data_3ayk_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 3ayk _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.486 1.076 0 CA-C-O 121.308 0.461 . . . . 2.7 112.438 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.442 HH11 HG21 ' A' ' 159' ' ' ILE . 8.9 mtt180 -146.48 164.6 31.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.282 -0.886 . . . . 3.87 109.009 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -81.41 120.83 25.48 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.032 -1.042 . . . . 0.54 109.176 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -83.26 -10.98 58.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.361 -0.837 . . . . 1.79 109.695 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -83.11 152.75 25.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.868 . . . . 2.04 109.325 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p -95.63 -4.69 43.99 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.162 -0.961 . . . . 1.19 109.388 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.571 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 50.2 m-70 -127.02 138.98 53.33 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.503 -0.925 . . . . 2.12 108.503 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 mt -130.32 154.41 47.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.455 -0.778 . . . . 1.1 109.222 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.5 p -124.97 149.66 47.46 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.773 -0.825 . . . . 1.11 108.773 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -139.53 159.68 41.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.524 -0.735 . . . . 1.03 109.203 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -150.75 137.49 18.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.358 -0.839 . . . . 3.08 109.81 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.7 mt -91.17 124.33 43.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.586 -0.894 . . . . 1.14 108.586 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.97 -45.37 85.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.153 -0.967 . . . . 1.92 109.595 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -161.62 156.83 23.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.373 -0.83 . . . . 2.48 109.39 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -97.46 141.97 29.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.422 -0.799 . . . . 0.94 109.639 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 t -75.31 140.57 72.8 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.136 -0.978 . . . . 1.14 109.687 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -61.8 -13.93 33.48 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 120.579 0.853 . . . . 0.46 112.672 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.13 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.145 -0.972 . . . . 1.2 109.867 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.2 mt -138.71 150.0 64.22 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.396 -0.815 . . . . 1.16 108.916 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.17 -177.05 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 120.602 0.868 . . . . 0.45 112.717 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -88.53 -38.97 14.51 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.496 -0.752 . . . . 3.09 109.223 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.89 71.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 1.23 109.54 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.0 -39.97 75.57 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.205 -0.934 . . . . 1.26 109.852 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.99 -42.31 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.145 -0.972 . . . . 1.14 109.635 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -41.27 90.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 1.96 109.208 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -59.91 -49.41 77.81 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.283 -1.006 . . . . 1.0 108.283 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.81 82.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.522 -0.736 . . . . 1.1 110.204 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.89 -39.97 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.843 -1.161 . . . . 1.1 109.931 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -68.01 -40.03 83.06 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.946 -1.096 . . . . 1.34 108.755 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -60.6 -40.75 92.94 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.22 -0.925 . . . . 2.78 110.541 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.59 92.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.937 -1.102 . . . . 1.04 109.46 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 33.3 m-85 -60.14 -40.7 90.76 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.022 -1.071 . . . . 0.33 109.548 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.584 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 46.7 mt-30 -61.15 -41.82 97.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.07 -1.019 . . . . 2.68 109.862 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.02 -40.01 83.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.848 -1.157 . . . . 1.06 109.452 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.446 ' O ' ' OG1' ' A' ' 45' ' ' THR . 94.2 m95 -75.43 -40.03 58.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.951 -1.093 . . . . 0.33 109.589 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -70.4 -34.01 72.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.842 -1.161 . . . . 0.99 110.064 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 39' ' ' GLN . 40.3 m-80 -59.35 -21.98 60.63 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.264 -0.897 . . . . 2.05 111.115 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.4 m -117.07 1.46 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.397 -0.815 . . . . 1.15 110.275 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 41' ' ' TRP . 41.4 p -138.55 140.03 26.55 Favored Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.154 -0.966 . . . . 1.14 109.668 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.57 6.13 0.21 Allowed 'Trans proline' 0 N--CA 1.494 1.541 0 CA-C-N 119.636 0.906 . . . . 0.43 112.696 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' H ' ' C ' ' A' ' 45' ' ' THR . 73.5 mt -71.2 152.94 42.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.051 -1.03 . . . . 1.1 109.468 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.571 ' OG1' ' ND1' ' A' ' 13' ' ' HIS . 36.7 p -129.47 149.65 51.15 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 109.045 -0.724 . . . . 1.16 109.045 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CD2' ' CD1' ' A' ' 38' ' ' PHE . 96.0 m-85 -125.63 155.16 41.23 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.264 -0.643 . . . . 0.4 109.264 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -154.14 131.63 11.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.206 -0.934 . . . . 1.21 109.859 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -79.43 139.16 37.77 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.443 -0.786 . . . . 2.5 109.61 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -122.24 132.32 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.245 -0.65 . . . . 1.18 109.245 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -96.7 3.87 52.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.106 -0.996 . . . . 1.16 110.039 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -151.97 159.33 43.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.205 -0.935 . . . . 2.0 109.438 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.52 171.12 35.74 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.443 -1.463 . . . . 0.69 109.443 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -81.18 147.67 29.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.219 -1.165 . . . . 3.17 109.238 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.8 149.61 30.31 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.015 -0.735 . . . . 1.1 109.015 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.0 -40.06 87.92 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 1.14 109.554 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.9 mt -117.99 119.68 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.652 -0.87 . . . . 1.1 108.652 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 53.1 mtp -103.19 130.35 50.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.633 -0.667 . . . . 1.32 109.423 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.1 mt -115.01 129.66 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 109.031 -0.729 . . . . 1.14 109.031 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.2 p -149.99 156.48 41.78 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.395 -0.816 . . . . 0.91 109.28 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -105.98 140.51 38.86 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.111 -0.7 . . . . 0.36 109.111 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.55 166.89 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.405 -0.809 . . . . 1.12 110.372 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' GLY . 26.2 mtm180 -137.54 149.23 46.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.553 -0.717 . . . . 3.48 110.198 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ARG . . . 42.07 -140.61 1.8 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.765 -1.334 . . . . 0.49 109.765 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.56 129.16 35.3 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.423 -1.045 . . . . 1.32 109.276 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.455 ' N ' ' ND1' ' A' ' 68' ' ' HIS . 12.8 p-80 -131.49 51.29 2.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.672 -0.642 . . . . 0.58 109.467 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 59.77 52.33 5.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.57 -0.706 . . . . 4.07 109.652 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.99 161.51 37.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.441 -0.787 . . . . 2.4 109.377 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 1.6 m-20 -89.55 8.8 29.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.381 -0.825 . . . . 2.84 109.674 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -137.01 65.48 52.08 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.466 -0.771 . . . . 1.69 109.607 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.8 147.42 95.29 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.097 1.198 . . . . 0.7 112.427 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -75.95 142.81 41.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.231 -0.918 . . . . 0.49 109.113 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -112.2 72.92 0.79 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.595 -0.691 . . . . 1.49 109.525 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.7 -171.56 51.77 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.722 -1.351 . . . . 0.79 109.722 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.87 -11.79 22.74 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 121.312 1.341 . . . . 0.95 112.383 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.07 178.75 43.64 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.375 -1.49 . . . . 0.68 109.375 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.29 -155.94 27.72 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.735 -1.346 . . . . 0.65 109.735 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.614 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 0.2 OUTLIER -76.6 146.01 38.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.483 -1.01 . . . . 2.8 109.316 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.4 mt -92.99 -15.03 26.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 1.14 109.238 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -172.29 166.99 5.87 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.215 -0.928 . . . . 1.07 109.177 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -161.89 179.43 8.06 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.173 -0.955 . . . . 0.6 108.992 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.64 164.68 29.12 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 1.3 109.197 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.25 151.42 19.88 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.533 0.682 . . . . 0.86 109.827 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -59.2 151.85 55.55 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.583 -0.698 . . . . 2.44 109.389 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.01 100.68 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.324 0 C-N-CA 120.536 0.824 . . . . 0.81 112.639 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.06 167.56 33.33 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.499 -1.334 . . . . 0.71 109.903 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.91 170.98 7.97 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 120.991 1.127 . . . . 1.19 112.17 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.85 -126.25 20.7 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.228 -1.149 . . . . 0.83 110.228 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.434 ' O ' ' OD1' ' A' ' 94' ' ' ASP . 21.1 tt -77.67 -9.35 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -1.165 . . . . 1.18 109.911 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.31 137.74 47.54 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.617 -1.393 . . . . 0.44 109.617 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.02 -18.85 55.9 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.388 -1.485 . . . . 0.4 109.388 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 91' ' ' ILE . 2.2 m-20 -64.85 153.71 39.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.269 -1.136 . . . . 1.16 109.48 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.75 124.81 22.89 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.728 -0.841 . . . . 1.12 108.728 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -106.17 141.95 36.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.722 -0.611 . . . . 0.55 109.883 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.401 ' CZ ' ' OE2' ' A' ' 119' ' ' GLU . 35.4 m-85 -119.59 133.58 55.59 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.255 0.55 . . . . 0.32 109.585 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 100' ' ' ASP . 28.3 t0 -66.12 119.78 12.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.491 -0.756 . . . . 0.73 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -100.39 0.84 40.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.582 -0.699 . . . . 1.59 109.503 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 93.4 m-20 -73.72 -19.76 60.71 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.916 -1.115 . . . . 1.21 108.81 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -101.56 159.74 15.04 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.83 -0.804 . . . . 1.39 108.83 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -86.29 128.81 34.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.13 -0.981 . . . . 3.61 109.549 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -96.11 140.83 30.26 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.567 -0.708 . . . . 0.4 109.626 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 110' ' ' TYR . 75.3 p -122.57 170.04 10.41 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.112 -0.699 . . . . 1.21 109.112 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.412 ' C ' HD21 ' A' ' 106' ' ' ASN . 90.3 m-20 -113.24 26.33 10.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.727 -0.608 . . . . 2.16 109.994 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.724 ' N ' HD21 ' A' ' 106' ' ' ASN . 0.0 OUTLIER -155.37 -177.9 6.88 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.048 -1.033 . . . . 2.01 110.279 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.554 ' CD1' ' N ' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -61.98 34.35 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.587 -0.696 . . . . 4.31 110.857 -178.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.562 ' H ' ' C ' ' A' ' 106' ' ' ASN . 3.4 mtt180 -74.88 -161.39 0.13 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.529 -1.357 . . . . 3.56 108.646 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -49.91 -58.32 5.66 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.632 -0.667 . . . . 2.32 109.798 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.494 ' O ' ' OG1' ' A' ' 104' ' ' THR . 89.8 m-85 -115.18 169.69 8.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 1.57 109.552 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 106' ' ' ASN . 3.7 m-20 -141.27 116.06 9.72 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.687 -0.857 . . . . 2.83 108.687 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.2 tp -67.27 -50.22 61.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.344 -0.847 . . . . 1.14 111.343 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -52.14 -43.88 64.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.108 -0.995 . . . . 1.43 109.672 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.639 ' NH2' ' HG ' ' A' ' 143' ' ' SER . 41.6 ttt180 -60.0 -47.44 85.82 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.613 -0.679 . . . . 4.19 110.686 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 90.8 t -67.21 -37.36 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 107.643 -1.243 . . . . 1.14 107.643 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.41 91.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.376 -0.827 . . . . 1.12 108.981 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.91 92.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 1.07 109.57 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.467 ' CD2' ' O48' ' A' ' 173' ' ' CGS . 4.2 t60 -70.02 -48.33 58.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 1.05 109.803 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.401 ' OE2' ' CZ ' ' A' ' 97' ' ' PHE . 1.3 mt-10 -57.32 -40.07 77.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.903 -1.123 . . . . 1.95 109.501 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.6 -38.86 91.82 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.361 -0.837 . . . . 1.09 108.829 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -57.89 -40.01 92.49 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.268 -1.533 . . . . 0.29 109.268 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -64.82 -39.35 93.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -1.165 . . . . 0.81 109.267 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.2 p -70.02 -21.33 63.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 1.76 109.319 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.4 mt -85.23 -4.61 59.21 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.221 -0.924 . . . . 1.1 108.982 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 88.91 14.52 60.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.074 -1.21 . . . . 0.4 110.074 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.4 mt -84.57 130.06 34.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.914 -1.345 . . . . 1.11 109.191 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.5 m -87.85 170.19 11.4 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.758 -0.589 . . . . 1.05 109.64 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -67.53 156.82 35.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.328 -0.858 . . . . 1.56 109.692 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.8 t -127.06 164.74 20.88 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.359 -0.608 . . . . 1.1 109.359 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 75.4 p -103.96 11.25 35.69 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.576 -0.702 . . . . 1.29 109.7 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -83.89 130.07 34.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.201 -0.937 . . . . 1.33 109.716 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.6 mt -60.02 -39.31 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.154 -0.966 . . . . 2.23 110.032 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.78 -0.06 73.17 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.824 -1.179 . . . . 0.72 110.871 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -83.26 132.77 35.02 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.657 -1.496 . . . . 1.1 109.418 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' A' ' 137' ' ' TYR . 44.7 mt -69.95 -24.15 63.3 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.264 -0.897 . . . . 1.22 108.752 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 87.7 mmm -73.51 47.48 0.23 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.27 -0.894 . . . . 1.26 108.623 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.442 ' H ' ' C ' ' A' ' 135' ' ' LEU . 11.7 t80 -67.78 136.0 92.41 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.278 -0.889 . . . . 1.51 109.01 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -53.45 -48.59 21.1 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 CA-C-N 119.792 0.962 . . . . 1.13 112.953 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 70.9 p -105.0 176.22 5.24 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.502 -0.749 . . . . 1.8 110.235 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -85.59 116.17 23.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.024 -1.047 . . . . 1.43 108.611 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 39.9 p -131.92 148.08 52.51 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.6 0.714 . . . . 1.44 109.565 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.68 ' CD1' ' O ' ' A' ' 142' ' ' PHE . 0.0 OUTLIER -88.71 124.19 33.87 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.627 -0.879 . . . . 4.92 108.627 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.639 ' HG ' ' NH2' ' A' ' 114' ' ' ARG . 56.1 p -109.75 -128.69 0.28 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.838 -1.164 . . . . 3.83 107.907 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.471 ' N ' ' OG ' ' A' ' 143' ' ' SER . . . -125.31 -104.97 1.52 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.229 -1.548 . . . . 2.14 109.229 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -85.26 153.55 22.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.341 -1.094 . . . . 2.48 110.171 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 57.4 t -89.24 104.89 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.675 -0.861 . . . . 1.41 108.675 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -144.67 154.89 43.25 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.748 -0.834 . . . . 2.39 108.748 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.0 mt -75.03 144.31 43.11 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.099 -1.001 . . . . 1.09 109.149 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.63 160.15 15.53 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.477 -0.764 . . . . 1.14 109.048 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.02 -39.97 87.68 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.365 -0.835 . . . . 1.95 108.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -57.53 -40.04 77.92 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.284 -0.885 . . . . 1.2 108.965 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -74.16 -40.16 62.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.126 -0.984 . . . . 1.11 109.763 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.64 -50.0 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.002 -1.061 . . . . 1.59 109.207 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.13 -39.77 87.44 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.861 -1.149 . . . . 1.18 109.565 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.95 -58.2 11.62 Favored Glycine 0 N--CA 1.494 2.509 0 C-N-CA 120.273 -0.965 . . . . 0.45 110.923 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 9.3 tp -61.18 -39.98 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.919 -1.342 . . . . 1.14 109.617 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 161' ' ' GLY . 97.2 mt-30 -65.48 -40.01 92.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.928 -1.108 . . . . 1.96 109.581 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.51 94.41 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.044 -1.035 . . . . 1.16 109.159 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . 0.442 HG21 HH11 ' A' ' 8' ' ' ARG . 87.7 mt -60.55 -50.94 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.268 -0.895 . . . . 1.16 110.066 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -99.29 -68.08 0.82 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.475 -0.766 . . . . 1.0 109.625 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 157' ' ' GLN . . . 161.76 -170.59 37.51 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.42 -1.472 . . . . 0.5 109.42 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -92.46 149.18 21.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.259 -1.142 . . . . 3.62 109.851 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.293 -0.879 . . . . 1.09 109.436 179.691 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' CGS . . . . . 0.467 ' O48' ' CD2' ' A' ' 118' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.486 1.076 0 CA-C-O 121.308 0.461 . . . . 2.22 112.438 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.729 HH11 HG23 ' A' ' 159' ' ' ILE . 8.9 mtt180 -146.48 164.6 31.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.282 -0.886 . . . . 3.24 109.009 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -81.41 120.83 25.48 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.032 -1.042 . . . . 0.5 109.176 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -83.26 -10.98 58.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.361 -0.837 . . . . 1.79 109.695 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -83.11 152.75 25.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.868 . . . . 1.58 109.325 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p -95.63 -4.69 43.99 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.162 -0.961 . . . . 0.59 109.388 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.539 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 50.2 m-70 -127.02 138.98 53.33 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.503 -0.925 . . . . 1.23 108.503 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 mt -130.32 154.41 47.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.455 -0.778 . . . . 0.34 109.222 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.5 p -124.97 149.66 47.46 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.773 -0.825 . . . . 0.33 108.773 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -139.53 159.68 41.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.524 -0.735 . . . . 0.5 109.203 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -150.75 137.49 18.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.358 -0.839 . . . . 2.55 109.81 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.7 mt -91.17 124.33 43.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.586 -0.894 . . . . 0.33 108.586 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.97 -45.37 85.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.153 -0.967 . . . . 1.92 109.595 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -161.62 156.83 23.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.373 -0.83 . . . . 2.28 109.39 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -97.46 141.97 29.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.422 -0.799 . . . . 0.41 109.639 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 t -75.31 140.57 72.8 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.136 -0.978 . . . . 0.42 109.687 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -61.8 -13.93 33.48 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 120.579 0.853 . . . . 0.42 112.672 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.13 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.145 -0.972 . . . . 1.2 109.867 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 103' ' ' TRP . 27.2 mt -138.71 150.0 64.22 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.396 -0.815 . . . . 0.48 108.916 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.17 -177.05 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 120.602 0.868 . . . . 0.4 112.717 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -88.53 -38.97 14.51 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.496 -0.752 . . . . 2.62 109.223 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.89 71.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.55 109.54 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.0 -39.97 75.57 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.205 -0.934 . . . . 1.26 109.852 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.99 -42.31 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.145 -0.972 . . . . 0.37 109.635 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -41.27 90.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 1.96 109.208 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -59.91 -49.41 77.81 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.283 -1.006 . . . . 0.86 108.283 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.81 82.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.522 -0.736 . . . . 0.33 110.204 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.89 -39.97 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.843 -1.161 . . . . 0.37 109.931 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -68.01 -40.03 83.06 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.946 -1.096 . . . . 1.34 108.755 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -60.6 -40.75 92.94 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.22 -0.925 . . . . 2.34 110.541 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.59 92.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.937 -1.102 . . . . 0.27 109.46 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 33.3 m-85 -60.14 -40.7 90.76 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.022 -1.071 . . . . 0.31 109.548 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' O ' ' OD1' ' A' ' 43' ' ' ASN . 46.7 mt-30 -61.15 -41.82 97.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.07 -1.019 . . . . 1.98 109.862 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.02 -40.01 83.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.848 -1.157 . . . . 0.25 109.452 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -75.43 -40.03 58.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.951 -1.093 . . . . 0.3 109.589 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -70.4 -34.01 72.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.842 -1.161 . . . . 0.34 110.064 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 39' ' ' GLN . 11.9 m120 -59.35 -21.98 60.63 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.264 -0.897 . . . . 1.25 111.115 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG23 HG23 ' A' ' 45' ' ' THR . 16.4 m -117.07 1.46 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.397 -0.815 . . . . 0.42 110.275 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 47' ' ' LEU . 41.4 p -138.55 140.03 26.55 Favored Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.154 -0.966 . . . . 0.45 109.668 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.57 6.13 0.21 Allowed 'Trans proline' 0 N--CA 1.494 1.541 0 CA-C-N 119.636 0.906 . . . . 0.39 112.696 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 45' ' ' THR . 73.5 mt -71.2 152.94 42.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.051 -1.03 . . . . 0.37 109.468 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.539 ' OG1' ' ND1' ' A' ' 13' ' ' HIS . 36.7 p -129.47 149.65 51.15 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 109.045 -0.724 . . . . 0.38 109.045 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CD2' ' CD1' ' A' ' 38' ' ' PHE . 96.0 m-85 -125.63 155.16 41.23 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.264 -0.643 . . . . 0.4 109.264 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -154.14 131.63 11.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.206 -0.934 . . . . 0.51 109.859 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -79.43 139.16 37.77 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.443 -0.786 . . . . 1.93 109.61 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -122.24 132.32 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.245 -0.65 . . . . 0.41 109.245 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -96.7 3.87 52.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.106 -0.996 . . . . 0.66 110.039 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -151.97 159.33 43.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.205 -0.935 . . . . 2.0 109.438 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.52 171.12 35.74 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.443 -1.463 . . . . 0.61 109.443 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -81.18 147.67 29.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.219 -1.165 . . . . 2.63 109.238 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.8 149.61 30.31 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.015 -0.735 . . . . 0.37 109.015 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.0 -40.06 87.92 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 1.14 109.554 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.9 mt -117.99 119.68 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.652 -0.87 . . . . 0.34 108.652 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 53.1 mtp -103.19 130.35 50.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.633 -0.667 . . . . 1.18 109.423 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.1 mt -115.01 129.66 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 109.031 -0.729 . . . . 0.4 109.031 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.2 p -149.99 156.48 41.78 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.395 -0.816 . . . . 0.33 109.28 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -105.98 140.51 38.86 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.111 -0.7 . . . . 0.32 109.111 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.55 166.89 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.405 -0.809 . . . . 0.38 110.372 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' GLY . 26.2 mtm180 -137.54 149.23 46.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.553 -0.717 . . . . 2.97 110.198 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ARG . . . 42.07 -140.61 1.8 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.765 -1.334 . . . . 0.43 109.765 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.56 129.16 35.3 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.423 -1.045 . . . . 1.32 109.276 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.455 ' N ' ' ND1' ' A' ' 68' ' ' HIS . 12.8 p-80 -131.49 51.29 2.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.672 -0.642 . . . . 0.58 109.467 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 59.77 52.33 5.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.57 -0.706 . . . . 3.44 109.652 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.99 161.51 37.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.441 -0.787 . . . . 2.4 109.377 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 1.6 m-20 -89.55 8.8 29.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.381 -0.825 . . . . 2.27 109.674 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -137.01 65.48 52.08 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.466 -0.771 . . . . 1.33 109.607 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.8 147.42 95.29 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.097 1.198 . . . . 0.62 112.427 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -75.95 142.81 41.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.231 -0.918 . . . . 0.49 109.113 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -112.2 72.92 0.79 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.595 -0.691 . . . . 1.49 109.525 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.7 -171.56 51.77 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.722 -1.351 . . . . 0.63 109.722 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.87 -11.79 22.74 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 121.312 1.341 . . . . 0.81 112.383 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.07 178.75 43.64 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.375 -1.49 . . . . 0.57 109.375 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.29 -155.94 27.72 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.735 -1.346 . . . . 0.53 109.735 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.645 HD22 HG12 ' A' ' 173' ' ' CGS . 0.2 OUTLIER -76.6 146.01 38.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.483 -1.01 . . . . 2.15 109.316 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.4 mt -92.99 -15.03 26.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.42 109.238 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -172.29 166.99 5.87 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.215 -0.928 . . . . 0.31 109.177 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -161.89 179.43 8.06 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.173 -0.955 . . . . 0.6 108.992 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.64 164.68 29.12 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 0.72 109.197 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.25 151.42 19.88 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.533 0.682 . . . . 0.78 109.827 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -59.2 151.85 55.55 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.583 -0.698 . . . . 1.99 109.389 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.01 100.68 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.324 0 C-N-CA 120.536 0.824 . . . . 0.67 112.639 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.06 167.56 33.33 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.499 -1.334 . . . . 0.59 109.903 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.91 170.98 7.97 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 120.991 1.127 . . . . 1.03 112.17 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.85 -126.25 20.7 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.228 -1.149 . . . . 0.7 110.228 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.434 ' O ' ' OD1' ' A' ' 94' ' ' ASP . 21.1 tt -77.67 -9.35 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -1.165 . . . . 0.59 109.911 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.31 137.74 47.54 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.617 -1.393 . . . . 0.38 109.617 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.02 -18.85 55.9 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.388 -1.485 . . . . 0.35 109.388 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 91' ' ' ILE . 2.2 m-20 -64.85 153.71 39.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.269 -1.136 . . . . 1.16 109.48 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.75 124.81 22.89 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.728 -0.841 . . . . 0.42 108.728 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -106.17 141.95 36.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.722 -0.611 . . . . 0.43 109.883 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.401 ' CZ ' ' OE2' ' A' ' 119' ' ' GLU . 35.4 m-85 -119.59 133.58 55.59 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.255 0.55 . . . . 0.27 109.585 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 100' ' ' ASP . 28.3 t0 -66.12 119.78 12.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.491 -0.756 . . . . 0.73 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -100.39 0.84 40.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.582 -0.699 . . . . 1.59 109.503 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 93.4 m-20 -73.72 -19.76 60.71 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.916 -1.115 . . . . 1.21 108.81 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -101.56 159.74 15.04 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.83 -0.804 . . . . 1.39 108.83 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -86.29 128.81 34.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.13 -0.981 . . . . 3.05 109.549 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.483 ' O ' HD11 ' A' ' 25' ' ' LEU . 92.6 m95 -96.11 140.83 30.26 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.567 -0.708 . . . . 0.37 109.626 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 110' ' ' TYR . 75.3 p -122.57 170.04 10.41 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.112 -0.699 . . . . 0.51 109.112 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -113.24 26.33 10.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.727 -0.608 . . . . 1.46 109.994 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.522 ' C ' ' H ' ' A' ' 108' ' ' ARG . 6.8 p-10 -155.37 -177.9 6.88 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.048 -1.033 . . . . 1.28 110.279 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -61.98 34.35 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.587 -0.696 . . . . 3.46 110.857 -178.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.522 ' H ' ' C ' ' A' ' 106' ' ' ASN . 3.4 mtt180 -74.88 -161.39 0.13 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.529 -1.357 . . . . 2.91 108.646 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -49.91 -58.32 5.66 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.632 -0.667 . . . . 2.32 109.798 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.494 ' O ' ' OG1' ' A' ' 104' ' ' THR . 89.8 m-85 -115.18 169.69 8.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 1.31 109.552 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 106' ' ' ASN . 3.7 m-20 -141.27 116.06 9.72 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.687 -0.857 . . . . 2.18 108.687 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.2 tp -67.27 -50.22 61.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.344 -0.847 . . . . 0.36 111.343 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -52.14 -43.88 64.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.108 -0.995 . . . . 0.88 109.672 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.508 HH12 ' H ' ' A' ' 143' ' ' SER . 41.6 ttt180 -60.0 -47.44 85.82 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.613 -0.679 . . . . 3.66 110.686 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 90.8 t -67.21 -37.36 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 107.643 -1.243 . . . . 0.36 107.643 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.41 91.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.376 -0.827 . . . . 0.27 108.981 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.91 92.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 0.34 109.57 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.467 ' CD2' ' O48' ' A' ' 173' ' ' CGS . 4.2 t60 -70.02 -48.33 58.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 0.7 109.803 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.401 ' OE2' ' CZ ' ' A' ' 97' ' ' PHE . 1.3 mt-10 -57.32 -40.07 77.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.903 -1.123 . . . . 1.95 109.501 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.6 -38.86 91.82 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.361 -0.837 . . . . 0.4 108.829 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -57.89 -40.01 92.49 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.268 -1.533 . . . . 0.28 109.268 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -64.82 -39.35 93.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -1.165 . . . . 0.6 109.267 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.2 p -70.02 -21.33 63.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 1.31 109.319 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.4 mt -85.23 -4.61 59.21 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.221 -0.924 . . . . 0.37 108.982 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 88.91 14.52 60.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.074 -1.21 . . . . 0.36 110.074 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.4 mt -84.57 130.06 34.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.914 -1.345 . . . . 0.33 109.191 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.5 m -87.85 170.19 11.4 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.758 -0.589 . . . . 0.5 109.64 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -67.53 156.82 35.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.328 -0.858 . . . . 1.04 109.692 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.8 t -127.06 164.74 20.88 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.359 -0.608 . . . . 0.57 109.359 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 75.4 p -103.96 11.25 35.69 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.576 -0.702 . . . . 0.72 109.7 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 31.2 t0 -83.89 130.07 34.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.201 -0.937 . . . . 1.33 109.716 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.6 mt -60.02 -39.31 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.154 -0.966 . . . . 1.82 110.032 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.78 -0.06 73.17 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.824 -1.179 . . . . 0.67 110.871 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 131' ' ' ASP . . . -83.26 132.77 35.02 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.657 -1.496 . . . . 0.5 109.418 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 44.7 mt -69.95 -24.15 63.3 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.264 -0.897 . . . . 0.59 108.752 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 87.7 mmm -73.51 47.48 0.23 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.27 -0.894 . . . . 1.26 108.623 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -67.78 136.0 92.41 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.278 -0.889 . . . . 1.08 109.01 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -53.45 -48.59 21.1 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 CA-C-N 119.792 0.962 . . . . 1.13 112.953 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 70.9 p -105.0 176.22 5.24 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.502 -0.749 . . . . 1.34 110.235 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -85.59 116.17 23.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.024 -1.047 . . . . 1.19 108.611 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 39.9 p -131.92 148.08 52.51 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.6 0.714 . . . . 1.29 109.565 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.68 ' CD1' ' O ' ' A' ' 142' ' ' PHE . 0.0 OUTLIER -88.71 124.19 33.87 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.627 -0.879 . . . . 4.08 108.627 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.508 ' H ' HH12 ' A' ' 114' ' ' ARG . 56.1 p -109.75 -128.69 0.28 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.838 -1.164 . . . . 3.44 107.907 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.471 ' N ' ' OG ' ' A' ' 143' ' ' SER . . . -125.31 -104.97 1.52 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.229 -1.548 . . . . 1.69 109.229 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -85.26 153.55 22.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.341 -1.094 . . . . 2.48 110.171 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 57.4 t -89.24 104.89 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.675 -0.861 . . . . 0.88 108.675 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -144.67 154.89 43.25 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.748 -0.834 . . . . 1.88 108.748 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.0 mt -75.03 144.31 43.11 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.099 -1.001 . . . . 0.35 109.149 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.63 160.15 15.53 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.477 -0.764 . . . . 0.41 109.048 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.02 -39.97 87.68 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.365 -0.835 . . . . 1.52 108.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -57.53 -40.04 77.92 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.284 -0.885 . . . . 1.2 108.965 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -74.16 -40.16 62.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.126 -0.984 . . . . 1.11 109.763 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.64 -50.0 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.002 -1.061 . . . . 0.94 109.207 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.13 -39.77 87.44 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.861 -1.149 . . . . 1.18 109.565 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.95 -58.2 11.62 Favored Glycine 0 N--CA 1.494 2.509 0 C-N-CA 120.273 -0.965 . . . . 0.41 110.923 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 157' ' ' GLN . 9.3 tp -61.18 -39.98 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.919 -1.342 . . . . 0.37 109.617 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 161' ' ' GLY . 97.2 mt-30 -65.48 -40.01 92.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.928 -1.108 . . . . 1.36 109.581 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.51 94.41 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.044 -1.035 . . . . 0.48 109.159 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.729 HG23 HH11 ' A' ' 8' ' ' ARG . 87.7 mt -60.55 -50.94 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.268 -0.895 . . . . 0.5 110.066 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -99.29 -68.08 0.82 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.475 -0.766 . . . . 0.59 109.625 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 157' ' ' GLN . . . 161.76 -170.59 37.51 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.42 -1.472 . . . . 0.46 109.42 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -92.46 149.18 21.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.259 -1.142 . . . . 3.13 109.851 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.293 -0.879 . . . . 0.9 109.436 179.691 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 173' ' ' CGS . . . . . 0.645 HG12 HD22 ' A' ' 80' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.486 1.076 0 CA-C-O 121.308 0.461 . . . . 2.22 112.438 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.729 HH11 HG23 ' A' ' 159' ' ' ILE . 8.9 mtt180 -146.48 164.6 31.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.282 -0.886 . . . . 3.24 109.009 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -81.41 120.83 25.48 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.032 -1.042 . . . . 0.5 109.176 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -83.26 -10.98 58.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.361 -0.837 . . . . 1.79 109.695 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -83.11 152.75 25.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.868 . . . . 1.58 109.325 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.2 p -95.63 -4.69 43.99 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.162 -0.961 . . . . 0.59 109.388 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.539 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 50.2 m-70 -127.02 138.98 53.33 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.503 -0.925 . . . . 1.23 108.503 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 mt -130.32 154.41 47.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.455 -0.778 . . . . 0.34 109.222 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.5 p -124.97 149.66 47.46 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.773 -0.825 . . . . 0.33 108.773 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -139.53 159.68 41.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.524 -0.735 . . . . 0.5 109.203 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -150.75 137.49 18.96 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.358 -0.839 . . . . 2.55 109.81 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.7 mt -91.17 124.33 43.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.586 -0.894 . . . . 0.33 108.586 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -64.97 -45.37 85.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.153 -0.967 . . . . 1.92 109.595 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -161.62 156.83 23.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.373 -0.83 . . . . 2.28 109.39 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -97.46 141.97 29.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.422 -0.799 . . . . 0.41 109.639 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 t -75.31 140.57 72.8 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.136 -0.978 . . . . 0.42 109.687 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -61.8 -13.93 33.48 Favored 'Trans proline' 0 N--CA 1.492 1.406 0 C-N-CA 120.579 0.853 . . . . 0.42 112.672 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.13 -39.94 88.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.145 -0.972 . . . . 1.2 109.867 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 103' ' ' TRP . 27.2 mt -138.71 150.0 64.22 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.396 -0.815 . . . . 0.48 108.916 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.17 -177.05 0.14 Allowed 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 120.602 0.868 . . . . 0.4 112.717 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -88.53 -38.97 14.51 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.496 -0.752 . . . . 2.62 109.223 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.89 71.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.894 . . . . 0.55 109.54 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.0 -39.97 75.57 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.205 -0.934 . . . . 1.26 109.852 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.99 -42.31 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.145 -0.972 . . . . 0.37 109.635 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -41.27 90.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.16 -0.963 . . . . 1.96 109.208 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -59.91 -49.41 77.81 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.283 -1.006 . . . . 0.86 108.283 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.81 82.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.522 -0.736 . . . . 0.33 110.204 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.89 -39.97 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.843 -1.161 . . . . 0.37 109.931 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -68.01 -40.03 83.06 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.946 -1.096 . . . . 1.34 108.755 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -60.6 -40.75 92.94 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.22 -0.925 . . . . 2.34 110.541 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.59 92.51 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.937 -1.102 . . . . 0.27 109.46 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 33.3 m-85 -60.14 -40.7 90.76 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.022 -1.071 . . . . 0.31 109.548 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.58 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 46.7 mt-30 -61.15 -41.82 97.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.07 -1.019 . . . . 1.98 109.862 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.6 mt -59.02 -40.01 83.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.848 -1.157 . . . . 0.25 109.452 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -75.43 -40.03 58.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.951 -1.093 . . . . 0.3 109.589 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -70.4 -34.01 72.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.842 -1.161 . . . . 0.34 110.064 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.58 ' ND2' ' O ' ' A' ' 39' ' ' GLN . 40.3 m-80 -59.35 -21.98 60.63 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.264 -0.897 . . . . 1.25 111.115 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG23 HG23 ' A' ' 45' ' ' THR . 16.4 m -117.07 1.46 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.397 -0.815 . . . . 0.42 110.275 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 47' ' ' LEU . 41.4 p -138.55 140.03 26.55 Favored Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.154 -0.966 . . . . 0.45 109.668 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.57 6.13 0.21 Allowed 'Trans proline' 0 N--CA 1.494 1.541 0 CA-C-N 119.636 0.906 . . . . 0.39 112.696 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 45' ' ' THR . 73.5 mt -71.2 152.94 42.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.051 -1.03 . . . . 0.37 109.468 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.539 ' OG1' ' ND1' ' A' ' 13' ' ' HIS . 36.7 p -129.47 149.65 51.15 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 109.045 -0.724 . . . . 0.38 109.045 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.46 ' CD2' ' CD1' ' A' ' 38' ' ' PHE . 96.0 m-85 -125.63 155.16 41.23 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.264 -0.643 . . . . 0.4 109.264 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.5 m -154.14 131.63 11.32 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.206 -0.934 . . . . 0.51 109.859 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -79.43 139.16 37.77 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.443 -0.786 . . . . 1.93 109.61 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -122.24 132.32 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.245 -0.65 . . . . 0.41 109.245 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.1 t -96.7 3.87 52.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.106 -0.996 . . . . 0.66 110.039 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -151.97 159.33 43.79 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.205 -0.935 . . . . 2.0 109.438 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.52 171.12 35.74 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 109.443 -1.463 . . . . 0.61 109.443 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -81.18 147.67 29.91 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.219 -1.165 . . . . 2.63 109.238 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.8 149.61 30.31 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.015 -0.735 . . . . 0.37 109.015 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.0 -40.06 87.92 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 1.14 109.554 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.9 mt -117.99 119.68 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.652 -0.87 . . . . 0.34 108.652 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 53.1 mtp -103.19 130.35 50.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.633 -0.667 . . . . 1.18 109.423 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.1 mt -115.01 129.66 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 N-CA-C 109.031 -0.729 . . . . 0.4 109.031 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.2 p -149.99 156.48 41.78 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.395 -0.816 . . . . 0.33 109.28 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -105.98 140.51 38.86 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 109.111 -0.7 . . . . 0.32 109.111 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.55 166.89 27.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 121.405 -0.809 . . . . 0.38 110.372 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' GLY . 26.2 mtm180 -137.54 149.23 46.57 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.553 -0.717 . . . . 2.97 110.198 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' ARG . . . 42.07 -140.61 1.8 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.765 -1.334 . . . . 0.43 109.765 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.56 129.16 35.3 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.423 -1.045 . . . . 1.32 109.276 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.455 ' N ' ' ND1' ' A' ' 68' ' ' HIS . 12.8 p-80 -131.49 51.29 2.16 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.672 -0.642 . . . . 0.58 109.467 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 59.77 52.33 5.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.57 -0.706 . . . . 3.44 109.652 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.99 161.51 37.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.441 -0.787 . . . . 2.4 109.377 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 71' ' ' ASN . 1.6 m-20 -89.55 8.8 29.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.381 -0.825 . . . . 2.27 109.674 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 75.5 m -137.01 65.48 52.08 Favored Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.466 -0.771 . . . . 1.33 109.607 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.8 147.42 95.29 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.097 1.198 . . . . 0.62 112.427 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -75.95 142.81 41.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.231 -0.918 . . . . 0.49 109.113 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -112.2 72.92 0.79 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.595 -0.691 . . . . 1.49 109.525 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.7 -171.56 51.77 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.722 -1.351 . . . . 0.63 109.722 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.87 -11.79 22.74 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 121.312 1.341 . . . . 0.81 112.383 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.07 178.75 43.64 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.375 -1.49 . . . . 0.57 109.375 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.29 -155.94 27.72 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.735 -1.346 . . . . 0.53 109.735 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.645 HD22 HG12 ' A' ' 173' ' ' CGS . 0.2 OUTLIER -76.6 146.01 38.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.483 -1.01 . . . . 2.15 109.316 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.4 mt -92.99 -15.03 26.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.42 109.238 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -172.29 166.99 5.87 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.215 -0.928 . . . . 0.31 109.177 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -161.89 179.43 8.06 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.173 -0.955 . . . . 0.6 108.992 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -161.64 164.68 29.12 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 0.72 109.197 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.25 151.42 19.88 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.533 0.682 . . . . 0.78 109.827 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -59.2 151.85 55.55 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.583 -0.698 . . . . 1.99 109.389 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -58.01 100.68 0.11 Allowed 'Trans proline' 0 N--CA 1.491 1.324 0 C-N-CA 120.536 0.824 . . . . 0.67 112.639 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.06 167.56 33.33 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.499 -1.334 . . . . 0.59 109.903 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -63.91 170.98 7.97 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 120.991 1.127 . . . . 1.03 112.17 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.85 -126.25 20.7 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.228 -1.149 . . . . 0.7 110.228 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.434 ' O ' ' OD1' ' A' ' 94' ' ' ASP . 21.1 tt -77.67 -9.35 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -1.165 . . . . 0.59 109.911 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -61.31 137.74 47.54 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.617 -1.393 . . . . 0.38 109.617 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.02 -18.85 55.9 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.388 -1.485 . . . . 0.35 109.388 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 91' ' ' ILE . 2.2 m-20 -64.85 153.71 39.34 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.269 -1.136 . . . . 1.16 109.48 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.75 124.81 22.89 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.728 -0.841 . . . . 0.42 108.728 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -106.17 141.95 36.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.722 -0.611 . . . . 0.43 109.883 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.401 ' CZ ' ' OE2' ' A' ' 119' ' ' GLU . 35.4 m-85 -119.59 133.58 55.59 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.255 0.55 . . . . 0.27 109.585 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 100' ' ' ASP . 28.3 t0 -66.12 119.78 12.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.491 -0.756 . . . . 0.73 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -100.39 0.84 40.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.582 -0.699 . . . . 1.59 109.503 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 93.4 m-20 -73.72 -19.76 60.71 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.916 -1.115 . . . . 1.21 108.81 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -101.56 159.74 15.04 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.83 -0.804 . . . . 1.39 108.83 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -86.29 128.81 34.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.13 -0.981 . . . . 3.05 109.549 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.483 ' O ' HD11 ' A' ' 25' ' ' LEU . 92.6 m95 -96.11 140.83 30.26 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.567 -0.708 . . . . 0.37 109.626 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 110' ' ' TYR . 75.3 p -122.57 170.04 10.41 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.112 -0.699 . . . . 0.51 109.112 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.462 ' C ' HD22 ' A' ' 106' ' ' ASN . 90.3 m-20 -113.24 26.33 10.54 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.727 -0.608 . . . . 1.46 109.994 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.757 HD22 ' N ' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -155.37 -177.9 6.88 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.048 -1.033 . . . . 1.28 110.279 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 107' ' ' PHE . 0.1 OUTLIER -61.98 34.35 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.587 -0.696 . . . . 3.46 110.857 -178.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.522 ' H ' ' C ' ' A' ' 106' ' ' ASN . 3.4 mtt180 -74.88 -161.39 0.13 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.529 -1.357 . . . . 2.91 108.646 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -49.91 -58.32 5.66 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.632 -0.667 . . . . 2.32 109.798 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.494 ' O ' ' OG1' ' A' ' 104' ' ' THR . 89.8 m-85 -115.18 169.69 8.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 1.31 109.552 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 106' ' ' ASN . 3.7 m-20 -141.27 116.06 9.72 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.687 -0.857 . . . . 2.18 108.687 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.2 tp -67.27 -50.22 61.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.344 -0.847 . . . . 0.36 111.343 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -52.14 -43.88 64.25 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.108 -0.995 . . . . 0.88 109.672 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.508 HH12 ' H ' ' A' ' 143' ' ' SER . 41.6 ttt180 -60.0 -47.44 85.82 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.613 -0.679 . . . . 3.66 110.686 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 90.8 t -67.21 -37.36 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 107.643 -1.243 . . . . 0.36 107.643 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.41 91.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.376 -0.827 . . . . 0.27 108.981 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.61 -38.91 92.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.171 -0.956 . . . . 0.34 109.57 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.467 ' CD2' ' O48' ' A' ' 173' ' ' CGS . 4.2 t60 -70.02 -48.33 58.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.21 -0.931 . . . . 0.7 109.803 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.401 ' OE2' ' CZ ' ' A' ' 97' ' ' PHE . 1.3 mt-10 -57.32 -40.07 77.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.903 -1.123 . . . . 1.95 109.501 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.6 -38.86 91.82 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.361 -0.837 . . . . 0.4 108.829 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -57.89 -40.01 92.49 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.268 -1.533 . . . . 0.28 109.268 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -64.82 -39.35 93.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -1.165 . . . . 0.6 109.267 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.2 p -70.02 -21.33 63.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 1.31 109.319 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.4 mt -85.23 -4.61 59.21 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.221 -0.924 . . . . 0.37 108.982 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 88.91 14.52 60.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.074 -1.21 . . . . 0.36 110.074 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 52.4 mt -84.57 130.06 34.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.914 -1.345 . . . . 0.33 109.191 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.5 m -87.85 170.19 11.4 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.758 -0.589 . . . . 0.5 109.64 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -67.53 156.82 35.77 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.328 -0.858 . . . . 1.04 109.692 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 30.8 t -127.06 164.74 20.88 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 109.359 -0.608 . . . . 0.57 109.359 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 75.4 p -103.96 11.25 35.69 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.576 -0.702 . . . . 0.72 109.7 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 134' ' ' ALA . 31.2 t0 -83.89 130.07 34.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.201 -0.937 . . . . 1.33 109.716 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.6 mt -60.02 -39.31 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.154 -0.966 . . . . 1.82 110.032 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.78 -0.06 73.17 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.824 -1.179 . . . . 0.67 110.871 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.406 ' HB2' ' HB3' ' A' ' 131' ' ' ASP . . . -83.26 132.77 35.02 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.657 -1.496 . . . . 0.5 109.418 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 44.7 mt -69.95 -24.15 63.3 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.264 -0.897 . . . . 0.59 108.752 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 87.7 mmm -73.51 47.48 0.23 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.27 -0.894 . . . . 1.26 108.623 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -67.78 136.0 92.41 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.278 -0.889 . . . . 1.08 109.01 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -53.45 -48.59 21.1 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 CA-C-N 119.792 0.962 . . . . 1.13 112.953 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 70.9 p -105.0 176.22 5.24 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.502 -0.749 . . . . 1.34 110.235 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -85.59 116.17 23.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.024 -1.047 . . . . 1.19 108.611 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 39.9 p -131.92 148.08 52.51 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.6 0.714 . . . . 1.29 109.565 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.68 ' CD1' ' O ' ' A' ' 142' ' ' PHE . 0.0 OUTLIER -88.71 124.19 33.87 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 108.627 -0.879 . . . . 4.08 108.627 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.508 ' H ' HH12 ' A' ' 114' ' ' ARG . 56.1 p -109.75 -128.69 0.28 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.838 -1.164 . . . . 3.44 107.907 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.471 ' N ' ' OG ' ' A' ' 143' ' ' SER . . . -125.31 -104.97 1.52 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.229 -1.548 . . . . 1.69 109.229 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -85.26 153.55 22.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.341 -1.094 . . . . 2.48 110.171 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 57.4 t -89.24 104.89 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.675 -0.861 . . . . 0.88 108.675 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -144.67 154.89 43.25 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.748 -0.834 . . . . 1.88 108.748 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 62.0 mt -75.03 144.31 43.11 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.099 -1.001 . . . . 0.35 109.149 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.63 160.15 15.53 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.477 -0.764 . . . . 0.41 109.048 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.02 -39.97 87.68 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.365 -0.835 . . . . 1.52 108.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -57.53 -40.04 77.92 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.284 -0.885 . . . . 1.2 108.965 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -74.16 -40.16 62.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.126 -0.984 . . . . 1.11 109.763 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.64 -50.0 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.002 -1.061 . . . . 0.94 109.207 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.13 -39.77 87.44 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.861 -1.149 . . . . 1.18 109.565 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.95 -58.2 11.62 Favored Glycine 0 N--CA 1.494 2.509 0 C-N-CA 120.273 -0.965 . . . . 0.41 110.923 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 157' ' ' GLN . 9.3 tp -61.18 -39.98 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.919 -1.342 . . . . 0.37 109.617 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 161' ' ' GLY . 97.2 mt-30 -65.48 -40.01 92.61 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.928 -1.108 . . . . 1.36 109.581 179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.51 94.41 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.044 -1.035 . . . . 0.48 109.159 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.729 HG23 HH11 ' A' ' 8' ' ' ARG . 87.7 mt -60.55 -50.94 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.268 -0.895 . . . . 0.5 110.066 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -99.29 -68.08 0.82 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.475 -0.766 . . . . 0.59 109.625 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 157' ' ' GLN . . . 161.76 -170.59 37.51 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.42 -1.472 . . . . 0.46 109.42 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -92.46 149.18 21.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.259 -1.142 . . . . 3.13 109.851 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.293 -0.879 . . . . 0.9 109.436 179.691 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' CGS . . . . . 0.645 HG12 HD22 ' A' ' 80' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_