data_1dsw_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 1dsw _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.405 . . . . . . . 0 CA--C 1.516 -0.359 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -36.78 -42.25 0.37 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.497 1.919 . . . . 0.0 114.49 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -113.25 140.65 47.79 Favored 'General case' 0 C--N 1.346 0.445 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -167.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.07 163.92 31.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.853 1.661 . . . . 0.0 108.25 168.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.24 150.63 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 126.089 1.755 . . . . 0.0 106.818 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.89 121.14 23.56 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 118.583 0.629 . . . . 0.0 109.388 169.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.7 m -88.19 91.52 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.667 1.187 . . . . 0.0 108.476 175.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.5 mt -70.59 132.77 45.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -157.92 164.78 36.53 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.72 -154.25 6.52 Favored Glycine 0 C--O 1.242 0.654 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 169.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -72.04 -48.95 40.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.873 1.669 . . . . 0.0 108.29 171.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.22 166.2 20.29 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.388 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.88 -15.48 40.38 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.536 2.824 . . . . 0.0 112.137 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.42 117.53 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 124.389 1.076 . . . . 0.0 108.495 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -145.5 154.55 42.33 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 172.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.65 153.02 24.17 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 mp -114.15 110.16 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mm -95.08 149.65 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -135.1 141.29 46.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.136 2.174 . . . . 0.0 105.643 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -125.34 132.55 52.81 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -130.97 113.54 14.11 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -99.03 109.31 22.07 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 171.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -84.61 25.7 0.87 Allowed 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.758 -0.589 . . . . 0.0 111.399 -173.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.91 -169.37 0.4 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.3 m -103.58 -44.05 5.21 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.73 1.612 . . . . 0.0 109.84 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -107.13 4.46 26.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.842 1.657 . . . . 0.0 111.855 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.57 165.88 50.33 Favored Glycine 0 C--N 1.336 0.545 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -61.71 157.78 40.77 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 121.948 1.766 . . . . 0.0 110.395 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 t -101.8 113.86 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 N-CA-C 104.297 -2.482 . . . . 0.0 104.297 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -81.39 114.55 20.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -100.83 132.05 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 17.0 p90 -142.74 155.17 44.82 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.22 174.38 46.69 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 119.006 -1.568 . . . . 0.0 111.143 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 p -138.19 127.27 24.2 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.4 mp -110.5 143.22 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 104.791 -2.299 . . . . 0.0 104.791 169.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -142.19 113.78 7.86 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 124.936 1.295 . . . . 0.0 107.92 -169.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.65 17.77 3.8 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 124.622 1.106 . . . . 0.0 114.579 166.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.6 177.06 5.62 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.624 1.212 . . . . 0.0 108.464 175.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -74.43 172.39 12.01 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.19 -0.944 . . . . 0.0 108.929 171.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -74.04 -171.16 1.06 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.952 0.501 . . . . 0.0 111.317 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.35 -161.83 54.2 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 167.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.05 132.72 40.28 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.272 1.029 . . . . 0.0 112.027 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -124.26 119.36 29.09 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 126.67 1.988 . . . . 0.0 109.013 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.21 138.91 34.96 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -149.66 123.52 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.247 0.619 . . . . 0.0 110.036 -173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.449 ' CE1' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -160.67 168.0 25.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.287 1.035 . . . . 0.0 111.325 -172.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.12 133.82 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 125.198 1.399 . . . . 0.0 110.556 171.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -117.21 165.49 13.37 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 126.225 1.81 . . . . 0.0 109.211 175.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -98.25 133.19 43.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.138 1.375 . . . . 0.0 107.715 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.69 -77.11 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 62.2 -44.96 0.17 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.65 1.98 . . . . 0.0 115.16 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -80.34 61.74 4.23 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 123.238 1.494 . . . . 0.0 109.942 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -82.29 65.9 7.63 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -43.52 60.79 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.554 1.942 . . . . 0.0 111.525 -168.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.56 -50.48 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.953 1.701 . . . . 0.0 109.0 -176.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.52 175.45 47.4 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 108.57 -1.812 . . . . 0.0 108.57 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 t -73.02 70.03 1.02 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.186 1.394 . . . . 0.0 109.927 -179.082 174.018 -163.732 -99.39 99.469 2.052 103.792 145.352 22.699 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.3 p -79.06 -72.16 0.4 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 122.554 1.169 . . . . 0.0 108.822 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 m -100.28 43.48 1.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.011 1.325 . . . . 0.0 110.323 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.7 125.4 21.02 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.93 -174.74 22.89 Favored Glycine 0 N--CA 1.443 -0.888 0 O-C-N 123.67 0.606 . . . . 0.0 112.247 -168.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -65.14 -175.24 0.38 Allowed 'Trans proline' 0 N--CA 1.443 -1.476 0 C-N-CA 122.006 1.804 . . . . 0.0 108.952 169.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CE1' ' HA ' ' A' ' 137' ' ' THR . 36.5 m170 -68.16 135.34 51.94 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.45 136.34 20.82 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -134.15 125.16 17.83 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 118.916 -0.564 . . . . 0.0 110.477 -172.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 -38.86 0.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.517 2.145 . . . . 0.0 112.592 -173.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -144.16 -80.72 0.18 Allowed 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 m -161.36 125.28 3.35 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 126.462 1.905 . . . . 0.0 106.177 170.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -153.31 149.85 28.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 169.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HZ1' ' CD ' ' A' ' 78' ' ' GLU . 15.9 mttt -73.3 -172.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 109.547 173.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -83.78 147.91 27.33 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.156 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.75 -142.84 3.52 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 108.002 -2.039 . . . . 0.0 108.002 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.56 -150.4 12.65 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 107.022 -2.431 . . . . 0.0 107.022 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.24 57.69 5.41 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.712 2.942 . . . . 0.0 111.823 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -146.35 -53.59 0.25 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.532 1.933 . . . . 0.0 109.135 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -96.64 172.33 7.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.921 0.889 . . . . 0.0 109.696 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -105.7 -15.95 14.82 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.219 168.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CD ' ' HZ1' ' A' ' 70' ' ' LYS . 2.9 tt0 -84.29 62.17 7.0 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 119.524 1.056 . . . . 0.0 108.748 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -110.62 147.95 33.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 127.54 2.336 . . . . 0.0 106.973 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -59.35 -57.9 10.99 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.413 0.551 . . . . 0.0 111.771 -169.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 p 171.44 -49.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 128.534 2.734 . . . . 0.0 106.482 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.99 6.43 81.2 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-O 118.914 -0.936 . . . . 0.0 114.196 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -73.55 94.24 2.11 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.357 1.863 . . . . 0.0 110.785 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.4 mt -82.12 -23.91 35.4 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.49 -112.37 3.67 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 107.423 -2.271 . . . . 0.0 107.423 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -150.33 159.03 44.75 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.191 0.596 . . . . 0.0 110.855 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.74 150.92 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 125.965 1.706 . . . . 0.0 108.967 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.6 m -91.02 140.82 29.48 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.829 1.252 . . . . 0.0 109.478 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.57 137.77 52.37 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.917 1.287 . . . . 0.0 109.593 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -70.14 173.01 7.11 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.238 1.018 . . . . 0.0 110.313 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -64.36 -21.86 66.77 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.092 1.357 . . . . 0.0 113.871 -172.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.09 -15.18 58.54 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 124.734 1.214 . . . . 0.0 109.484 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.49 26.89 16.44 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 123.881 0.753 . . . . 0.0 111.498 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.5 t -100.5 115.59 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.35 1.46 . . . . 0.0 107.279 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.99 121.78 43.26 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -89.66 145.38 25.27 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 124.61 1.193 . . . . 0.0 108.825 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.5 t -132.01 140.56 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 m -166.31 95.23 0.56 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.1 1.36 . . . . 0.0 108.377 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 tt -153.87 -179.47 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.773 0.829 . . . . 0.0 109.088 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.73 124.69 18.61 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.44 1.096 . . . . 0.0 108.273 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -110.81 151.9 27.27 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.153 1.381 . . . . 0.0 107.768 -172.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 p -112.13 3.57 17.37 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.62 1.568 . . . . 0.0 111.864 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.2 t -95.61 -11.08 8.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 118.831 0.742 . . . . 0.0 112.075 -169.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.17 170.88 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 119.194 0.906 . . . . 0.0 111.169 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.5 m -153.99 123.18 6.48 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.442 1.097 . . . . 0.0 109.485 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.15 -20.65 21.77 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.557 0.743 . . . . 0.0 110.905 175.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 t -98.54 172.39 7.54 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 166.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.14 -179.79 8.37 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 121.718 0.621 . . . . 0.0 113.315 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -23.31 -67.48 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.644 2.778 . . . . 0.0 115.218 -170.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.1 -16.49 52.95 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 117.982 -1.009 . . . . 0.0 113.429 -169.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.1 t 33.55 66.85 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.086 1.355 . . . . 0.0 113.753 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.14 53.9 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -169.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.3 mm -73.28 171.84 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 120.956 -1.09 . . . . 0.0 108.302 169.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.37 -46.65 3.69 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 120.685 -1.259 . . . . 0.0 112.157 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -35.83 142.67 0.07 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.703 2.001 . . . . 0.0 113.684 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 m -111.33 105.02 13.54 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.423 1.089 . . . . 0.0 110.283 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -73.2 151.59 41.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 167.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 48.6 t -129.61 136.45 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 170.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.55 128.01 53.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 172.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.449 ' CD2' ' CE1' ' A' ' 46' ' ' HIS . 91.8 m-70 -94.48 163.69 13.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.7 1.2 . . . . 0.0 111.659 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.88 -63.37 1.32 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.119 0.567 . . . . 0.0 110.604 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -92.43 173.5 7.76 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.986 0.898 . . . . 0.0 109.547 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.08 139.73 52.64 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.18 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -56.95 121.91 11.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.95 -5.96 38.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.39 1.876 . . . . 0.0 113.062 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 63.81 24.33 13.73 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.933 1.293 . . . . 0.0 110.108 -172.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 56.03 46.35 84.9 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.674 1.13 . . . . 0.0 112.775 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -106.14 -15.07 14.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.108 1.763 . . . . 0.0 111.367 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -49.3 -40.13 29.45 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.063 0.84 . . . . 0.0 111.477 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.64 35.41 10.36 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.87 166.23 25.19 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 170.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -40.35 -61.97 0.83 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.094 0.958 . . . . 0.0 110.509 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.445 ' CD ' ' HZ1' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -61.01 -22.18 64.29 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -178.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.9 p -69.62 -51.93 30.51 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 168.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 67.5 p -73.09 -13.98 61.3 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.445 ' HZ1' ' CD ' ' A' ' 133' ' ' GLU . 2.4 mtmt -98.64 -46.53 5.67 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.716 1.606 . . . . 0.0 110.805 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.502 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 26.0 p -132.21 -8.55 3.38 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -176.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.24 35.18 57.17 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.02 38.72 1.54 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.982 1.713 . . . . 0.0 111.999 174.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.57 -24.9 38.88 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -165.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 133.67 154.82 7.48 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 119.642 1.11 . . . . 0.0 111.767 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.6 m -73.59 56.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.217 1.807 . . . . 0.0 114.541 -169.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 52.99 70.72 0.55 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.759 1.224 . . . . 0.0 113.289 167.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.25 -54.13 45.22 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.459 -0.775 . . . . 0.0 113.043 -172.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -145.76 156.85 43.87 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.19 171.15 5.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.91 0.884 . . . . 0.0 109.459 -167.348 22.699 145.352 -99.39 103.792 2.052 99.469 -163.732 174.018 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -168.59 -136.1 2.0 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -154.52 147.69 24.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 39.8 mt -79.8 110.69 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -96.8 130.64 10.32 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 173.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -53.11 129.05 29.76 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.72 1.208 . . . . 0.0 109.09 171.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -101.87 -51.17 3.48 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 123.792 0.837 . . . . 0.0 108.742 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--O 1.247 0.965 0 C-N-CA 129.124 2.969 . . . . 0.0 108.051 171.022 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.405 . . . . . . . 0 CA--C 1.516 -0.359 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -36.78 -42.25 0.37 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.497 1.919 . . . . 0.0 114.49 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -113.25 140.65 47.79 Favored 'General case' 0 C--N 1.346 0.445 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -167.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.07 163.92 31.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.853 1.661 . . . . 0.0 108.25 168.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.24 150.63 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 126.089 1.755 . . . . 0.0 106.818 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.89 121.14 23.56 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 118.583 0.629 . . . . 0.0 109.388 169.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.7 m -88.19 91.52 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.667 1.187 . . . . 0.0 108.476 175.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.5 mt -70.59 132.77 45.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -157.92 164.78 36.53 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.72 -154.25 6.52 Favored Glycine 0 C--O 1.242 0.654 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 169.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -72.04 -48.95 40.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.873 1.669 . . . . 0.0 108.29 171.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.22 166.2 20.29 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.388 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.88 -15.48 40.38 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.536 2.824 . . . . 0.0 112.137 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.42 117.53 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 124.389 1.076 . . . . 0.0 108.495 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -145.5 154.55 42.33 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 172.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.65 153.02 24.17 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 mp -114.15 110.16 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mm -95.08 149.65 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -135.1 141.29 46.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.136 2.174 . . . . 0.0 105.643 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -125.34 132.55 52.81 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -130.97 113.54 14.11 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -99.03 109.31 22.07 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 171.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -84.61 25.7 0.87 Allowed 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.758 -0.589 . . . . 0.0 111.399 -173.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.91 -169.37 0.4 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.3 m -103.58 -44.05 5.21 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.73 1.612 . . . . 0.0 109.84 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -107.13 4.46 26.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.842 1.657 . . . . 0.0 111.855 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.57 165.88 50.33 Favored Glycine 0 C--N 1.336 0.545 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -61.71 157.78 40.77 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 121.948 1.766 . . . . 0.0 110.395 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 t -101.8 113.86 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 N-CA-C 104.297 -2.482 . . . . 0.0 104.297 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -81.39 114.55 20.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -100.83 132.05 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 17.0 p90 -142.74 155.17 44.82 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.22 174.38 46.69 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 119.006 -1.568 . . . . 0.0 111.143 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 p -138.19 127.27 24.2 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.4 mp -110.5 143.22 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 104.791 -2.299 . . . . 0.0 104.791 169.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -142.19 113.78 7.86 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 124.936 1.295 . . . . 0.0 107.92 -169.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.65 17.77 3.8 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 124.622 1.106 . . . . 0.0 114.579 166.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.6 177.06 5.62 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.624 1.212 . . . . 0.0 108.464 175.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -74.43 172.39 12.01 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.19 -0.944 . . . . 0.0 108.929 171.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -74.04 -171.16 1.06 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.952 0.501 . . . . 0.0 111.317 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.35 -161.83 54.2 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 167.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.05 132.72 40.28 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.272 1.029 . . . . 0.0 112.027 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -124.26 119.36 29.09 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 126.67 1.988 . . . . 0.0 109.013 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.21 138.91 34.96 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -149.66 123.52 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.247 0.619 . . . . 0.0 110.036 -173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.449 ' CE1' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -160.67 168.0 25.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.287 1.035 . . . . 0.0 111.325 -172.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.12 133.82 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 125.198 1.399 . . . . 0.0 110.556 171.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -117.21 165.49 13.37 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 126.225 1.81 . . . . 0.0 109.211 175.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -98.25 133.19 43.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.138 1.375 . . . . 0.0 107.715 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.69 -77.11 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 62.2 -44.96 0.17 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.65 1.98 . . . . 0.0 115.16 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -80.34 61.74 4.23 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 123.238 1.494 . . . . 0.0 109.942 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -82.29 65.9 7.63 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -43.52 60.79 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.554 1.942 . . . . 0.0 111.525 -168.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.56 -50.48 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.953 1.701 . . . . 0.0 109.0 -176.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.52 175.45 47.4 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 108.57 -1.812 . . . . 0.0 108.57 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 t -73.02 70.03 1.02 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.186 1.394 . . . . 0.0 109.927 -179.082 174.018 -163.732 -99.39 99.469 2.052 103.792 145.352 22.699 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.3 p -79.06 -72.16 0.4 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 122.554 1.169 . . . . 0.0 108.822 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 m -100.28 43.48 1.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.011 1.325 . . . . 0.0 110.323 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.7 125.4 21.02 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.93 -174.74 22.89 Favored Glycine 0 N--CA 1.443 -0.888 0 O-C-N 123.67 0.606 . . . . 0.0 112.247 -168.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -65.14 -175.24 0.38 Allowed 'Trans proline' 0 N--CA 1.443 -1.476 0 C-N-CA 122.006 1.804 . . . . 0.0 108.952 169.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.476 ' CE1' ' HA ' ' A' ' 137' ' ' THR . 36.5 m170 -68.16 135.34 51.94 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.45 136.34 20.82 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -134.15 125.16 17.83 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 118.916 -0.564 . . . . 0.0 110.477 -172.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 -38.86 0.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.517 2.145 . . . . 0.0 112.592 -173.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -144.16 -80.72 0.18 Allowed 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 m -161.36 125.28 3.35 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 126.462 1.905 . . . . 0.0 106.177 170.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -153.31 149.85 28.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 169.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -73.3 -172.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 109.547 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -83.78 147.91 27.33 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.156 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.75 -142.84 3.52 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 108.002 -2.039 . . . . 0.0 108.002 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.56 -150.4 12.65 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 107.022 -2.431 . . . . 0.0 107.022 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.24 57.69 5.41 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.712 2.942 . . . . 0.0 111.823 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -146.35 -53.59 0.25 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.532 1.933 . . . . 0.0 109.135 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -96.64 172.33 7.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.921 0.889 . . . . 0.0 109.696 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -105.7 -15.95 14.82 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.219 168.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -84.29 62.17 7.0 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 119.524 1.056 . . . . 0.0 108.748 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -110.62 147.95 33.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 127.54 2.336 . . . . 0.0 106.973 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -59.35 -57.9 10.99 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.413 0.551 . . . . 0.0 111.771 -169.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 p 171.44 -49.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 128.534 2.734 . . . . 0.0 106.482 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.99 6.43 81.2 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-O 118.914 -0.936 . . . . 0.0 114.196 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -73.55 94.24 2.11 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.357 1.863 . . . . 0.0 110.785 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.4 mt -82.12 -23.91 35.4 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.49 -112.37 3.67 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 107.423 -2.271 . . . . 0.0 107.423 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -150.33 159.03 44.75 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.191 0.596 . . . . 0.0 110.855 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.74 150.92 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 125.965 1.706 . . . . 0.0 108.967 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.6 m -91.02 140.82 29.48 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.829 1.252 . . . . 0.0 109.478 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.57 137.77 52.37 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.917 1.287 . . . . 0.0 109.593 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -70.14 173.01 7.11 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.238 1.018 . . . . 0.0 110.313 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -64.36 -21.86 66.77 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.092 1.357 . . . . 0.0 113.871 -172.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.09 -15.18 58.54 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 124.734 1.214 . . . . 0.0 109.484 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.49 26.89 16.44 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 123.881 0.753 . . . . 0.0 111.498 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.5 t -100.5 115.59 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.35 1.46 . . . . 0.0 107.279 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.99 121.78 43.26 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -89.66 145.38 25.27 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 124.61 1.193 . . . . 0.0 108.825 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.5 t -132.01 140.56 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 m -166.31 95.23 0.56 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.1 1.36 . . . . 0.0 108.377 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 tt -153.87 -179.47 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.773 0.829 . . . . 0.0 109.088 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.73 124.69 18.61 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.44 1.096 . . . . 0.0 108.273 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -110.81 151.9 27.27 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.153 1.381 . . . . 0.0 107.768 -172.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 p -112.13 3.57 17.37 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.62 1.568 . . . . 0.0 111.864 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.2 t -95.61 -11.08 8.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 118.831 0.742 . . . . 0.0 112.075 -169.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.17 170.88 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 119.194 0.906 . . . . 0.0 111.169 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.5 m -153.99 123.18 6.48 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.442 1.097 . . . . 0.0 109.485 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.15 -20.65 21.77 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.557 0.743 . . . . 0.0 110.905 175.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 t -98.54 172.39 7.54 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 166.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.14 -179.79 8.37 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 121.718 0.621 . . . . 0.0 113.315 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -23.31 -67.48 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.644 2.778 . . . . 0.0 115.218 -170.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.1 -16.49 52.95 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 117.982 -1.009 . . . . 0.0 113.429 -169.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.1 t 33.55 66.85 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.086 1.355 . . . . 0.0 113.753 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.14 53.9 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -169.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.3 mm -73.28 171.84 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 120.956 -1.09 . . . . 0.0 108.302 169.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.37 -46.65 3.69 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 120.685 -1.259 . . . . 0.0 112.157 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -35.83 142.67 0.07 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.703 2.001 . . . . 0.0 113.684 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 m -111.33 105.02 13.54 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.423 1.089 . . . . 0.0 110.283 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -73.2 151.59 41.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 167.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 146' ' ' CYS . 48.6 t -129.61 136.45 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 170.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.55 128.01 53.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 172.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.449 ' CD2' ' CE1' ' A' ' 46' ' ' HIS . 91.8 m-70 -94.48 163.69 13.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.7 1.2 . . . . 0.0 111.659 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.88 -63.37 1.32 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.119 0.567 . . . . 0.0 110.604 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -92.43 173.5 7.76 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.986 0.898 . . . . 0.0 109.547 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.08 139.73 52.64 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.18 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -56.95 121.91 11.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.95 -5.96 38.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.39 1.876 . . . . 0.0 113.062 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 63.81 24.33 13.73 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.933 1.293 . . . . 0.0 110.108 -172.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 56.03 46.35 84.9 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.674 1.13 . . . . 0.0 112.775 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -106.14 -15.07 14.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.108 1.763 . . . . 0.0 111.367 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -49.3 -40.13 29.45 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.063 0.84 . . . . 0.0 111.477 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.64 35.41 10.36 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.87 166.23 25.19 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 170.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -40.35 -61.97 0.83 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.094 0.958 . . . . 0.0 110.509 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -22.18 64.29 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.9 p -69.62 -51.93 30.51 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 168.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 67.5 p -73.09 -13.98 61.3 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -98.64 -46.53 5.67 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.716 1.606 . . . . 0.0 110.805 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.476 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 26.0 p -132.21 -8.55 3.38 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -176.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.24 35.18 57.17 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.02 38.72 1.54 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.982 1.713 . . . . 0.0 111.999 174.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.57 -24.9 38.88 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -165.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 133.67 154.82 7.48 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 119.642 1.11 . . . . 0.0 111.767 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.6 m -73.59 56.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.217 1.807 . . . . 0.0 114.541 -169.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 52.99 70.72 0.55 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.759 1.224 . . . . 0.0 113.289 167.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.25 -54.13 45.22 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.459 -0.775 . . . . 0.0 113.043 -172.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -145.76 156.85 43.87 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' CYS . . . . . 0.431 ' HB3' HG22 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -171.19 171.15 5.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.91 0.884 . . . . 0.0 109.459 -167.348 22.699 145.352 -99.39 103.792 2.052 99.469 -163.732 174.018 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -168.59 -136.1 2.0 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -154.52 147.69 24.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 39.8 mt -79.8 110.69 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -96.8 130.64 10.32 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 173.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -53.11 129.05 29.76 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.72 1.208 . . . . 0.0 109.09 171.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -101.87 -51.17 3.48 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 123.792 0.837 . . . . 0.0 108.742 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--O 1.247 0.965 0 C-N-CA 129.124 2.969 . . . . 0.0 108.051 171.022 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.405 . . . . . . . 0 CA--C 1.516 -0.359 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.1 t -36.78 -42.25 0.37 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.497 1.919 . . . . 0.0 114.49 169.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -113.25 140.65 47.79 Favored 'General case' 0 C--N 1.346 0.445 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 -167.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.07 163.92 31.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.853 1.661 . . . . 0.0 108.25 168.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.24 150.63 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 126.089 1.755 . . . . 0.0 106.818 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.89 121.14 23.56 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 118.583 0.629 . . . . 0.0 109.388 169.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.7 m -88.19 91.52 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.667 1.187 . . . . 0.0 108.476 175.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.5 mt -70.59 132.77 45.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -157.92 164.78 36.53 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -151.72 -154.25 6.52 Favored Glycine 0 C--O 1.242 0.654 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 169.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -72.04 -48.95 40.72 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.873 1.669 . . . . 0.0 108.29 171.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.22 166.2 20.29 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.388 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.88 -15.48 40.38 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.536 2.824 . . . . 0.0 112.137 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.42 117.53 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 124.389 1.076 . . . . 0.0 108.495 174.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -145.5 154.55 42.33 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 172.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.65 153.02 24.17 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 mp -114.15 110.16 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.9 mm -95.08 149.65 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -135.1 141.29 46.01 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.136 2.174 . . . . 0.0 105.643 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -125.34 132.55 52.81 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -130.97 113.54 14.11 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -99.03 109.31 22.07 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 171.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -84.61 25.7 0.87 Allowed 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.758 -0.589 . . . . 0.0 111.399 -173.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.91 -169.37 0.4 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.3 m -103.58 -44.05 5.21 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.73 1.612 . . . . 0.0 109.84 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -107.13 4.46 26.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.842 1.657 . . . . 0.0 111.855 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.57 165.88 50.33 Favored Glycine 0 C--N 1.336 0.545 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -61.71 157.78 40.77 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 121.948 1.766 . . . . 0.0 110.395 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 t -101.8 113.86 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.256 0 N-CA-C 104.297 -2.482 . . . . 0.0 104.297 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -81.39 114.55 20.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 m -100.83 132.05 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 17.0 p90 -142.74 155.17 44.82 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.22 174.38 46.69 Favored Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 119.006 -1.568 . . . . 0.0 111.143 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 p -138.19 127.27 24.2 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.4 mp -110.5 143.22 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 104.791 -2.299 . . . . 0.0 104.791 169.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -142.19 113.78 7.86 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 124.936 1.295 . . . . 0.0 107.92 -169.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.65 17.77 3.8 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 124.622 1.106 . . . . 0.0 114.579 166.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.6 177.06 5.62 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.624 1.212 . . . . 0.0 108.464 175.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -74.43 172.39 12.01 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.19 -0.944 . . . . 0.0 108.929 171.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -74.04 -171.16 1.06 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.952 0.501 . . . . 0.0 111.317 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.35 -161.83 54.2 Favored Glycine 0 C--N 1.337 0.61 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 167.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.05 132.72 40.28 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.272 1.029 . . . . 0.0 112.027 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -124.26 119.36 29.09 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 126.67 1.988 . . . . 0.0 109.013 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.21 138.91 34.96 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 171.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -149.66 123.52 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.247 0.619 . . . . 0.0 110.036 -173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.449 ' CE1' ' CD2' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -160.67 168.0 25.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.287 1.035 . . . . 0.0 111.325 -172.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.12 133.82 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 125.198 1.399 . . . . 0.0 110.556 171.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -117.21 165.49 13.37 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 126.225 1.81 . . . . 0.0 109.211 175.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -98.25 133.19 43.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.138 1.375 . . . . 0.0 107.715 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.69 -77.11 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 62.2 -44.96 0.17 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.65 1.98 . . . . 0.0 115.16 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -80.34 61.74 4.23 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 123.238 1.494 . . . . 0.0 109.942 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -82.29 65.9 7.63 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.3 -43.52 60.79 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 126.554 1.942 . . . . 0.0 111.525 -168.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.56 -50.48 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 125.953 1.701 . . . . 0.0 109.0 -176.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.52 175.45 47.4 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 108.57 -1.812 . . . . 0.0 108.57 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 t -73.02 70.03 1.02 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.186 1.394 . . . . 0.0 109.927 -179.082 174.018 -163.732 -99.39 99.469 2.052 103.792 145.352 22.699 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.3 p -79.06 -72.16 0.4 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 122.554 1.169 . . . . 0.0 108.822 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 m -100.28 43.48 1.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.011 1.325 . . . . 0.0 110.323 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.7 125.4 21.02 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.93 -174.74 22.89 Favored Glycine 0 N--CA 1.443 -0.888 0 O-C-N 123.67 0.606 . . . . 0.0 112.247 -168.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -65.14 -175.24 0.38 Allowed 'Trans proline' 0 N--CA 1.443 -1.476 0 C-N-CA 122.006 1.804 . . . . 0.0 108.952 169.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.476 ' CE1' ' HA ' ' A' ' 137' ' ' THR . 36.5 m170 -68.16 135.34 51.94 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -50.45 136.34 20.82 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -134.15 125.16 17.83 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 118.916 -0.564 . . . . 0.0 110.477 -172.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.83 -38.86 0.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.517 2.145 . . . . 0.0 112.592 -173.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mt -144.16 -80.72 0.18 Allowed 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 m -161.36 125.28 3.35 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 126.462 1.905 . . . . 0.0 106.177 170.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -153.31 149.85 28.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 169.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -73.3 -172.78 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 109.547 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -83.78 147.91 27.33 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.156 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.75 -142.84 3.52 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 108.002 -2.039 . . . . 0.0 108.002 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.56 -150.4 12.65 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 107.022 -2.431 . . . . 0.0 107.022 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -76.24 57.69 5.41 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.712 2.942 . . . . 0.0 111.823 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -146.35 -53.59 0.25 Allowed 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.532 1.933 . . . . 0.0 109.135 168.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -96.64 172.33 7.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.921 0.889 . . . . 0.0 109.696 -176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -105.7 -15.95 14.82 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.219 168.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -84.29 62.17 7.0 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 119.524 1.056 . . . . 0.0 108.748 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -110.62 147.95 33.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 127.54 2.336 . . . . 0.0 106.973 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -59.35 -57.9 10.99 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.413 0.551 . . . . 0.0 111.771 -169.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 p 171.44 -49.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 128.534 2.734 . . . . 0.0 106.482 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.99 6.43 81.2 Favored Glycine 0 CA--C 1.529 0.954 0 CA-C-O 118.914 -0.936 . . . . 0.0 114.196 -175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -73.55 94.24 2.11 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.357 1.863 . . . . 0.0 110.785 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.4 mt -82.12 -23.91 35.4 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.49 -112.37 3.67 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 107.423 -2.271 . . . . 0.0 107.423 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -150.33 159.03 44.75 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.191 0.596 . . . . 0.0 110.855 -175.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.74 150.92 35.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 125.965 1.706 . . . . 0.0 108.967 -176.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.6 m -91.02 140.82 29.48 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.829 1.252 . . . . 0.0 109.478 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.57 137.77 52.37 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 124.917 1.287 . . . . 0.0 109.593 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -70.14 173.01 7.11 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.238 1.018 . . . . 0.0 110.313 172.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -64.36 -21.86 66.77 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.092 1.357 . . . . 0.0 113.871 -172.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -79.09 -15.18 58.54 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 124.734 1.214 . . . . 0.0 109.484 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.49 26.89 16.44 Favored Glycine 0 N--CA 1.436 -1.341 0 C-N-CA 123.881 0.753 . . . . 0.0 111.498 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.5 t -100.5 115.59 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.35 1.46 . . . . 0.0 107.279 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.99 121.78 43.26 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -89.66 145.38 25.27 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 124.61 1.193 . . . . 0.0 108.825 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.5 t -132.01 140.56 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 m -166.31 95.23 0.56 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.1 1.36 . . . . 0.0 108.377 175.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 tt -153.87 -179.47 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.773 0.829 . . . . 0.0 109.088 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.73 124.69 18.61 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.44 1.096 . . . . 0.0 108.273 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -110.81 151.9 27.27 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.153 1.381 . . . . 0.0 107.768 -172.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.9 p -112.13 3.57 17.37 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.62 1.568 . . . . 0.0 111.864 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 99.2 t -95.61 -11.08 8.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 118.831 0.742 . . . . 0.0 112.075 -169.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.17 170.88 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 119.194 0.906 . . . . 0.0 111.169 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.5 m -153.99 123.18 6.48 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.442 1.097 . . . . 0.0 109.485 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.15 -20.65 21.77 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 123.557 0.743 . . . . 0.0 110.905 175.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.4 t -98.54 172.39 7.54 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 166.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.14 -179.79 8.37 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 121.718 0.621 . . . . 0.0 113.315 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -23.31 -67.48 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.644 2.778 . . . . 0.0 115.218 -170.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.1 -16.49 52.95 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 117.982 -1.009 . . . . 0.0 113.429 -169.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.1 t 33.55 66.85 0.21 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.086 1.355 . . . . 0.0 113.753 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.14 53.9 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -169.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.3 mm -73.28 171.84 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 120.956 -1.09 . . . . 0.0 108.302 169.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.37 -46.65 3.69 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 120.685 -1.259 . . . . 0.0 112.157 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -35.83 142.67 0.07 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.703 2.001 . . . . 0.0 113.684 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 m -111.33 105.02 13.54 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.423 1.089 . . . . 0.0 110.283 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 mp -73.2 151.59 41.41 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 167.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 146' ' ' CYS . 48.6 t -129.61 136.45 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 170.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.55 128.01 53.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 172.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.449 ' CD2' ' CE1' ' A' ' 46' ' ' HIS . 91.8 m-70 -94.48 163.69 13.3 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.7 1.2 . . . . 0.0 111.659 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -75.88 -63.37 1.32 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.119 0.567 . . . . 0.0 110.604 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -92.43 173.5 7.76 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.986 0.898 . . . . 0.0 109.547 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.08 139.73 52.64 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.18 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -56.95 121.91 11.04 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.95 -5.96 38.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.39 1.876 . . . . 0.0 113.062 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 63.81 24.33 13.73 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.933 1.293 . . . . 0.0 110.108 -172.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 56.03 46.35 84.9 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.674 1.13 . . . . 0.0 112.775 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -106.14 -15.07 14.97 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.108 1.763 . . . . 0.0 111.367 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -49.3 -40.13 29.45 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 124.063 0.84 . . . . 0.0 111.477 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.64 35.41 10.36 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.87 166.23 25.19 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 170.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -40.35 -61.97 0.83 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.094 0.958 . . . . 0.0 110.509 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -22.18 64.29 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.9 p -69.62 -51.93 30.51 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 168.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 67.5 p -73.09 -13.98 61.3 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -98.64 -46.53 5.67 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.716 1.606 . . . . 0.0 110.805 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.476 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 26.0 p -132.21 -8.55 3.38 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 -176.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.24 35.18 57.17 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.02 38.72 1.54 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.982 1.713 . . . . 0.0 111.999 174.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -80.57 -24.9 38.88 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -165.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 133.67 154.82 7.48 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 119.642 1.11 . . . . 0.0 111.767 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.6 m -73.59 56.97 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.217 1.807 . . . . 0.0 114.541 -169.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 52.99 70.72 0.55 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.759 1.224 . . . . 0.0 113.289 167.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.25 -54.13 45.22 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 121.459 -0.775 . . . . 0.0 113.043 -172.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -145.76 156.85 43.87 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.431 ' HB3' HG22 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -171.19 171.15 5.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.91 0.884 . . . . 0.0 109.459 -167.348 22.699 145.352 -99.39 103.792 2.052 99.469 -163.732 174.018 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -168.59 -136.1 2.0 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -154.52 147.69 24.79 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 39.8 mt -79.8 110.69 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -96.8 130.64 10.32 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 173.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -53.11 129.05 29.76 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.72 1.208 . . . . 0.0 109.09 171.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -101.87 -51.17 3.48 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 123.792 0.837 . . . . 0.0 108.742 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--O 1.247 0.965 0 C-N-CA 129.124 2.969 . . . . 0.0 108.051 171.022 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_