data_1aw3_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 1aw3 _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' ' ' ASP . . . . . . . . . . . . 2.283 8.0 p30 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.45 -77.92 0.05 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 124.832 1.333 . . . . 0.0 114.06 136.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -98.48 -66.6 0.89 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 123.172 1.463 . . . . 0.0 109.983 -126.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.63 -146.84 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 102.213 -3.254 . . . . 0.0 102.213 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -127.57 81.24 2.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.837 1.199 . . . . 0.0 109.548 164.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -62.53 102.28 0.31 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.49 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 53.3 m-85 -109.43 143.88 38.42 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.564 0.746 . . . . 0.0 109.59 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -83.0 160.67 21.94 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.479 0.656 . . . . 0.0 109.619 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.62 -52.4 63.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.56 -45.72 84.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.424 0.29 . . . . 0.0 111.434 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.94 -56.94 14.12 Favored 'General case' 0 C--N 1.34 0.172 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.23 -37.93 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 O-C-N 121.634 -0.666 . . . . 0.0 110.29 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -62.64 -26.71 68.77 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.665 0.786 . . . . 0.0 112.479 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -67.17 -43.02 83.27 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 170.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -73.89 66.71 1.17 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.594 1.158 . . . . 0.0 112.318 -178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -136.05 -3.8 2.21 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 166.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -74.82 -169.52 0.9 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.884 0.474 . . . . 0.0 109.808 -163.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 t -7.91 -58.68 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 129.459 3.104 . . . . 0.0 114.035 167.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -154.03 38.87 0.46 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -161.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 t -149.17 70.85 1.1 Allowed 'General case' 0 C--O 1.227 -0.097 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.9 m -79.4 89.2 4.99 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 123.503 0.721 . . . . 0.0 109.532 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -90.8 158.56 16.76 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.983 169.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -150.6 152.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.5 pp -112.08 113.45 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 123.849 0.718 . . . . 0.0 110.158 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.3 mt -119.25 103.76 9.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 -174.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 57.13 66.58 1.13 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.017 0.527 . . . . 0.0 111.472 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 70.46 -7.89 0.96 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.303 1.441 . . . . 0.0 114.042 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -114.41 135.58 53.93 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.6 1.16 . . . . 0.0 109.915 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 t -97.61 123.66 50.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 124.773 1.229 . . . . 0.0 107.882 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -115.79 128.17 55.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.66 125.84 32.85 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 164.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 68.0 mt -122.6 22.74 9.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -56.46 -46.24 80.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.417 1.487 . . . . 0.0 110.664 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -92.57 9.4 34.8 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -107.19 -13.87 15.05 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 118.434 0.561 . . . . 0.0 110.741 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.4 mt -43.8 -60.44 1.8 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.848 1.259 . . . . 0.0 112.324 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.8 -37.99 67.35 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.055 0.142 . . . . 0.0 111.031 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.46 -39.48 91.01 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.573 0.349 . . . . 0.0 111.939 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -46.12 113.37 2.1 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 125.07 1.348 . . . . 0.0 110.28 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.74 76.82 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.841 2.361 . . . . 0.0 108.457 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.22 -27.74 0.26 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.229 1.395 . . . . 0.0 110.613 -166.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.78 169.88 17.77 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-O 122.033 0.796 . . . . 0.0 115.036 163.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -76.71 -48.17 19.66 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 113.977 -1.111 . . . . 0.0 109.205 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -57.83 -50.48 73.15 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.036 -0.415 . . . . 0.0 111.166 -167.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.1 m -54.36 -39.06 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 122.842 0.457 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -54.15 47.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.846 1.259 . . . . 0.0 110.422 171.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -18.69 61.42 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.776 1.231 . . . . 0.0 113.261 -168.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.41 -64.43 0.8 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.969 2.108 . . . . 0.0 111.795 176.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -79.7 -76.15 0.22 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 51.62 161.87 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.262 1.825 . . . . 0.0 113.963 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 36.57 56.86 1.23 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 126.052 1.787 . . . . 0.0 113.267 -175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.87 -168.64 39.19 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.06 70.32 0.15 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.502 2.721 . . . . 0.0 112.226 -167.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.62 -0.36 23.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.654 -0.654 . . . . 0.0 110.9 170.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -51.25 -52.56 43.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.276 0.63 . . . . 0.0 110.275 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -46.04 -60.06 2.49 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.87 0.868 . . . . 0.0 109.971 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -63.71 -43.88 95.3 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.76 0.79 . . . . 0.0 111.038 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -53.75 -47.18 70.89 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.476 -0.765 . . . . 0.0 111.388 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -80.64 -27.85 37.11 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.854 0.862 . . . . 0.0 111.731 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -51.6 -50.94 59.22 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.78 0.718 . . . . 0.0 109.113 168.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t -74.04 -29.42 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.149 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.39 -53.75 2.43 Favored Glycine 0 CA--C 1.525 0.666 0 O-C-N 120.866 -1.146 . . . . 0.0 111.01 171.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.7 m80 69.25 138.47 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.293 1.837 . . . . 0.0 113.949 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.62 156.97 37.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.15 1.38 . . . . 0.0 111.949 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 m -40.43 -50.34 2.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.85 1.66 . . . . 0.0 112.351 171.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.53 -53.33 11.54 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.738 1.215 . . . . 0.0 111.296 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.25 89.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.913 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -54.8 -53.69 51.91 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.441 0.564 . . . . 0.0 111.122 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -60.47 -44.87 95.44 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.661 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.78 -31.74 71.09 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 122.04 -0.412 . . . . 0.0 110.978 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -50.31 -49.48 53.54 Favored 'General case' 0 C--O 1.225 -0.236 0 O-C-N 121.562 -0.712 . . . . 0.0 109.434 169.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -56.71 -43.73 80.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.976 -0.452 . . . . 0.0 111.329 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.5 m -52.37 -26.96 13.8 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -103.14 1.79 33.69 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.613 1.165 . . . . 0.0 112.296 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tt -65.63 123.29 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.4 -43.53 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 172.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.48 -151.06 7.67 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.388 -0.673 . . . . 0.0 111.571 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -134.39 166.92 21.73 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.547 0.739 . . . . 0.0 110.375 -172.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.9 mt -65.14 133.45 51.61 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 169.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -45.7 135.0 6.26 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 124.242 1.017 . . . . 0.0 111.869 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -59.86 -32.03 94.72 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.259 2.639 . . . . 0.0 112.244 -171.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -43.27 -68.8 0.17 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.995 1.718 . . . . 0.0 110.881 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.69 -39.31 88.03 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -49.58 -47.27 49.51 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.056 -1.028 . . . . 0.0 113.078 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -62.88 -20.37 65.07 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.752 -0.592 . . . . 0.0 112.096 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -140.6 64.91 1.42 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 -174.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 26.6 mt -70.42 70.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.176 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 161.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.4 144.24 31.61 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 154.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -83.48 133.62 46.75 Favored Pre-proline 0 N--CA 1.434 -1.235 0 CA-C-N 112.852 -1.976 . . . . 0.0 106.601 -140.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -52.29 135.05 52.93 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 121.04 1.16 . . . . 0.0 110.093 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.76 71.07 0.34 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 149.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 61.52 147.45 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 125.743 1.902 . . . . 0.0 115.439 129.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.5 p 134.92 126.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.447 -0.783 . . . . 0.0 111.151 111.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.86 1.664 . . . . 0.0 112.194 148.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 2.283 8.0 p30 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.45 -77.92 0.05 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 124.832 1.333 . . . . 0.0 114.06 136.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -98.48 -66.6 0.89 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 123.172 1.463 . . . . 0.0 109.983 -126.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.63 -146.84 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 102.213 -3.254 . . . . 0.0 102.213 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -127.57 81.24 2.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.837 1.199 . . . . 0.0 109.548 164.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -62.53 102.28 0.31 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.49 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 53.3 m-85 -109.43 143.88 38.42 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.564 0.746 . . . . 0.0 109.59 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -83.0 160.67 21.94 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.479 0.656 . . . . 0.0 109.619 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.62 -52.4 63.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' OE2' ' NZ ' ' A' ' 14' ' ' LYS . 2.1 tt0 -57.56 -45.72 84.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.424 0.29 . . . . 0.0 111.434 -177.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.94 -56.94 14.12 Favored 'General case' 0 C--N 1.34 0.172 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.23 -37.93 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 O-C-N 121.634 -0.666 . . . . 0.0 110.29 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -62.64 -26.71 68.77 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.665 0.786 . . . . 0.0 112.479 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' NZ ' ' OE2' ' A' ' 10' ' ' GLU . 9.4 mptt -67.17 -43.02 83.27 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 170.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -73.89 66.71 1.17 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.594 1.158 . . . . 0.0 112.318 -178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -136.05 -3.8 2.21 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 166.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -74.82 -169.52 0.9 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.884 0.474 . . . . 0.0 109.808 -163.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 t -7.91 -58.68 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 129.459 3.104 . . . . 0.0 114.035 167.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -154.03 38.87 0.46 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -161.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 t -149.17 70.85 1.1 Allowed 'General case' 0 C--O 1.227 -0.097 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.9 m -79.4 89.2 4.99 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 123.503 0.721 . . . . 0.0 109.532 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -90.8 158.56 16.76 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.983 169.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 32' ' ' LEU . 1.9 m -150.6 152.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.5 pp -112.08 113.45 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 123.849 0.718 . . . . 0.0 110.158 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.3 mt -119.25 103.76 9.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 -174.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 57.13 66.58 1.13 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.017 0.527 . . . . 0.0 111.472 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 70.46 -7.89 0.96 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.303 1.441 . . . . 0.0 114.042 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -114.41 135.58 53.93 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.6 1.16 . . . . 0.0 109.915 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 t -97.61 123.66 50.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 124.773 1.229 . . . . 0.0 107.882 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -115.79 128.17 55.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.66 125.84 32.85 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 164.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.629 HD11 ' HAB' ' A' ' 96' ' ' HEM . 68.0 mt -122.6 22.74 9.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -56.46 -46.24 80.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.417 1.487 . . . . 0.0 110.664 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -92.57 9.4 34.8 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -107.19 -13.87 15.05 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 118.434 0.561 . . . . 0.0 110.741 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.4 mt -43.8 -60.44 1.8 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.848 1.259 . . . . 0.0 112.324 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.8 -37.99 67.35 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.055 0.142 . . . . 0.0 111.031 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.46 -39.48 91.01 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.573 0.349 . . . . 0.0 111.939 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -46.12 113.37 2.1 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 125.07 1.348 . . . . 0.0 110.28 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.74 76.82 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.841 2.361 . . . . 0.0 108.457 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.22 -27.74 0.26 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.229 1.395 . . . . 0.0 110.613 -166.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.78 169.88 17.77 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-O 122.033 0.796 . . . . 0.0 115.036 163.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -76.71 -48.17 19.66 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 113.977 -1.111 . . . . 0.0 109.205 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -57.83 -50.48 73.15 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.036 -0.415 . . . . 0.0 111.166 -167.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.1 m -54.36 -39.06 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 122.842 0.457 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.484 HD11 HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -61.41 -54.15 47.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.846 1.259 . . . . 0.0 110.422 171.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -18.69 61.42 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.776 1.231 . . . . 0.0 113.261 -168.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.41 -64.43 0.8 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.969 2.108 . . . . 0.0 111.795 176.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -79.7 -76.15 0.22 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 51.62 161.87 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.262 1.825 . . . . 0.0 113.963 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 36.57 56.86 1.23 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 126.052 1.787 . . . . 0.0 113.267 -175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.87 -168.64 39.19 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.06 70.32 0.15 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.502 2.721 . . . . 0.0 112.226 -167.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.62 -0.36 23.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.654 -0.654 . . . . 0.0 110.9 170.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -51.25 -52.56 43.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.276 0.63 . . . . 0.0 110.275 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -46.04 -60.06 2.49 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.87 0.868 . . . . 0.0 109.971 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -63.71 -43.88 95.3 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.76 0.79 . . . . 0.0 111.038 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -53.75 -47.18 70.89 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.476 -0.765 . . . . 0.0 111.388 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -80.64 -27.85 37.11 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.854 0.862 . . . . 0.0 111.731 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -51.6 -50.94 59.22 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.78 0.718 . . . . 0.0 109.113 168.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t -74.04 -29.42 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.149 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.39 -53.75 2.43 Favored Glycine 0 CA--C 1.525 0.666 0 O-C-N 120.866 -1.146 . . . . 0.0 111.01 171.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.7 m80 69.25 138.47 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.293 1.837 . . . . 0.0 113.949 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.62 156.97 37.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.15 1.38 . . . . 0.0 111.949 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 m -40.43 -50.34 2.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.85 1.66 . . . . 0.0 112.351 171.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.53 -53.33 11.54 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.738 1.215 . . . . 0.0 111.296 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.25 89.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.913 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -54.8 -53.69 51.91 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.441 0.564 . . . . 0.0 111.122 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -60.47 -44.87 95.44 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.661 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.78 -31.74 71.09 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 122.04 -0.412 . . . . 0.0 110.978 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -50.31 -49.48 53.54 Favored 'General case' 0 C--O 1.225 -0.236 0 O-C-N 121.562 -0.712 . . . . 0.0 109.434 169.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -56.71 -43.73 80.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.976 -0.452 . . . . 0.0 111.329 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.5 m -52.37 -26.96 13.8 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -103.14 1.79 33.69 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.613 1.165 . . . . 0.0 112.296 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tt -65.63 123.29 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.4 -43.53 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 172.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.48 -151.06 7.67 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.388 -0.673 . . . . 0.0 111.571 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -134.39 166.92 21.73 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.547 0.739 . . . . 0.0 110.375 -172.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 79' ' ' LEU . 12.9 mt -65.14 133.45 51.61 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 169.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -45.7 135.0 6.26 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 124.242 1.017 . . . . 0.0 111.869 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.438 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 28.0 Cg_endo -59.86 -32.03 94.72 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.259 2.639 . . . . 0.0 112.244 -171.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -43.27 -68.8 0.17 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.995 1.718 . . . . 0.0 110.881 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.69 -39.31 88.03 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.438 ' HB3' ' HA ' ' A' ' 81' ' ' PRO . 4.0 tmt_? -49.58 -47.27 49.51 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.056 -1.028 . . . . 0.0 113.078 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -62.88 -20.37 65.07 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.752 -0.592 . . . . 0.0 112.096 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -140.6 64.91 1.42 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 -174.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 26.6 mt -70.42 70.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.176 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 161.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.4 144.24 31.61 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 154.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -83.48 133.62 46.75 Favored Pre-proline 0 N--CA 1.434 -1.235 0 CA-C-N 112.852 -1.976 . . . . 0.0 106.601 -140.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -52.29 135.05 52.93 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 121.04 1.16 . . . . 0.0 110.093 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.76 71.07 0.34 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 149.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 61.52 147.45 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 125.743 1.902 . . . . 0.0 115.439 129.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.5 p 134.92 126.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.447 -0.783 . . . . 0.0 111.151 111.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.86 1.664 . . . . 0.0 112.194 148.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HEM . . . . . 0.629 ' HAB' HD11 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 2.283 8.0 p30 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 70.45 -77.92 0.05 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 124.832 1.333 . . . . 0.0 114.06 136.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -98.48 -66.6 0.89 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 123.172 1.463 . . . . 0.0 109.983 -126.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.63 -146.84 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 102.213 -3.254 . . . . 0.0 102.213 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -127.57 81.24 2.01 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.837 1.199 . . . . 0.0 109.548 164.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -62.53 102.28 0.31 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.49 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 53.3 m-85 -109.43 143.88 38.42 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.564 0.746 . . . . 0.0 109.59 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -83.0 160.67 21.94 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.479 0.656 . . . . 0.0 109.619 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.62 -52.4 63.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' OE2' ' NZ ' ' A' ' 14' ' ' LYS . 2.1 tt0 -57.56 -45.72 84.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.424 0.29 . . . . 0.0 111.434 -177.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.94 -56.94 14.12 Favored 'General case' 0 C--N 1.34 0.172 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.3 mt -58.23 -37.93 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 O-C-N 121.634 -0.666 . . . . 0.0 110.29 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -62.64 -26.71 68.77 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.665 0.786 . . . . 0.0 112.479 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' NZ ' ' OE2' ' A' ' 10' ' ' GLU . 9.4 mptt -67.17 -43.02 83.27 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 170.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -73.89 66.71 1.17 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.594 1.158 . . . . 0.0 112.318 -178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -136.05 -3.8 2.21 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 166.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -74.82 -169.52 0.9 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 122.884 0.474 . . . . 0.0 109.808 -163.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 t -7.91 -58.68 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 129.459 3.104 . . . . 0.0 114.035 167.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -154.03 38.87 0.46 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -161.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 t -149.17 70.85 1.1 Allowed 'General case' 0 C--O 1.227 -0.097 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.9 m -79.4 89.2 4.99 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 123.503 0.721 . . . . 0.0 109.532 -176.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -90.8 158.56 16.76 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.983 169.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.45 ' CG2' HD12 ' A' ' 32' ' ' LEU . 1.9 m -150.6 152.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.5 pp -112.08 113.45 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 123.849 0.718 . . . . 0.0 110.158 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.3 mt -119.25 103.76 9.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 -174.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 57.13 66.58 1.13 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.017 0.527 . . . . 0.0 111.472 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 70.46 -7.89 0.96 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.303 1.441 . . . . 0.0 114.042 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -114.41 135.58 53.93 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.6 1.16 . . . . 0.0 109.915 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 t -97.61 123.66 50.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 C-N-CA 124.773 1.229 . . . . 0.0 107.882 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -115.79 128.17 55.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -84.66 125.84 32.85 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 164.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.629 HD11 ' HAB' ' A' ' 96' ' ' HEM . 68.0 mt -122.6 22.74 9.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -56.46 -46.24 80.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.417 1.487 . . . . 0.0 110.664 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -92.57 9.4 34.8 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -107.19 -13.87 15.05 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 118.434 0.561 . . . . 0.0 110.741 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.4 mt -43.8 -60.44 1.8 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.848 1.259 . . . . 0.0 112.324 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.8 -37.99 67.35 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.055 0.142 . . . . 0.0 111.031 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.46 -39.48 91.01 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.573 0.349 . . . . 0.0 111.939 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -46.12 113.37 2.1 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 125.07 1.348 . . . . 0.0 110.28 -175.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.74 76.82 1.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.841 2.361 . . . . 0.0 108.457 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.22 -27.74 0.26 Allowed Glycine 0 CA--C 1.531 1.074 0 C-N-CA 125.229 1.395 . . . . 0.0 110.613 -166.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.78 169.88 17.77 Favored Glycine 0 C--N 1.341 0.826 0 CA-C-O 122.033 0.796 . . . . 0.0 115.036 163.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -76.71 -48.17 19.66 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 113.977 -1.111 . . . . 0.0 109.205 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -57.83 -50.48 73.15 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.036 -0.415 . . . . 0.0 111.166 -167.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.1 m -54.36 -39.06 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 122.842 0.457 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.484 HD11 HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -61.41 -54.15 47.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.846 1.259 . . . . 0.0 110.422 171.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -18.69 61.42 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.776 1.231 . . . . 0.0 113.261 -168.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.41 -64.43 0.8 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.969 2.108 . . . . 0.0 111.795 176.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -79.7 -76.15 0.22 Allowed 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 51.62 161.87 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.262 1.825 . . . . 0.0 113.963 -172.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 36.57 56.86 1.23 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 126.052 1.787 . . . . 0.0 113.267 -175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.87 -168.64 39.19 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.06 70.32 0.15 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.502 2.721 . . . . 0.0 112.226 -167.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.62 -0.36 23.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 121.654 -0.654 . . . . 0.0 110.9 170.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -51.25 -52.56 43.7 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.276 0.63 . . . . 0.0 110.275 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -46.04 -60.06 2.49 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.87 0.868 . . . . 0.0 109.971 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -63.71 -43.88 95.3 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.76 0.79 . . . . 0.0 111.038 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -53.75 -47.18 70.89 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.476 -0.765 . . . . 0.0 111.388 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -80.64 -27.85 37.11 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.854 0.862 . . . . 0.0 111.731 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -51.6 -50.94 59.22 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.78 0.718 . . . . 0.0 109.113 168.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t -74.04 -29.42 25.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.149 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.39 -53.75 2.43 Favored Glycine 0 CA--C 1.525 0.666 0 O-C-N 120.866 -1.146 . . . . 0.0 111.01 171.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.7 m80 69.25 138.47 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.293 1.837 . . . . 0.0 113.949 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.62 156.97 37.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.15 1.38 . . . . 0.0 111.949 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 m -40.43 -50.34 2.87 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.85 1.66 . . . . 0.0 112.351 171.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.53 -53.33 11.54 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.738 1.215 . . . . 0.0 111.296 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.25 89.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.913 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -54.8 -53.69 51.91 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.441 0.564 . . . . 0.0 111.122 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -60.47 -44.87 95.44 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 119.868 -0.733 . . . . 0.0 110.661 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.78 -31.74 71.09 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 122.04 -0.412 . . . . 0.0 110.978 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -50.31 -49.48 53.54 Favored 'General case' 0 C--O 1.225 -0.236 0 O-C-N 121.562 -0.712 . . . . 0.0 109.434 169.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -56.71 -43.73 80.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.976 -0.452 . . . . 0.0 111.329 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.5 m -52.37 -26.96 13.8 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -103.14 1.79 33.69 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.613 1.165 . . . . 0.0 112.296 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 tt -65.63 123.29 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.4 -43.53 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 172.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.48 -151.06 7.67 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 119.388 -0.673 . . . . 0.0 111.571 -177.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -134.39 166.92 21.73 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.547 0.739 . . . . 0.0 110.375 -172.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 79' ' ' LEU . 12.9 mt -65.14 133.45 51.61 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 169.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -45.7 135.0 6.26 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 124.242 1.017 . . . . 0.0 111.869 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.438 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 28.0 Cg_endo -59.86 -32.03 94.72 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.259 2.639 . . . . 0.0 112.244 -171.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -43.27 -68.8 0.17 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.995 1.718 . . . . 0.0 110.881 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.69 -39.31 88.03 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.438 ' HB3' ' HA ' ' A' ' 81' ' ' PRO . 4.0 tmt_? -49.58 -47.27 49.51 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.056 -1.028 . . . . 0.0 113.078 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 t -62.88 -20.37 65.07 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 121.752 -0.592 . . . . 0.0 112.096 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -140.6 64.91 1.42 Allowed 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 -174.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 26.6 mt -70.42 70.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.176 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 161.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.4 144.24 31.61 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 105.144 -2.169 . . . . 0.0 105.144 154.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -83.48 133.62 46.75 Favored Pre-proline 0 N--CA 1.434 -1.235 0 CA-C-N 112.852 -1.976 . . . . 0.0 106.601 -140.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -52.29 135.05 52.93 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 121.04 1.16 . . . . 0.0 110.093 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.76 71.07 0.34 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 149.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 61.52 147.45 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 125.743 1.902 . . . . 0.0 115.439 129.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.5 p 134.92 126.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.447 -0.783 . . . . 0.0 111.151 111.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.86 1.664 . . . . 0.0 112.194 148.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HEM . . . . . 0.629 ' HAB' HD11 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_