data_1a2s_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 1a2s _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' ' ' GLU . . . . . . . . . . . . 2.448 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 115.944 -1.979 . . . . 0.0 105.769 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 123.98 152.86 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 128.482 2.713 . . . . 0.0 110.803 172.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -131.05 125.32 32.91 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 157.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -47.59 -38.43 14.47 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.277 1.431 . . . . 0.0 111.236 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.41 -53.36 14.19 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.37 0.668 . . . . 0.0 110.57 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.0 tp -73.62 -54.58 7.82 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.47 -47.17 23.03 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 123.343 0.497 . . . . 0.0 112.69 -171.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -33.85 70.41 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.843 -0.798 . . . . 0.0 110.171 -176.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.53 83.95 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.6 t -62.27 -54.99 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -45.44 -51.9 10.85 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.176 0.59 . . . . 0.0 111.124 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -46.53 -43.85 17.31 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.698 1.599 . . . . 0.0 111.79 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.92 -31.9 7.87 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -101.11 -49.93 3.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 117.27 0.535 . . . . 0.0 111.417 -163.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 m -98.67 -38.77 8.98 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.359 0.664 . . . . 0.0 110.145 -167.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.78 68.53 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.868 1.267 . . . . 0.0 109.791 -169.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.98 -33.24 7.52 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.53 0.732 . . . . 0.0 112.199 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.4 m -102.32 -57.66 2.02 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 168.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -95.19 19.94 9.88 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -163.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.39 122.08 1.26 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.776 1.171 . . . . 0.0 112.804 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.47 31.4 79.46 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.572 0.606 . . . . 0.0 112.892 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.83 50.96 26.84 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.7 -149.3 8.61 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.197 0.903 . . . . 0.0 110.893 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -161.91 174.44 13.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -120.08 -55.82 2.04 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.664 1.185 . . . . 0.0 108.037 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.5 -50.77 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.449 0.7 . . . . 0.0 111.127 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mm -118.44 92.86 44.42 Favored Pre-proline 0 N--CA 1.464 0.273 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -77.03 61.02 7.08 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.333 2.688 . . . . 0.0 111.414 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -160.5 -45.97 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.708 1.603 . . . . 0.0 109.211 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -66.87 94.15 0.3 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.387 1.475 . . . . 0.0 109.932 169.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.6 p -87.25 -131.04 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.256 1.022 . . . . 0.0 110.094 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.3 mt -145.0 39.34 1.21 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.89 1.276 . . . . 0.0 109.964 155.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.87 165.98 10.81 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.595 0.358 . . . . 0.0 110.738 168.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . 0.345 0.0 OUTLIER -58.75 -38.35 78.25 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -167.136 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -28.44 58.5 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.24 -63.97 1.25 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.3 mt -50.41 -51.8 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.389 -172.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -41.92 -40.22 2.09 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -104.41 -47.09 4.21 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.039 0.381 . . . . 0.0 111.962 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -82.01 -21.93 36.79 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -170.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.77 105.72 15.77 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 169.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.03 112.05 1.38 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.02 -26.27 5.63 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 124.412 1.006 . . . . 0.0 111.206 -169.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.92 176.04 48.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.676 0.655 . . . . 0.0 111.786 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -63.66 84.65 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.548 1.139 . . . . 0.0 112.613 -170.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -143.34 149.26 37.51 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.532 0.733 . . . . 0.0 109.4 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 tp -65.85 -46.4 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -58.04 -39.59 78.8 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.797 0.839 . . . . 0.0 109.941 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.19 70.86 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 122.593 0.357 . . . . 0.0 110.378 176.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.427 ' CG2' ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -58.28 -47.71 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.819 1.248 . . . . 0.0 109.479 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.6 t -52.36 -58.25 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 171.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -76.54 13.26 1.01 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.11 0.964 . . . . 0.0 113.271 -175.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.88 -50.85 1.82 Allowed 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -46.81 -45.84 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.226 0.921 . . . . 0.0 110.782 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -68.33 -35.37 77.67 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.445 -0.784 . . . . 0.0 112.514 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -83.5 -38.46 21.74 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 119.098 0.863 . . . . 0.0 110.322 -170.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.36 85.0 1.01 Allowed Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 174.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -83.56 119.54 24.85 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.167 0.587 . . . . 0.0 111.364 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.18 -137.3 29.44 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 171.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.14 51.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.747 0.819 . . . . 0.0 110.822 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.3 ttt -138.35 129.1 15.4 Favored Pre-proline 0 N--CA 1.446 -0.665 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.99 140.02 90.71 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.413 2.075 . . . . 0.0 109.748 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.76 136.87 38.2 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 173.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -109.72 7.26 24.24 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -53.29 -25.24 13.96 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.983 1.713 . . . . 0.0 114.911 -177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.95 19.02 8.4 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 125.158 1.361 . . . . 0.0 112.639 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -14.39 6.11 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 118.578 1.189 . . . . 0.0 113.48 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.18 -4.08 1.53 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -145.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 47.6 165.69 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.982 3.313 . . . . 0.0 116.854 171.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -58.59 -19.03 34.92 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 119.742 -1.849 . . . . 0.0 111.713 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.97 -72.88 0.36 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.37 -28.1 66.82 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.134 -0.936 . . . . 0.0 112.066 -168.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.6 mm -46.51 -45.74 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.548 1.067 . . . . 0.0 109.273 166.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.03 -53.31 11.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -43.76 -66.04 1.4 Allowed Glycine 0 CA--C 1.525 0.703 0 C-N-CA 125.489 1.519 . . . . 0.0 113.456 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.6 p -71.73 -32.86 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 O-C-N 122.416 -0.461 . . . . 0.0 110.578 -168.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.427 ' HB2' ' CG2' ' A' ' 50' ' ' ILE . . . -60.58 -52.42 65.26 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 175.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.25 -48.48 78.73 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.255 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -49.13 -64.48 0.79 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 123.189 0.305 . . . . 0.0 110.858 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.3 m -59.97 -37.79 73.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.722 -173.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -60.18 -44.85 94.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.562 0.745 . . . . 0.0 111.136 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.54 -55.51 33.87 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.342 0.519 . . . . 0.0 109.79 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -49.56 -54.18 19.59 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.071 0.462 . . . . 0.0 110.63 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.19 -65.54 0.55 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.697 1.199 . . . . 0.0 109.977 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.2 -57.98 8.0 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.767 0.827 . . . . 0.0 109.907 -176.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.12 91.49 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 126.045 1.783 . . . . 0.0 113.707 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 82.97 17.24 0.29 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.755 1.622 . . . . 0.0 109.935 -163.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -75.74 3.71 9.29 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.662 1.185 . . . . 0.0 113.726 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.1 m95 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 116.938 -1.506 . . . . 0.0 109.764 174.21 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 2.448 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 115.944 -1.979 . . . . 0.0 105.769 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 123.98 152.86 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 128.482 2.713 . . . . 0.0 110.803 172.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -131.05 125.32 32.91 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 157.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -47.59 -38.43 14.47 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.277 1.431 . . . . 0.0 111.236 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.41 -53.36 14.19 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.37 0.668 . . . . 0.0 110.57 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.0 tp -73.62 -54.58 7.82 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.47 -47.17 23.03 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 123.343 0.497 . . . . 0.0 112.69 -171.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -33.85 70.41 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.843 -0.798 . . . . 0.0 110.171 -176.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.53 83.95 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.434 HG23 ' H ' ' A' ' 10' ' ' VAL . 1.6 t -62.27 -54.99 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -45.44 -51.9 10.85 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.176 0.59 . . . . 0.0 111.124 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -46.53 -43.85 17.31 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.698 1.599 . . . . 0.0 111.79 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.92 -31.9 7.87 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -101.11 -49.93 3.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 117.27 0.535 . . . . 0.0 111.417 -163.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 m -98.67 -38.77 8.98 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.359 0.664 . . . . 0.0 110.145 -167.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.78 68.53 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.868 1.267 . . . . 0.0 109.791 -169.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.98 -33.24 7.52 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.53 0.732 . . . . 0.0 112.199 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.4 m -102.32 -57.66 2.02 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 168.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -95.19 19.94 9.88 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -163.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.39 122.08 1.26 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.776 1.171 . . . . 0.0 112.804 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.47 31.4 79.46 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.572 0.606 . . . . 0.0 112.892 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.83 50.96 26.84 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.7 -149.3 8.61 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.197 0.903 . . . . 0.0 110.893 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -161.91 174.44 13.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -120.08 -55.82 2.04 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.664 1.185 . . . . 0.0 108.037 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.5 -50.77 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.449 0.7 . . . . 0.0 111.127 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mm -118.44 92.86 44.42 Favored Pre-proline 0 N--CA 1.464 0.273 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -77.03 61.02 7.08 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.333 2.688 . . . . 0.0 111.414 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -160.5 -45.97 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.708 1.603 . . . . 0.0 109.211 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -66.87 94.15 0.3 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.387 1.475 . . . . 0.0 109.932 169.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.6 p -87.25 -131.04 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.256 1.022 . . . . 0.0 110.094 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.3 mt -145.0 39.34 1.21 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.89 1.276 . . . . 0.0 109.964 155.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.87 165.98 10.81 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.595 0.358 . . . . 0.0 110.738 168.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . 0.345 0.0 OUTLIER -58.75 -38.35 78.25 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -167.136 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -28.44 58.5 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.24 -63.97 1.25 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.3 mt -50.41 -51.8 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.389 -172.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -41.92 -40.22 2.09 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -104.41 -47.09 4.21 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.039 0.381 . . . . 0.0 111.962 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -82.01 -21.93 36.79 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -170.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.77 105.72 15.77 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 169.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.03 112.05 1.38 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.02 -26.27 5.63 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 124.412 1.006 . . . . 0.0 111.206 -169.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.92 176.04 48.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.676 0.655 . . . . 0.0 111.786 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -63.66 84.65 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.548 1.139 . . . . 0.0 112.613 -170.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -143.34 149.26 37.51 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.532 0.733 . . . . 0.0 109.4 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 tp -65.85 -46.4 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -58.04 -39.59 78.8 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.797 0.839 . . . . 0.0 109.941 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.19 70.86 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 122.593 0.357 . . . . 0.0 110.378 176.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.653 ' CG2' ' HB1' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -58.28 -47.71 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.819 1.248 . . . . 0.0 109.479 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.6 t -52.36 -58.25 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 171.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -76.54 13.26 1.01 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.11 0.964 . . . . 0.0 113.271 -175.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.88 -50.85 1.82 Allowed 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -46.81 -45.84 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.226 0.921 . . . . 0.0 110.782 175.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -68.33 -35.37 77.67 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.445 -0.784 . . . . 0.0 112.514 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -83.5 -38.46 21.74 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 119.098 0.863 . . . . 0.0 110.322 -170.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.36 85.0 1.01 Allowed Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 174.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -83.56 119.54 24.85 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.167 0.587 . . . . 0.0 111.364 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.18 -137.3 29.44 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 171.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.14 51.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.747 0.819 . . . . 0.0 110.822 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.3 ttt -138.35 129.1 15.4 Favored Pre-proline 0 N--CA 1.446 -0.665 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.99 140.02 90.71 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.413 2.075 . . . . 0.0 109.748 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.76 136.87 38.2 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 173.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -109.72 7.26 24.24 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -53.29 -25.24 13.96 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.983 1.713 . . . . 0.0 114.911 -177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.95 19.02 8.4 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 125.158 1.361 . . . . 0.0 112.639 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -14.39 6.11 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 118.578 1.189 . . . . 0.0 113.48 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.18 -4.08 1.53 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -145.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 47.6 165.69 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.982 3.313 . . . . 0.0 116.854 171.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -58.59 -19.03 34.92 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 119.742 -1.849 . . . . 0.0 111.713 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.97 -72.88 0.36 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.37 -28.1 66.82 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.134 -0.936 . . . . 0.0 112.066 -168.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.6 mm -46.51 -45.74 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.548 1.067 . . . . 0.0 109.273 166.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.03 -53.31 11.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -43.76 -66.04 1.4 Allowed Glycine 0 CA--C 1.525 0.703 0 C-N-CA 125.489 1.519 . . . . 0.0 113.456 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.6 p -71.73 -32.86 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 O-C-N 122.416 -0.461 . . . . 0.0 110.578 -168.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.653 ' HB1' ' CG2' ' A' ' 50' ' ' ILE . . . -60.58 -52.42 65.26 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 175.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.25 -48.48 78.73 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.255 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -49.13 -64.48 0.79 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 123.189 0.305 . . . . 0.0 110.858 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.3 m -59.97 -37.79 73.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.722 -173.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -60.18 -44.85 94.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.562 0.745 . . . . 0.0 111.136 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.54 -55.51 33.87 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.342 0.519 . . . . 0.0 109.79 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -49.56 -54.18 19.59 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.071 0.462 . . . . 0.0 110.63 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.19 -65.54 0.55 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.697 1.199 . . . . 0.0 109.977 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.2 -57.98 8.0 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.767 0.827 . . . . 0.0 109.907 -176.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.12 91.49 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 126.045 1.783 . . . . 0.0 113.707 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 82.97 17.24 0.29 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.755 1.622 . . . . 0.0 109.935 -163.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -75.74 3.71 9.29 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.662 1.185 . . . . 0.0 113.726 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.1 m95 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 116.938 -1.506 . . . . 0.0 109.764 174.21 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HEC . . . . . 0.603 HBC3 HMC1 ' A' ' 90' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 2.448 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 115.944 -1.979 . . . . 0.0 105.769 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 123.98 152.86 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 128.482 2.713 . . . . 0.0 110.803 172.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -131.05 125.32 32.91 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 157.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -47.59 -38.43 14.47 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.277 1.431 . . . . 0.0 111.236 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.41 -53.36 14.19 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.37 0.668 . . . . 0.0 110.57 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.0 tp -73.62 -54.58 7.82 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.47 -47.17 23.03 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 123.343 0.497 . . . . 0.0 112.69 -171.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -33.85 70.41 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 121.843 -0.798 . . . . 0.0 110.171 -176.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.53 83.95 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.434 HG23 ' H ' ' A' ' 10' ' ' VAL . 1.6 t -62.27 -54.99 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -45.44 -51.9 10.85 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 123.176 0.59 . . . . 0.0 111.124 -173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -46.53 -43.85 17.31 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.698 1.599 . . . . 0.0 111.79 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.92 -31.9 7.87 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -101.11 -49.93 3.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 117.27 0.535 . . . . 0.0 111.417 -163.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 m -98.67 -38.77 8.98 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.359 0.664 . . . . 0.0 110.145 -167.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.02 -34.78 68.53 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.868 1.267 . . . . 0.0 109.791 -169.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.98 -33.24 7.52 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 123.53 0.732 . . . . 0.0 112.199 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.4 m -102.32 -57.66 2.02 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 168.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -95.19 19.94 9.88 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 -163.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.39 122.08 1.26 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.776 1.171 . . . . 0.0 112.804 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.47 31.4 79.46 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.572 0.606 . . . . 0.0 112.892 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.83 50.96 26.84 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.7 -149.3 8.61 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.197 0.903 . . . . 0.0 110.893 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -161.91 174.44 13.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -120.08 -55.82 2.04 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 124.664 1.185 . . . . 0.0 108.037 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.5 -50.77 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.449 0.7 . . . . 0.0 111.127 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mm -118.44 92.86 44.42 Favored Pre-proline 0 N--CA 1.464 0.273 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -77.03 61.02 7.08 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.333 2.688 . . . . 0.0 111.414 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -160.5 -45.97 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.708 1.603 . . . . 0.0 109.211 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -66.87 94.15 0.3 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.387 1.475 . . . . 0.0 109.932 169.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.6 p -87.25 -131.04 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.256 1.022 . . . . 0.0 110.094 -176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.3 mt -145.0 39.34 1.21 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.89 1.276 . . . . 0.0 109.964 155.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.87 165.98 10.81 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.595 0.358 . . . . 0.0 110.738 168.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . 0.345 0.0 OUTLIER -58.75 -38.35 78.25 Favored 'General case' 0 C--N 1.342 0.257 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -167.136 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.24 -28.44 58.5 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.24 -63.97 1.25 Allowed 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.3 mt -50.41 -51.8 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.389 -172.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -41.92 -40.22 2.09 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -104.41 -47.09 4.21 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.039 0.381 . . . . 0.0 111.962 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -82.01 -21.93 36.79 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -170.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.77 105.72 15.77 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 169.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.03 112.05 1.38 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.02 -26.27 5.63 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 124.412 1.006 . . . . 0.0 111.206 -169.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.92 176.04 48.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.676 0.655 . . . . 0.0 111.786 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -63.66 84.65 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.548 1.139 . . . . 0.0 112.613 -170.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -143.34 149.26 37.51 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.532 0.733 . . . . 0.0 109.4 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 tp -65.85 -46.4 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -58.04 -39.59 78.8 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 123.797 0.839 . . . . 0.0 109.941 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.39 -50.19 70.86 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 122.593 0.357 . . . . 0.0 110.378 176.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.653 ' CG2' ' HB1' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -58.28 -47.71 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.819 1.248 . . . . 0.0 109.479 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.6 t -52.36 -58.25 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 171.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -76.54 13.26 1.01 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.11 0.964 . . . . 0.0 113.271 -175.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.88 -50.85 1.82 Allowed 'General case' 0 C--O 1.218 -0.598 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -46.81 -45.84 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 119.226 0.921 . . . . 0.0 110.782 175.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -68.33 -35.37 77.67 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.445 -0.784 . . . . 0.0 112.514 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -83.5 -38.46 21.74 Favored 'General case' 0 C--N 1.339 0.111 0 CA-C-N 119.098 0.863 . . . . 0.0 110.322 -170.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.36 85.0 1.01 Allowed Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 174.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -83.56 119.54 24.85 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.167 0.587 . . . . 0.0 111.364 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.18 -137.3 29.44 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 171.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.14 51.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.747 0.819 . . . . 0.0 110.822 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.3 ttt -138.35 129.1 15.4 Favored Pre-proline 0 N--CA 1.446 -0.665 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -59.99 140.02 90.71 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.413 2.075 . . . . 0.0 109.748 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.76 136.87 38.2 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 173.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -109.72 7.26 24.24 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -172.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -53.29 -25.24 13.96 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.983 1.713 . . . . 0.0 114.911 -177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.95 19.02 8.4 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 125.158 1.361 . . . . 0.0 112.639 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -14.39 6.11 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 118.578 1.189 . . . . 0.0 113.48 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.18 -4.08 1.53 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -145.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 47.6 165.69 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.982 3.313 . . . . 0.0 116.854 171.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -58.59 -19.03 34.92 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 119.742 -1.849 . . . . 0.0 111.713 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.97 -72.88 0.36 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -68.37 -28.1 66.82 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.134 -0.936 . . . . 0.0 112.066 -168.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.6 mm -46.51 -45.74 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 119.548 1.067 . . . . 0.0 109.273 166.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.03 -53.31 11.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -43.76 -66.04 1.4 Allowed Glycine 0 CA--C 1.525 0.703 0 C-N-CA 125.489 1.519 . . . . 0.0 113.456 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.6 p -71.73 -32.86 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 O-C-N 122.416 -0.461 . . . . 0.0 110.578 -168.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.653 ' HB1' ' CG2' ' A' ' 50' ' ' ILE . . . -60.58 -52.42 65.26 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 175.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.25 -48.48 78.73 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.255 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -49.13 -64.48 0.79 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 123.189 0.305 . . . . 0.0 110.858 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.3 m -59.97 -37.79 73.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.722 -173.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -60.18 -44.85 94.74 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.562 0.745 . . . . 0.0 111.136 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.54 -55.51 33.87 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.342 0.519 . . . . 0.0 109.79 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -49.56 -54.18 19.59 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.071 0.462 . . . . 0.0 110.63 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.19 -65.54 0.55 Allowed 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 124.697 1.199 . . . . 0.0 109.977 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.2 -57.98 8.0 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.767 0.827 . . . . 0.0 109.907 -176.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.78 -38.12 91.49 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 126.045 1.783 . . . . 0.0 113.707 -173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 82.97 17.24 0.29 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.755 1.622 . . . . 0.0 109.935 -163.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -75.74 3.71 9.29 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.662 1.185 . . . . 0.0 113.726 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 9.1 m95 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 116.938 -1.506 . . . . 0.0 109.764 174.21 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HEC . . . . . 0.603 HBC3 HMC1 ' A' ' 90' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_