data_1akk_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 1akk _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.39 0 N-CA-C 108.451 -1.859 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -164.69 125.57 2.07 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 118.597 1.199 . . . . 0.0 108.867 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.22 -40.29 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.863 0.865 . . . . 0.0 110.592 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.82 -53.4 40.65 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -173.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -61.9 -47.26 85.75 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.8 -31.39 75.55 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.858 -0.412 . . . . 0.0 112.609 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -40.5 -43.52 1.86 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.275 1.43 . . . . 0.0 112.411 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -107.54 0.15 22.48 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.206 0.602 . . . . 0.0 112.184 -173.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tt -87.03 -46.77 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -175.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -50.03 -58.81 4.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.6 m -66.94 -48.91 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.329 -167.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.19 -36.12 68.03 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.98 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -69.88 -41.17 75.13 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 118.501 -1.28 . . . . 0.0 111.909 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.3 p -168.09 26.28 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -154.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.83 -34.65 77.13 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 120.404 -1.435 . . . . 0.0 111.999 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -53.59 -33.37 54.66 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.428 -0.795 . . . . 0.0 111.855 -168.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.2 m -90.67 -28.27 18.47 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.318 1.447 . . . . 0.0 112.292 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -133.64 156.99 46.89 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 122.441 1.115 . . . . 0.0 113.519 -160.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -126.35 157.66 37.87 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.41 1.884 . . . . 0.0 107.871 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m -111.38 -10.28 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.869 0.868 . . . . 0.0 112.666 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -158.4 -61.22 0.08 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.432 1.093 . . . . 0.0 110.424 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -153.69 172.13 17.75 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.941 1.296 . . . . 0.0 110.901 -164.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 -61.79 4.68 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.982 0.801 . . . . 0.0 111.284 168.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.83 134.53 40.8 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -108.82 166.16 11.02 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 124.938 1.295 . . . . 0.0 109.084 -171.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -70.71 68.18 0.39 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.232 1.013 . . . . 0.0 110.915 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -76.47 -63.6 1.3 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.959 0.903 . . . . 0.0 108.987 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.0 m -152.94 21.19 0.58 Allowed 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.742 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.53 144.98 9.69 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 105.497 -3.041 . . . . 0.0 105.497 173.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.41 149.12 14.77 Favored 'Trans proline' 0 N--CA 1.443 -1.474 0 C-N-CA 121.83 1.686 . . . . 0.0 111.841 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -65.27 107.66 1.67 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.208 1.403 . . . . 0.0 111.964 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.23 59.83 2.36 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.131 1.773 . . . . 0.0 110.973 -171.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.97 6.16 12.05 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.89 100.81 0.16 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.68 -146.75 0.41 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 43.64 58.73 3.38 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.956 1.302 . . . . 0.0 113.844 156.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.17 -42.84 1.41 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -171.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -63.89 158.88 20.98 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 122.129 -0.63 . . . . 0.0 110.495 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -79.5 172.96 13.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.124 0.97 . . . . 0.0 111.096 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 p -61.79 -124.74 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.308 1.843 . . . . 0.0 110.746 161.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.28 133.85 41.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 120.534 -1.354 . . . . 0.0 110.942 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 140.12 52.58 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 130.987 3.715 . . . . 0.0 107.606 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.27 141.92 62.61 Favored Pre-proline 0 CA--C 1.536 0.428 0 O-C-N 121.924 -0.485 . . . . 0.0 110.231 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.35 102.85 1.52 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.826 2.351 . . . . 0.0 110.295 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.72 59.64 8.93 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -150.3 169.1 22.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -129.18 77.05 1.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.131 1.372 . . . . 0.0 108.157 -170.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -73.57 164.62 26.41 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.68 0.792 . . . . 0.0 109.882 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.434 ' H ' ' CGD' ' A' ' 105' ' ' HEC . 30.8 p -79.48 158.01 27.35 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.666 0.746 . . . . 0.0 110.06 171.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.05 -21.14 29.12 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.418 174.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.32 -51.74 68.24 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.981 -1.075 . . . . 0.0 110.651 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.446 HD22 ' CGA' ' A' ' 105' ' ' HEC . 58.9 t30 -67.33 -42.66 83.23 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.863 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -47.94 -45.61 31.23 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.845 0.858 . . . . 0.0 112.067 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -60.72 -34.04 73.79 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.265 0.626 . . . . 0.0 110.859 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.25 128.49 35.64 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.23 58.56 0.46 Allowed Glycine 0 C--N 1.332 0.334 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -163.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 pt -133.72 178.92 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.6 t -73.05 134.95 44.78 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -69.89 146.01 51.57 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 153.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -171.21 157.68 5.16 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -175.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.77 -43.13 72.5 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.693 0.797 . . . . 0.0 111.536 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -46.42 -54.42 9.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.407 1.483 . . . . 0.0 111.97 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -39.6 73.0 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.798 1.239 . . . . 0.0 111.376 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -60.68 -41.02 94.29 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 117.306 -1.33 . . . . 0.0 110.146 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -54.39 -49.0 70.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 121.826 2.103 . . . . 0.0 112.704 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.61 -54.83 27.74 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.276 1.43 . . . . 0.0 109.942 171.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.52 -32.89 73.9 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.92 -41.87 15.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.073 1.349 . . . . 0.0 110.142 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -53.3 -50.61 64.54 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 172.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -161.15 95.64 1.38 Allowed Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 119.138 -0.458 . . . . 0.0 111.624 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -63.21 -27.43 72.53 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.524 1.483 . . . . 0.0 111.923 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -56.99 -31.51 65.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -71.65 -8.92 57.1 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.469 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -130.09 -48.59 1.11 Allowed 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.433 1.015 . . . . 0.0 112.527 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.4 mt -140.22 81.49 18.17 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.24 -36.27 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.024 1.816 . . . . 0.0 113.189 -174.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.94 40.59 1.67 Allowed Glycine 0 CA--C 1.53 1.016 0 CA-C-N 118.935 0.789 . . . . 0.0 111.951 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.04 145.23 50.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.719 2.008 . . . . 0.0 105.669 -170.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -65.85 -15.98 63.4 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -167.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -67.16 81.93 0.13 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.473 1.509 . . . . 0.0 111.701 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 53.71 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 121.411 -0.806 . . . . 0.0 111.933 171.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -85.11 132.58 34.29 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.403 -0.81 . . . . 0.0 109.389 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.68 -66.6 0.84 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.947 0.499 . . . . 0.0 111.996 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 171.43 38.42 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 -173.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.405 ' CG2' ' CB ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -142.13 -178.99 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 125.909 1.683 . . . . 0.0 108.867 -169.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -42.05 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.795 1.238 . . . . 0.0 113.16 -170.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tttt 177.18 -59.37 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.785 1.234 . . . . 0.0 110.972 166.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -133.21 -33.67 1.12 Allowed 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.889 -159.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 m -76.86 -34.81 57.79 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.405 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -47.43 -48.98 26.22 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.009 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.23 0.29 6.61 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.643 1.177 . . . . 0.0 111.246 -174.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.28 -45.17 3.78 Favored 'General case' 0 N--CA 1.432 -1.372 0 C-N-CA 125.647 1.579 . . . . 0.0 107.342 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -73.03 -54.31 8.89 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 124.077 0.951 . . . . 0.0 110.378 -170.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.1 -47.75 84.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 122.023 0.916 . . . . 0.0 109.157 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -33.94 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 125.08 1.352 . . . . 0.0 110.543 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.5 97.42 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.25 -54.65 16.19 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.26 -35.48 79.09 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.766 -1.209 . . . . 0.0 112.519 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -62.02 -20.25 63.72 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.746 0.703 . . . . 0.0 111.245 172.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -80.69 -52.85 7.08 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 169.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.6 -54.59 39.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.853 -0.529 . . . . 0.0 112.145 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.25 29.55 0.35 Allowed 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.404 -0.81 . . . . 0.0 112.794 -167.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -169.98 -53.83 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -151.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.25 10.8 mm-40 . . . . . 0 C--O 1.247 0.966 0 C-N-CA 128.206 2.602 . . . . 0.0 111.119 -158.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HEC . . . . . 0.446 ' CGA' HD22 ' A' ' 52' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.39 0 N-CA-C 108.451 -1.859 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -164.69 125.57 2.07 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 118.597 1.199 . . . . 0.0 108.867 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.22 -40.29 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.863 0.865 . . . . 0.0 110.592 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.82 -53.4 40.65 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -173.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -61.9 -47.26 85.75 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.8 -31.39 75.55 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.858 -0.412 . . . . 0.0 112.609 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -40.5 -43.52 1.86 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.275 1.43 . . . . 0.0 112.411 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -107.54 0.15 22.48 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.206 0.602 . . . . 0.0 112.184 -173.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tt -87.03 -46.77 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -175.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -50.03 -58.81 4.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.578 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 26.6 m -66.94 -48.91 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.329 -167.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.19 -36.12 68.03 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.98 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -69.88 -41.17 75.13 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 118.501 -1.28 . . . . 0.0 111.909 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.3 p -168.09 26.28 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -154.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . . . -67.83 -34.65 77.13 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 120.404 -1.435 . . . . 0.0 111.999 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.59 -33.37 54.66 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.428 -0.795 . . . . 0.0 111.855 -168.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.2 m -90.67 -28.27 18.47 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.318 1.447 . . . . 0.0 112.292 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -133.64 156.99 46.89 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 122.441 1.115 . . . . 0.0 113.519 -160.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -126.35 157.66 37.87 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.41 1.884 . . . . 0.0 107.871 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m -111.38 -10.28 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.869 0.868 . . . . 0.0 112.666 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -158.4 -61.22 0.08 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.432 1.093 . . . . 0.0 110.424 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -153.69 172.13 17.75 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.941 1.296 . . . . 0.0 110.901 -164.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 -61.79 4.68 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.982 0.801 . . . . 0.0 111.284 168.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.83 134.53 40.8 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -108.82 166.16 11.02 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 124.938 1.295 . . . . 0.0 109.084 -171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -70.71 68.18 0.39 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.232 1.013 . . . . 0.0 110.915 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -76.47 -63.6 1.3 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.959 0.903 . . . . 0.0 108.987 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.431 ' O ' HMD3 ' A' ' 105' ' ' HEC . 5.0 m -152.94 21.19 0.58 Allowed 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.742 -173.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.53 144.98 9.69 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 105.497 -3.041 . . . . 0.0 105.497 173.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.41 149.12 14.77 Favored 'Trans proline' 0 N--CA 1.443 -1.474 0 C-N-CA 121.83 1.686 . . . . 0.0 111.841 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -65.27 107.66 1.67 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.208 1.403 . . . . 0.0 111.964 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.23 59.83 2.36 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.131 1.773 . . . . 0.0 110.973 -171.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.97 6.16 12.05 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.89 100.81 0.16 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -174.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.68 -146.75 0.41 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 43.64 58.73 3.38 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.956 1.302 . . . . 0.0 113.844 156.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.17 -42.84 1.41 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -171.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -63.89 158.88 20.98 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 122.129 -0.63 . . . . 0.0 110.495 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -79.5 172.96 13.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.124 0.97 . . . . 0.0 111.096 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 p -61.79 -124.74 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.308 1.843 . . . . 0.0 110.746 161.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.28 133.85 41.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 120.534 -1.354 . . . . 0.0 110.942 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 140.12 52.58 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 130.987 3.715 . . . . 0.0 107.606 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.27 141.92 62.61 Favored Pre-proline 0 CA--C 1.536 0.428 0 O-C-N 121.924 -0.485 . . . . 0.0 110.231 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.35 102.85 1.52 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.826 2.351 . . . . 0.0 110.295 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.72 59.64 8.93 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -150.3 169.1 22.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -129.18 77.05 1.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.131 1.372 . . . . 0.0 108.157 -170.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -73.57 164.62 26.41 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.68 0.792 . . . . 0.0 109.882 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.427 ' H ' ' CGD' ' A' ' 105' ' ' HEC . 30.8 p -79.48 158.01 27.35 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.666 0.746 . . . . 0.0 110.06 171.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 2.0 m-20 -57.05 -21.14 29.12 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.418 174.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.32 -51.74 68.24 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.981 -1.075 . . . . 0.0 110.651 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -67.33 -42.66 83.23 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.863 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 50' ' ' ASP . 81.3 tttt -47.94 -45.61 31.23 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.845 0.858 . . . . 0.0 112.067 175.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -60.72 -34.04 73.79 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.265 0.626 . . . . 0.0 110.859 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.25 128.49 35.64 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.23 58.56 0.46 Allowed Glycine 0 C--N 1.332 0.334 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -163.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 pt -133.72 178.92 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.6 t -73.05 134.95 44.78 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -69.89 146.01 51.57 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 153.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -171.21 157.68 5.16 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -175.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.77 -43.13 72.5 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.693 0.797 . . . . 0.0 111.536 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -46.42 -54.42 9.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.407 1.483 . . . . 0.0 111.97 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -39.6 73.0 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.798 1.239 . . . . 0.0 111.376 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -60.68 -41.02 94.29 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 117.306 -1.33 . . . . 0.0 110.146 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -54.39 -49.0 70.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 121.826 2.103 . . . . 0.0 112.704 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.61 -54.83 27.74 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.276 1.43 . . . . 0.0 109.942 171.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.52 -32.89 73.9 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.92 -41.87 15.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.073 1.349 . . . . 0.0 110.142 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -53.3 -50.61 64.54 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 172.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -161.15 95.64 1.38 Allowed Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 119.138 -0.458 . . . . 0.0 111.624 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -63.21 -27.43 72.53 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.524 1.483 . . . . 0.0 111.923 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -56.99 -31.51 65.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -71.65 -8.92 57.1 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.469 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -130.09 -48.59 1.11 Allowed 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.433 1.015 . . . . 0.0 112.527 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.4 mt -140.22 81.49 18.17 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.24 -36.27 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.024 1.816 . . . . 0.0 113.189 -174.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.94 40.59 1.67 Allowed Glycine 0 CA--C 1.53 1.016 0 CA-C-N 118.935 0.789 . . . . 0.0 111.951 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.04 145.23 50.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.719 2.008 . . . . 0.0 105.669 -170.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -65.85 -15.98 63.4 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -167.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -67.16 81.93 0.13 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.473 1.509 . . . . 0.0 111.701 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 53.71 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 121.411 -0.806 . . . . 0.0 111.933 171.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -85.11 132.58 34.29 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.403 -0.81 . . . . 0.0 109.389 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.68 -66.6 0.84 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.947 0.499 . . . . 0.0 111.996 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 171.43 38.42 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 -173.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.405 ' CG2' ' CB ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -142.13 -178.99 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 125.909 1.683 . . . . 0.0 108.867 -169.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -42.05 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.795 1.238 . . . . 0.0 113.16 -170.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tttt 177.18 -59.37 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.785 1.234 . . . . 0.0 110.972 166.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -133.21 -33.67 1.12 Allowed 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.889 -159.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 m -76.86 -34.81 57.79 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.405 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -47.43 -48.98 26.22 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.009 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.23 0.29 6.61 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.643 1.177 . . . . 0.0 111.246 -174.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.28 -45.17 3.78 Favored 'General case' 0 N--CA 1.432 -1.372 0 C-N-CA 125.647 1.579 . . . . 0.0 107.342 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -73.03 -54.31 8.89 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 124.077 0.951 . . . . 0.0 110.378 -170.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.1 -47.75 84.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 122.023 0.916 . . . . 0.0 109.157 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -33.94 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 125.08 1.352 . . . . 0.0 110.543 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.5 97.42 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.25 -54.65 16.19 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.26 -35.48 79.09 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.766 -1.209 . . . . 0.0 112.519 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -62.02 -20.25 63.72 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.746 0.703 . . . . 0.0 111.245 172.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -80.69 -52.85 7.08 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 169.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.6 -54.59 39.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.853 -0.529 . . . . 0.0 112.145 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.25 29.55 0.35 Allowed 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.404 -0.81 . . . . 0.0 112.794 -167.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -169.98 -53.83 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -151.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.25 10.8 mm-40 . . . . . 0 C--O 1.247 0.966 0 C-N-CA 128.206 2.602 . . . . 0.0 111.119 -158.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HEC . . . . . 0.79 HBB3 HMB1 ' A' ' 105' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.39 0 N-CA-C 108.451 -1.859 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -164.69 125.57 2.07 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 118.597 1.199 . . . . 0.0 108.867 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.22 -40.29 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 123.863 0.865 . . . . 0.0 110.592 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -65.82 -53.4 40.65 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -173.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -61.9 -47.26 85.75 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.8 -31.39 75.55 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.858 -0.412 . . . . 0.0 112.609 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -40.5 -43.52 1.86 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.275 1.43 . . . . 0.0 112.411 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -107.54 0.15 22.48 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.206 0.602 . . . . 0.0 112.184 -173.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tt -87.03 -46.77 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -175.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -50.03 -58.81 4.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.578 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 26.6 m -66.94 -48.91 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.329 -167.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.19 -36.12 68.03 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 119.096 -0.478 . . . . 0.0 110.98 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -69.88 -41.17 75.13 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 118.501 -1.28 . . . . 0.0 111.909 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.3 p -168.09 26.28 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -154.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.578 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . . . -67.83 -34.65 77.13 Favored 'General case' 0 C--O 1.224 -0.237 0 O-C-N 120.404 -1.435 . . . . 0.0 111.999 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -53.59 -33.37 54.66 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 121.428 -0.795 . . . . 0.0 111.855 -168.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.2 m -90.67 -28.27 18.47 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.318 1.447 . . . . 0.0 112.292 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -133.64 156.99 46.89 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 122.441 1.115 . . . . 0.0 113.519 -160.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -126.35 157.66 37.87 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 126.41 1.884 . . . . 0.0 107.871 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.4 m -111.38 -10.28 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.869 0.868 . . . . 0.0 112.666 173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -158.4 -61.22 0.08 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.432 1.093 . . . . 0.0 110.424 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -153.69 172.13 17.75 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.941 1.296 . . . . 0.0 110.901 -164.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.51 -61.79 4.68 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 123.982 0.801 . . . . 0.0 111.284 168.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.83 134.53 40.8 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -108.82 166.16 11.02 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 124.938 1.295 . . . . 0.0 109.084 -171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -70.71 68.18 0.39 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.232 1.013 . . . . 0.0 110.915 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -76.47 -63.6 1.3 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.959 0.903 . . . . 0.0 108.987 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.431 ' O ' HMD3 ' A' ' 105' ' ' HEC . 5.0 m -152.94 21.19 0.58 Allowed 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.742 -173.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.53 144.98 9.69 Favored Glycine 0 N--CA 1.437 -1.292 0 N-CA-C 105.497 -3.041 . . . . 0.0 105.497 173.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.41 149.12 14.77 Favored 'Trans proline' 0 N--CA 1.443 -1.474 0 C-N-CA 121.83 1.686 . . . . 0.0 111.841 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -65.27 107.66 1.67 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.208 1.403 . . . . 0.0 111.964 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.23 59.83 2.36 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.131 1.773 . . . . 0.0 110.973 -171.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.97 6.16 12.05 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.89 100.81 0.16 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -174.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.68 -146.75 0.41 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 43.64 58.73 3.38 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.956 1.302 . . . . 0.0 113.844 156.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.17 -42.84 1.41 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -171.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -63.89 158.88 20.98 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 122.129 -0.63 . . . . 0.0 110.495 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -79.5 172.96 13.09 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.124 0.97 . . . . 0.0 111.096 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 p -61.79 -124.74 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.308 1.843 . . . . 0.0 110.746 161.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -53.28 133.85 41.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 120.534 -1.354 . . . . 0.0 110.942 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 140.12 52.58 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 130.987 3.715 . . . . 0.0 107.606 -176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.27 141.92 62.61 Favored Pre-proline 0 CA--C 1.536 0.428 0 O-C-N 121.924 -0.485 . . . . 0.0 110.231 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.35 102.85 1.52 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.826 2.351 . . . . 0.0 110.295 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.72 59.64 8.93 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -150.3 169.1 22.17 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -129.18 77.05 1.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.131 1.372 . . . . 0.0 108.157 -170.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -73.57 164.62 26.41 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.68 0.792 . . . . 0.0 109.882 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.427 ' H ' ' CGD' ' A' ' 105' ' ' HEC . 30.8 p -79.48 158.01 27.35 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.666 0.746 . . . . 0.0 110.06 171.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 2.0 m-20 -57.05 -21.14 29.12 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.418 174.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.32 -51.74 68.24 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 120.981 -1.075 . . . . 0.0 110.651 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.456 HD21 ' CGA' ' A' ' 105' ' ' HEC . 58.9 t30 -67.33 -42.66 83.23 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.863 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 50' ' ' ASP . 81.3 tttt -47.94 -45.61 31.23 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.845 0.858 . . . . 0.0 112.067 175.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -60.72 -34.04 73.79 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.265 0.626 . . . . 0.0 110.859 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.25 128.49 35.64 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.23 58.56 0.46 Allowed Glycine 0 C--N 1.332 0.334 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -163.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 pt -133.72 178.92 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.6 t -73.05 134.95 44.78 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -69.89 146.01 51.57 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 153.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -171.21 157.68 5.16 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -175.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -54.77 -43.13 72.5 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.693 0.797 . . . . 0.0 111.536 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -46.42 -54.42 9.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.407 1.483 . . . . 0.0 111.97 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -39.6 73.0 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.798 1.239 . . . . 0.0 111.376 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mt -60.68 -41.02 94.29 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 117.306 -1.33 . . . . 0.0 110.146 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -54.39 -49.0 70.92 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 121.826 2.103 . . . . 0.0 112.704 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.61 -54.83 27.74 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.276 1.43 . . . . 0.0 109.942 171.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.52 -32.89 73.9 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.92 -41.87 15.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.073 1.349 . . . . 0.0 110.142 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -53.3 -50.61 64.54 Favored 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 172.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -161.15 95.64 1.38 Allowed Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 119.138 -0.458 . . . . 0.0 111.624 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -63.21 -27.43 72.53 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.524 1.483 . . . . 0.0 111.923 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -56.99 -31.51 65.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.007 0.432 . . . . 0.0 111.091 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -71.65 -8.92 57.1 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.772 -0.632 . . . . 0.0 111.469 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -130.09 -48.59 1.11 Allowed 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.433 1.015 . . . . 0.0 112.527 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.4 mt -140.22 81.49 18.17 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.24 -36.27 0.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.024 1.816 . . . . 0.0 113.189 -174.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.94 40.59 1.67 Allowed Glycine 0 CA--C 1.53 1.016 0 CA-C-N 118.935 0.789 . . . . 0.0 111.951 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.04 145.23 50.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.719 2.008 . . . . 0.0 105.669 -170.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -65.85 -15.98 63.4 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -167.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -67.16 81.93 0.13 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.473 1.509 . . . . 0.0 111.701 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.44 53.71 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 121.411 -0.806 . . . . 0.0 111.933 171.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -85.11 132.58 34.29 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.403 -0.81 . . . . 0.0 109.389 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.68 -66.6 0.84 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.947 0.499 . . . . 0.0 111.996 -170.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 171.43 38.42 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 -173.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.405 ' CG2' ' CB ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -142.13 -178.99 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.043 0 C-N-CA 125.909 1.683 . . . . 0.0 108.867 -169.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -42.05 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.795 1.238 . . . . 0.0 113.16 -170.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 tttt 177.18 -59.37 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.785 1.234 . . . . 0.0 110.972 166.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -133.21 -33.67 1.12 Allowed 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.889 -159.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 m -76.86 -34.81 57.79 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.405 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -47.43 -48.98 26.22 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.009 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.23 0.29 6.61 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.643 1.177 . . . . 0.0 111.246 -174.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.28 -45.17 3.78 Favored 'General case' 0 N--CA 1.432 -1.372 0 C-N-CA 125.647 1.579 . . . . 0.0 107.342 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -73.03 -54.31 8.89 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 124.077 0.951 . . . . 0.0 110.378 -170.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.1 -47.75 84.86 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 122.023 0.916 . . . . 0.0 109.157 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -33.94 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 125.08 1.352 . . . . 0.0 110.543 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.5 97.42 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.25 -54.65 16.19 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.26 -35.48 79.09 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 120.766 -1.209 . . . . 0.0 112.519 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -62.02 -20.25 63.72 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.746 0.703 . . . . 0.0 111.245 172.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -80.69 -52.85 7.08 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 169.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.6 -54.59 39.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.853 -0.529 . . . . 0.0 112.145 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.25 29.55 0.35 Allowed 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.404 -0.81 . . . . 0.0 112.794 -167.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -169.98 -53.83 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -151.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.25 10.8 mm-40 . . . . . 0 C--O 1.247 0.966 0 C-N-CA 128.206 2.602 . . . . 0.0 111.119 -158.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HEC . . . . . 0.79 HMB1 HBB3 ' A' ' 105' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_