data_1pks_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 1pks _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.515 0.674 . . . . 5.1100000000000003 109.431 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.87 166.92 11.28 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.345 -1.902 . . . . 1.74 108.345 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 47' ' ' GLU . 21.3 m-85 -91.08 111.13 22.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.775 -1.426 . . . . 2.3199999999999998 110.268 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.478 ' CG ' ' HA ' ' A' ' 31' ' ' THR . 9.3 mt-30 -97.39 128.47 44.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.324 -0.86 . . . . 1.98 108.994 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -116.54 179.11 4.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.771 -1.206 . . . . 2.1600000000000001 110.354 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' HD3' ' CD1' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -115.1 144.05 44.26 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.551 -0.907 . . . . 3.3900000000000001 108.551 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 26' ' ' LEU . . . -70.69 107.73 4.07 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.144 -0.972 . . . . 1.1699999999999999 109.884 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 8.0 mt -83.53 -28.6 28.52 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.144 -0.973 . . . . 1.6499999999999999 108.695 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 8.3 m-85 -131.32 172.78 11.77 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.486 -0.759 . . . . 1.4099999999999999 109.496 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 13' ' ' ASP . 14.5 p-10 -108.82 128.88 55.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.116 -0.99 . . . . 1.6499999999999999 110.011 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 44.0 t80 -118.14 151.61 37.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.318 -0.864 . . . . 2.2000000000000002 109.058 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' GLU . 1.4 mtpp -104.3 127.82 52.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.029 -1.044 . . . . 3.8599999999999999 109.185 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 11.1 tttt -54.18 88.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.414 -0.804 . . . . 2.8100000000000001 109.892 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -89.99 -76.35 0.43 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.237 -0.914 . . . . 2.5600000000000001 108.77 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -62.69 145.64 54.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.295 -0.878 . . . . 4.9900000000000002 108.845 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -61.53 -9.89 6.78 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.061 -1.024 . . . . 3.8500000000000001 110.321 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -30.5 14.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.021 -1.049 . . . . 2.8900000000000001 110.377 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 18' ' ' ARG . 46.9 p30 -80.71 168.55 18.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.963 -1.085 . . . . 1.45 110.024 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -123.28 -170.05 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.302 -0.874 . . . . 1.77 109.601 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' C ' HD23 ' A' ' 24' ' ' LEU . 1.2 m-20 -96.73 120.95 37.99 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.273 -0.892 . . . . 0.88 109.873 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 1.3 mm? -110.59 149.64 30.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.312 -0.867 . . . . 2.3599999999999999 109.55 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -152.61 134.38 14.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.177 -0.952 . . . . 1.4299999999999999 109.176 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -45.94 127.99 8.68 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.204 -0.935 . . . . 1.3899999999999999 109.612 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.33 6.34 56.68 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.608 -1.397 . . . . 0.52000000000000002 109.608 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.473 ' OD2' ' HB ' ' A' ' 62' ' ' THR . 2.6 t70 -90.17 163.35 14.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -1.133 . . . . 2.1299999999999999 109.48 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 60' ' ' ASN . 29.2 mm -118.04 124.64 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.098 -1.001 . . . . 1.5800000000000001 108.633 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.611 HD22 ' CD2' ' A' ' 69' ' ' PHE . 8.2 mp -109.06 114.77 28.8 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.078 -1.014 . . . . 1.5700000000000001 109.645 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.478 ' HA ' ' CG ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -94.3 91.83 6.91 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.85 -0.796 . . . . 1.1100000000000001 108.85 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG22 ' CZ ' ' A' ' 8' ' ' TYR . 91.3 t -100.12 112.78 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.909 . . . . 1.23 109.753 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -51.76 176.8 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.362 -0.836 . . . . 2.6000000000000001 109.687 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -90.8 -35.75 14.65 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.339 -0.851 . . . . 3.1099999999999999 109.668 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.23 -52.74 5.5 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.585 -1.406 . . . . 1.5900000000000001 109.585 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -22.24 1.22 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.172 -1.193 . . . . 2.1000000000000001 109.394 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.55 ' CD2' ' HA ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -89.91 -42.27 11.3 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.348 -0.845 . . . . 2.1800000000000002 109.452 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 58.3 t -81.35 2.29 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.352 -0.842 . . . . 1.4199999999999999 109.595 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.72 -9.23 13.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.233 -0.917 . . . . 1.77 109.437 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.675 ' CD1' ' CE2' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -95.01 -40.7 9.52 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.211 -0.931 . . . . 2.8100000000000001 109.186 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 42' ' ' PHE . . . 132.8 17.6 1.17 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.948 -1.261 . . . . 1.4199999999999999 109.948 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.675 ' CE2' ' CD1' ' A' ' 40' ' ' LEU . 15.7 m-85 -49.78 -177.44 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.05 -1.265 . . . . 2.3599999999999999 109.601 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.37 164.84 11.97 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.427 -0.953 . . . . 2.02 108.427 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -68.46 85.78 0.29 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.016 -1.052 . . . . 2.77 109.367 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.87 -19.38 2.36 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.825 -1.31 . . . . 1.8500000000000001 109.825 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.4 mt-30 -71.73 -35.47 70.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.116 -1.226 . . . . 3.1699999999999999 109.446 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.584 ' HG3' ' CZ ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -43.74 -26.89 0.28 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 3.3999999999999999 109.341 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' CB ' ' HD2' ' A' ' 76' ' ' TYR . . . -95.48 41.94 1.09 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 1.3400000000000001 109.926 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.24 66.25 4.25 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 121.261 -0.899 . . . . 3.71 109.209 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.606 ' CB ' ' CG2' ' A' ' 74' ' ' VAL . 4.2 Cg_exo -55.72 -40.01 87.76 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.226 1.951 . . . . 0.59999999999999998 110.244 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 52' ' ' GLU . 12.1 pt-20 -61.71 -34.97 76.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.302 -0.874 . . . . 2.3700000000000001 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 4.8 mt-10 -104.01 13.77 31.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.256 -0.902 . . . . 2.0800000000000001 109.43 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.512 HG21 ' CZ ' ' A' ' 42' ' ' PHE . 1.8 mt -99.55 -42.17 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.383 -0.823 . . . . 1.24 109.007 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.57 -76.88 0.24 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.352 -1.499 . . . . 0.5 109.352 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.484 ' CZ3' ' HA ' ' A' ' 69' ' ' PHE . 22.1 m95 -140.92 144.13 35.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -1.101 . . . . 0.59999999999999998 109.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.616 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -134.88 140.55 45.88 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.061 -1.024 . . . . 1.26 110.43 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.466 ' HB2' ' OD1' ' A' ' 68' ' ' ASP . 24.0 t-20 -94.77 104.65 16.57 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.561 -0.903 . . . . 1.54 108.561 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.518 ' CA ' HG23 ' A' ' 32' ' ' VAL . . . -124.33 179.54 16.1 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.47 -1.348 . . . . 0.5 110.344 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 53.7 t80 -111.26 107.95 17.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.678 -0.896 . . . . 1.0800000000000001 109.809 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 12.6 m-20 -78.13 88.37 4.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.097 -1.002 . . . . 1.6499999999999999 109.149 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.74 -35.67 66.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.289 -0.882 . . . . 2.25 109.751 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.473 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 55.6 m -53.61 -38.14 63.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 1.1699999999999999 109.211 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.99 4.61 21.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.433 -0.792 . . . . 2.0699999999999998 109.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.73 41.73 43.91 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.109 -1.597 . . . . 0.62 109.109 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -124.4 160.98 26.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -1.162 . . . . 2.1899999999999999 109.576 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -134.48 138.47 44.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.297 -0.877 . . . . 3.2799999999999998 109.264 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 57' ' ' ASN . . . 169.36 -172.41 43.48 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.473 -1.346 . . . . 0.45000000000000001 110.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' OD1' ' HB2' ' A' ' 57' ' ' ASN . 27.3 m-20 -93.45 163.96 13.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.422 -1.046 . . . . 2.02 109.383 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.616 ' CE1' ' HB2' ' A' ' 56' ' ' LEU . 1.9 p90 -162.8 161.15 19.41 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 2.2000000000000002 109.546 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' A' ' 73' ' ' TYR . 3.7 Cg_exo -61.51 114.28 2.17 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.899 1.733 . . . . 0.46999999999999997 109.239 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.577 ' CA ' ' CD1' ' A' ' 56' ' ' LEU . . . -58.54 -38.3 90.84 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.118 -1.039 . . . . 0.34999999999999998 110.633 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 p -54.02 -26.31 25.66 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.909 -1.347 . . . . 1.25 110.068 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 70' ' ' PRO . 14.9 m-30 -87.63 27.05 1.17 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.957 -1.09 . . . . 2.1299999999999999 110.796 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.606 ' CG2' ' CB ' ' A' ' 50' ' ' PRO . 32.7 m -142.66 179.48 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.095 -1.003 . . . . 1.1799999999999999 109.161 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 14.1 pt-20 -156.32 90.03 1.16 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.401 -0.812 . . . . 1.28 109.093 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.538 ' N ' ' HB3' ' A' ' 8' ' ' TYR . 4.0 t80 -43.74 132.11 5.16 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.245 -0.909 . . . . 2.3999999999999999 109.064 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.522 ' CD1' ' HD3' ' A' ' 9' ' ' ARG . 11.0 mt -123.68 -5.82 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.035 -1.041 . . . . 2.2400000000000002 110.193 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.74 -166.28 23.98 Favored Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.452 -1.356 . . . . 1.8899999999999999 110.265 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' NH1' ' HG3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.268 -1.136 . . . . 6.0499999999999998 109.233 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.515 0.674 . . . . 5.1100000000000003 109.431 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.87 166.92 11.28 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.345 -1.902 . . . . 1.3700000000000001 108.345 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.595 ' HD1' ' HH ' ' A' ' 76' ' ' TYR . 21.3 m-85 -91.08 111.13 22.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.775 -1.426 . . . . 1.45 110.268 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.627 ' HG2' HG23 ' A' ' 31' ' ' THR . 9.3 mt-30 -97.39 128.47 44.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.324 -0.86 . . . . 1.98 108.994 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.641 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -116.54 179.11 4.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.771 -1.206 . . . . 1.24 110.354 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' HD3' HD12 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -115.1 144.05 44.26 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.551 -0.907 . . . . 2.6899999999999999 108.551 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' HB3' ' H ' ' A' ' 28' ' ' ASP . . . -70.69 107.73 4.07 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.144 -0.972 . . . . 0.73999999999999999 109.884 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.61 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 8.0 mt -83.53 -28.6 28.52 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.144 -0.973 . . . . 1.1200000000000001 108.695 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.61 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 8.3 m-85 -131.32 172.78 11.77 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.486 -0.759 . . . . 1.05 109.496 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 13' ' ' ASP . 14.5 p-10 -108.82 128.88 55.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.116 -0.99 . . . . 1.6499999999999999 110.011 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.505 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 44.0 t80 -118.14 151.61 37.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.318 -0.864 . . . . 1.28 109.058 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' GLU . 1.4 mtpp -104.3 127.82 52.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.029 -1.044 . . . . 3.3999999999999999 109.185 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 11.1 tttt -54.18 88.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.414 -0.804 . . . . 2.3500000000000001 109.892 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -89.99 -76.35 0.43 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.237 -0.914 . . . . 2.5600000000000001 108.77 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -62.69 145.64 54.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.295 -0.878 . . . . 4.4199999999999999 108.845 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -61.53 -9.89 6.78 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.061 -1.024 . . . . 3.8500000000000001 110.321 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -30.5 14.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.021 -1.049 . . . . 2.8900000000000001 110.377 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 18' ' ' ARG . 46.9 p30 -80.71 168.55 18.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.963 -1.085 . . . . 1.45 110.024 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -123.28 -170.05 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.302 -0.874 . . . . 1.2 109.601 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.577 ' HB3' ' HE1' ' A' ' 25' ' ' HIS . 1.2 m-20 -96.73 120.95 37.99 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.273 -0.892 . . . . 0.88 109.873 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.095 HD11 HD21 ' A' ' 30' ' ' LEU . 1.3 mm? -110.59 149.64 30.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.312 -0.867 . . . . 1.74 109.55 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.577 ' HE1' ' HB3' ' A' ' 23' ' ' ASP . 3.8 m-70 -152.61 134.38 14.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.177 -0.952 . . . . 0.97999999999999998 109.176 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -45.94 127.99 8.68 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.204 -0.935 . . . . 0.79000000000000004 109.612 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.33 6.34 56.68 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.608 -1.397 . . . . 0.52000000000000002 109.608 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.621 ' OD1' ' ND2' ' A' ' 60' ' ' ASN . 2.6 t70 -90.17 163.35 14.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -1.133 . . . . 2.1299999999999999 109.48 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.722 ' C ' HD12 ' A' ' 30' ' ' LEU . 29.2 mm -118.04 124.64 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.098 -1.001 . . . . 0.89000000000000001 108.633 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.098 HD23 ' CE2' ' A' ' 69' ' ' PHE . 8.2 mp -109.06 114.77 28.8 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.078 -1.014 . . . . 0.89000000000000001 109.645 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.627 HG23 ' HG2' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -94.3 91.83 6.91 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.85 -0.796 . . . . 0.40000000000000002 108.85 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.785 HG22 ' CA ' ' A' ' 58' ' ' GLY . 91.3 t -100.12 112.78 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.909 . . . . 0.54000000000000004 109.753 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -51.76 176.8 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.362 -0.836 . . . . 2.0800000000000001 109.687 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -90.8 -35.75 14.65 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.339 -0.851 . . . . 2.75 109.668 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.23 -52.74 5.5 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.585 -1.406 . . . . 0.93000000000000005 109.585 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -22.24 1.22 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.172 -1.193 . . . . 1.8500000000000001 109.394 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.735 HD11 HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -89.91 -42.27 11.3 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.348 -0.845 . . . . 1.5900000000000001 109.452 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.662 ' O ' HG12 ' A' ' 38' ' ' VAL . 58.3 t -81.35 2.29 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.352 -0.842 . . . . 0.98999999999999999 109.595 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.72 -9.23 13.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.233 -0.917 . . . . 1.3899999999999999 109.437 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.857 HD12 ' CE2' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -95.01 -40.7 9.52 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.211 -0.931 . . . . 2.3199999999999998 109.186 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 42' ' ' PHE . . . 132.8 17.6 1.17 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.948 -1.261 . . . . 1.3600000000000001 109.948 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.857 ' CE2' HD12 ' A' ' 40' ' ' LEU . 15.7 m-85 -49.78 -177.44 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.05 -1.265 . . . . 1.52 109.601 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.37 164.84 11.97 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.427 -0.953 . . . . 1.78 108.427 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -68.46 85.78 0.29 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.016 -1.052 . . . . 2.77 109.367 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.87 -19.38 2.36 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.825 -1.31 . . . . 1.6000000000000001 109.825 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.4 mt-30 -71.73 -35.47 70.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.116 -1.226 . . . . 2.5 109.446 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.702 ' HA ' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -43.74 -26.89 0.28 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 3.3999999999999999 109.341 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 76' ' ' TYR . . . -95.48 41.94 1.09 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.84999999999999998 109.926 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.24 66.25 4.25 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 121.261 -0.899 . . . . 3.1299999999999999 109.209 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.606 ' CB ' ' CG2' ' A' ' 74' ' ' VAL . 4.2 Cg_exo -55.72 -40.01 87.76 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.226 1.951 . . . . 0.5 110.244 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 52' ' ' GLU . 12.1 pt-20 -61.71 -34.97 76.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.302 -0.874 . . . . 2.3700000000000001 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.49 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 4.8 mt-10 -104.01 13.77 31.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.256 -0.902 . . . . 2.0800000000000001 109.43 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.672 HG23 ' CZ ' ' A' ' 42' ' ' PHE . 1.8 mt -99.55 -42.17 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.383 -0.823 . . . . 0.68999999999999995 109.007 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.57 -76.88 0.24 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.352 -1.499 . . . . 0.44 109.352 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.495 ' CZ3' ' HA ' ' A' ' 69' ' ' PHE . 22.1 m95 -140.92 144.13 35.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -1.101 . . . . 0.54000000000000004 109.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.735 HD23 HD11 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -134.88 140.55 45.88 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.061 -1.024 . . . . 0.54000000000000004 110.43 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 68' ' ' ASP . 14.4 t30 -94.77 104.65 16.57 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.561 -0.903 . . . . 1.54 108.561 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.785 ' CA ' HG22 ' A' ' 32' ' ' VAL . . . -124.33 179.54 16.1 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.47 -1.348 . . . . 0.46000000000000002 110.344 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.482 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 53.7 t80 -111.26 107.95 17.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.678 -0.896 . . . . 0.68999999999999995 109.809 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.78 HD22 HD11 ' A' ' 30' ' ' LEU . 1.6 m120 -78.13 88.37 4.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.097 -1.002 . . . . 1.55 109.149 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.74 -35.67 66.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.289 -0.882 . . . . 2.25 109.751 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.483 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 55.6 m -53.61 -38.14 63.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.63 109.211 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.99 4.61 21.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.433 -0.792 . . . . 1.48 109.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.73 41.73 43.91 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.109 -1.597 . . . . 0.62 109.109 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -124.4 160.98 26.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -1.162 . . . . 2.1899999999999999 109.576 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -134.48 138.47 44.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.297 -0.877 . . . . 2.8199999999999998 109.264 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' ASN . . . 169.36 -172.41 43.48 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.473 -1.346 . . . . 0.40999999999999998 110.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 57' ' ' ASN . 27.3 m-20 -93.45 163.96 13.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.422 -1.046 . . . . 2.02 109.383 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 1.098 ' CE2' HD23 ' A' ' 30' ' ' LEU . 1.9 p90 -162.8 161.15 19.41 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 1.29 109.546 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.586 ' HG2' ' CD2' ' A' ' 73' ' ' TYR . 3.7 Cg_exo -61.51 114.28 2.17 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.899 1.733 . . . . 0.41999999999999998 109.239 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.985 ' O ' HG22 ' A' ' 74' ' ' VAL . . . -58.54 -38.3 90.84 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.118 -1.039 . . . . 0.34000000000000002 110.633 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 72' ' ' THR . 1.7 p -54.02 -26.31 25.66 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.909 -1.347 . . . . 0.56000000000000005 110.068 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.586 ' CD2' ' HG2' ' A' ' 70' ' ' PRO . 14.9 m-30 -87.63 27.05 1.17 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.957 -1.09 . . . . 1.25 110.796 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.985 HG22 ' O ' ' A' ' 71' ' ' GLY . 32.7 m -142.66 179.48 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.095 -1.003 . . . . 0.5 109.161 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.468 ' O ' HG13 ' A' ' 77' ' ' ILE . 14.1 pt-20 -156.32 90.03 1.16 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.401 -0.812 . . . . 1.28 109.093 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.595 ' HH ' ' HD1' ' A' ' 6' ' ' TYR . 4.0 t80 -43.74 132.11 5.16 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.245 -0.909 . . . . 1.55 109.064 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.587 HD12 ' HD3' ' A' ' 9' ' ' ARG . 11.0 mt -123.68 -5.82 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.035 -1.041 . . . . 1.6899999999999999 110.193 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.74 -166.28 23.98 Favored Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.452 -1.356 . . . . 1.29 110.265 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.425 ' NH1' ' HG3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.268 -1.136 . . . . 5.4100000000000001 109.233 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.515 0.674 . . . . 5.11 109.431 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.87 166.92 11.28 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.345 -1.902 . . . . 1.37 108.345 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.595 ' HD1' ' HH ' ' A' ' 76' ' ' TYR . 21.3 m-85 -91.08 111.13 22.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.775 -1.426 . . . . 1.45 110.268 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.627 ' HG2' HG23 ' A' ' 31' ' ' THR . 9.3 mt-30 -97.39 128.47 44.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.324 -0.86 . . . . 1.98 108.994 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.641 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -116.54 179.11 4.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.771 -1.206 . . . . 1.24 110.354 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' HD3' HD12 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -115.1 144.05 44.26 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.551 -0.907 . . . . 2.69 108.551 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' HB3' ' H ' ' A' ' 28' ' ' ASP . . . -70.69 107.73 4.07 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.144 -0.972 . . . . 0.74 109.884 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.61 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 8.0 mt -83.53 -28.6 28.52 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.144 -0.973 . . . . 1.12 108.695 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.61 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 8.3 m-85 -131.32 172.78 11.77 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.486 -0.759 . . . . 1.05 109.496 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 13' ' ' ASP . 14.5 p-10 -108.82 128.88 55.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.116 -0.99 . . . . 1.65 110.011 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.505 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 44.0 t80 -118.14 151.61 37.24 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.318 -0.864 . . . . 1.28 109.058 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 17' ' ' GLU . 1.4 mtpp -104.3 127.82 52.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.029 -1.044 . . . . 3.4 109.185 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HB2' ' OD1' ' A' ' 23' ' ' ASP . 11.1 tttt -54.18 88.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.414 -0.804 . . . . 2.35 109.892 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -89.99 -76.35 0.43 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.237 -0.914 . . . . 2.56 108.77 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -62.69 145.64 54.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.295 -0.878 . . . . 4.42 108.845 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -61.53 -9.89 6.78 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.061 -1.024 . . . . 3.85 110.321 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -30.5 14.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.021 -1.049 . . . . 2.89 110.377 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 18' ' ' ARG . 46.9 p30 -80.71 168.55 18.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.963 -1.085 . . . . 1.45 110.024 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.533 HD12 HD22 ' A' ' 60' ' ' ASN . 0.3 OUTLIER -123.28 -170.05 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.302 -0.874 . . . . 1.2 109.601 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' C ' HD22 ' A' ' 24' ' ' LEU . 1.2 m-20 -96.73 120.95 37.99 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.273 -0.892 . . . . 0.88 109.873 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.095 HD11 HD21 ' A' ' 30' ' ' LEU . 1.3 mm? -110.59 149.64 30.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.312 -0.867 . . . . 1.74 109.55 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -152.61 134.38 14.68 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.177 -0.952 . . . . 0.98 109.176 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -45.94 127.99 8.68 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.204 -0.935 . . . . 0.79 109.612 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.33 6.34 56.68 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.608 -1.397 . . . . 0.52 109.608 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.551 ' H ' ' HB3' ' A' ' 10' ' ' ALA . 2.6 t70 -90.17 163.35 14.86 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -1.133 . . . . 2.13 109.48 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.722 ' C ' HD12 ' A' ' 30' ' ' LEU . 29.2 mm -118.04 124.64 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.098 -1.001 . . . . 0.89 108.633 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.098 HD23 ' CE2' ' A' ' 69' ' ' PHE . 8.2 mp -109.06 114.77 28.8 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.078 -1.014 . . . . 0.89 109.645 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.627 HG23 ' HG2' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -94.3 91.83 6.91 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.85 -0.796 . . . . 0.4 108.85 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.785 HG22 ' CA ' ' A' ' 58' ' ' GLY . 91.3 t -100.12 112.78 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.909 . . . . 0.54 109.753 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -51.76 176.8 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.362 -0.836 . . . . 2.08 109.687 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -90.8 -35.75 14.65 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.339 -0.851 . . . . 2.75 109.668 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.23 -52.74 5.5 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.585 -1.406 . . . . 0.93 109.585 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.58 -22.24 1.22 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.172 -1.193 . . . . 1.85 109.394 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.735 HD11 HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -89.91 -42.27 11.3 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.348 -0.845 . . . . 1.59 109.452 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 38' ' ' VAL . 58.3 t -81.35 2.29 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.352 -0.842 . . . . 0.99 109.595 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.72 -9.23 13.19 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.233 -0.917 . . . . 1.39 109.437 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.857 HD12 ' CE2' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -95.01 -40.7 9.52 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.211 -0.931 . . . . 2.32 109.186 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 42' ' ' PHE . . . 132.8 17.6 1.17 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.948 -1.261 . . . . 1.36 109.948 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.857 ' CE2' HD12 ' A' ' 40' ' ' LEU . 15.7 m-85 -49.78 -177.44 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.05 -1.265 . . . . 1.52 109.601 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.37 164.84 11.97 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.427 -0.953 . . . . 1.78 108.427 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -68.46 85.78 0.29 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.016 -1.052 . . . . 2.77 109.367 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 142.87 -19.38 2.36 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.825 -1.31 . . . . 1.6 109.825 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.4 mt-30 -71.73 -35.47 70.16 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.116 -1.226 . . . . 2.5 109.446 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.702 ' HA ' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -43.74 -26.89 0.28 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 3.4 109.341 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 76' ' ' TYR . . . -95.48 41.94 1.09 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.225 -0.922 . . . . 0.85 109.926 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.24 66.25 4.25 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 121.261 -0.899 . . . . 3.13 109.209 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.606 ' CB ' ' CG2' ' A' ' 74' ' ' VAL . 4.2 Cg_exo -55.72 -40.01 87.76 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.226 1.951 . . . . 0.5 110.244 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 52' ' ' GLU . 12.1 pt-20 -61.71 -34.97 76.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.302 -0.874 . . . . 2.37 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.49 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 4.8 mt-10 -104.01 13.77 31.96 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.256 -0.902 . . . . 2.08 109.43 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.672 HG23 ' CZ ' ' A' ' 42' ' ' PHE . 1.8 mt -99.55 -42.17 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.383 -0.823 . . . . 0.69 109.007 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.57 -76.88 0.24 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.352 -1.499 . . . . 0.44 109.352 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.495 ' CZ3' ' HA ' ' A' ' 69' ' ' PHE . 22.1 m95 -140.92 144.13 35.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -1.101 . . . . 0.54 109.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.735 HD23 HD11 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -134.88 140.55 45.88 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.061 -1.024 . . . . 0.54 110.43 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.475 ' HA ' ' HA ' ' A' ' 68' ' ' ASP . 24.0 t-20 -94.77 104.65 16.57 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.561 -0.903 . . . . 1.54 108.561 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.785 ' CA ' HG22 ' A' ' 32' ' ' VAL . . . -124.33 179.54 16.1 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.47 -1.348 . . . . 0.46 110.344 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.482 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 53.7 t80 -111.26 107.95 17.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.678 -0.896 . . . . 0.69 109.809 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.533 HD22 HD12 ' A' ' 22' ' ' ILE . 12.6 m-20 -78.13 88.37 4.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.097 -1.002 . . . . 1.55 109.149 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.74 -35.67 66.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.289 -0.882 . . . . 2.25 109.751 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.483 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 55.6 m -53.61 -38.14 63.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.63 109.211 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.436 HG21 ' HE1' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -109.99 4.61 21.55 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.433 -0.792 . . . . 1.48 109.329 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 50.73 41.73 43.91 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.109 -1.597 . . . . 0.62 109.109 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -124.4 160.98 26.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -1.162 . . . . 2.19 109.576 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -134.48 138.47 44.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.297 -0.877 . . . . 2.82 109.264 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' ASN . . . 169.36 -172.41 43.48 Favored Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.473 -1.346 . . . . 0.41 110.263 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 57' ' ' ASN . 27.3 m-20 -93.45 163.96 13.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.422 -1.046 . . . . 2.02 109.383 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 1.098 ' CE2' HD23 ' A' ' 30' ' ' LEU . 1.9 p90 -162.8 161.15 19.41 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 1.29 109.546 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.586 ' HG2' ' CD2' ' A' ' 73' ' ' TYR . 3.7 Cg_exo -61.51 114.28 2.17 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.899 1.733 . . . . 0.42 109.239 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.985 ' O ' HG22 ' A' ' 74' ' ' VAL . . . -58.54 -38.3 90.84 Favored Glycine 0 N--CA 1.49 2.27 0 C-N-CA 120.118 -1.039 . . . . 0.34 110.633 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.422 ' H ' HG23 ' A' ' 72' ' ' THR . 1.7 p -54.02 -26.31 25.66 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.909 -1.347 . . . . 0.56 110.068 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.586 ' CD2' ' HG2' ' A' ' 70' ' ' PRO . 14.9 m-30 -87.63 27.05 1.17 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.957 -1.09 . . . . 1.25 110.796 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.985 HG22 ' O ' ' A' ' 71' ' ' GLY . 32.7 m -142.66 179.48 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.095 -1.003 . . . . 0.5 109.161 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.468 ' O ' HG13 ' A' ' 77' ' ' ILE . 14.1 pt-20 -156.32 90.03 1.16 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.401 -0.812 . . . . 1.28 109.093 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.595 ' HH ' ' HD1' ' A' ' 6' ' ' TYR . 4.0 t80 -43.74 132.11 5.16 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.245 -0.909 . . . . 1.55 109.064 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.587 HD12 ' HD3' ' A' ' 9' ' ' ARG . 11.0 mt -123.68 -5.82 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.035 -1.041 . . . . 1.69 110.193 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 133.74 -166.28 23.98 Favored Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.452 -1.356 . . . . 1.29 110.265 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.425 ' NH1' ' HG3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.268 -1.136 . . . . 5.41 109.233 -179.988 . . . . . . . . 2 2 . 1 stop_ save_