data_2htj_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 2htj _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 ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.289 0.566 . . . . 3.8300000000000001 110.201 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 4.0 pttt -64.06 -32.36 73.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 2.8799999999999999 110.273 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.458 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 2.7 m120 -53.89 -38.15 64.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 3.0499999999999998 110.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.23 -34.47 76.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.245 -0.909 . . . . 1.8400000000000001 110.179 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 24' ' ' LEU . 11.5 mt -71.79 -45.07 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.328 -0.858 . . . . 1.49 110.446 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 2' ' ' LYS . 14.4 mt -68.68 -48.0 65.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.925 . . . . 1.3999999999999999 109.699 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 6.6 tt0 -59.96 -36.93 78.15 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.85 . . . . 2.0499999999999998 109.643 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.628 ' CZ ' ' CB ' ' A' ' 23' ' ' ALA . 1.2 t80 -63.98 -47.38 80.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.436 -0.79 . . . . 1.1699999999999999 109.842 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.525 ' CD2' ' HA ' ' A' ' 58' ' ' PHE . 4.6 mp -60.41 -26.83 66.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 1.78 110.053 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -63.65 -54.38 36.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 1.95 110.099 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -43.06 90.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.271 -0.893 . . . . 4.0499999999999998 110.055 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -108.42 -151.36 0.47 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 3.46 109.994 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.0 OUTLIER 170.72 108.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 3.5699999999999998 110.316 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.27 100.38 2.63 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.711 -1.356 . . . . 1.8600000000000001 109.711 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.58 ' N ' ' CE2' ' A' ' 56' ' ' TYR . . . -170.65 136.61 4.03 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.51 -1.436 . . . . 0.68000000000000005 109.51 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.607 ' CG ' ' CE1' ' A' ' 56' ' ' TYR . 8.3 mtmt -57.7 168.7 0.83 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.245 -1.15 . . . . 3.4900000000000002 109.882 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.541 ' CG2' ' N ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -64.07 -60.29 3.42 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.035 . . . . 1.75 109.364 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.541 ' N ' ' CG2' ' A' ' 17' ' ' THR . . . -58.87 -20.52 51.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.143 -0.973 . . . . 1.27 109.465 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.523 ' CG ' ' HB2' ' A' ' 16' ' ' LYS . 30.9 mm-40 -80.2 -39.69 28.66 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 107.837 -1.171 . . . . 1.6799999999999999 107.837 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 16' ' ' LYS . 26.9 mt -63.69 -38.03 81.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.859 -1.163 . . . . 1.22 107.859 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -61.74 -43.25 99.22 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.536 -0.728 . . . . 1.1399999999999999 109.511 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.55 -36.75 74.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.268 -0.895 . . . . 2.2200000000000002 109.722 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.628 ' CB ' ' CZ ' ' A' ' 8' ' ' PHE . . . -62.49 -42.5 99.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.357 -0.84 . . . . 1.1599999999999999 109.847 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.518 ' CD1' HG12 ' A' ' 5' ' ' ILE . 19.7 mt -91.99 -16.76 26.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 1.3100000000000001 110.141 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 53.74 22.36 3.13 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 1.23 110.158 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG11 ' O ' ' A' ' 24' ' ' LEU . 33.8 m -86.15 -137.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.303 -0.873 . . . . 1.8999999999999999 109.423 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -93.35 79.54 4.42 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.133 -0.979 . . . . 1.5600000000000001 109.315 179.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 27' ' ' THR . 4.2 p-10 -32.54 -45.24 0.11 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.169 0.509 . . . . 2.1800000000000002 110.782 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.55 -46.78 88.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.169 -0.957 . . . . 2.9300000000000002 109.461 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 27' ' ' THR . 18.5 mt-30 -74.02 -32.72 63.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.336 -0.853 . . . . 2.3500000000000001 109.695 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' TYR . . . -59.78 -52.28 66.16 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.477 0.656 . . . . 1.1499999999999999 109.271 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.459 ' NE ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -59.04 -47.6 84.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.7599999999999998 110.008 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CE2' HD11 ' A' ' 37' ' ' LEU . 35.0 t80 -57.46 -22.85 46.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.35 -0.844 . . . . 1.73 110.595 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 2' ' ' LYS . 3.1 m-85 -76.53 -53.66 7.78 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.547 -0.721 . . . . 1.6000000000000001 109.567 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 38' ' ' LEU . 8.0 mt -47.64 -40.98 21.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.929 . . . . 1.29 109.527 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.564 HD22 ' CZ3' ' A' ' 57' ' ' TRP . 42.9 mt -63.48 -57.65 9.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.362 -0.836 . . . . 1.1799999999999999 110.107 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -53.95 -46.74 71.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 1.6699999999999999 110.183 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 34' ' ' TYR . 2.1 mt -64.58 -41.51 96.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.923 . . . . 1.4099999999999999 110.102 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.508 ' N ' HG23 ' A' ' 44' ' ' VAL . 2.9 tt0 -55.34 -31.39 61.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 1.8100000000000001 110.013 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -66.3 -30.28 70.66 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 3.8900000000000001 110.074 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.66 -25.47 41.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 1.23 110.21 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.96 8.87 47.05 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.582 -1.407 . . . . 1.1100000000000001 109.582 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -86.83 -15.34 39.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.257 -1.143 . . . . 3.0499999999999998 110.207 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.508 HG23 ' N ' ' A' ' 39' ' ' GLU . 3.7 m -139.07 165.7 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.9 . . . . 1.26 110.059 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -134.07 165.34 25.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.201 -0.937 . . . . 2.0899999999999999 110.209 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.571 ' HB2' ' CE3' ' A' ' 57' ' ' TRP . 3.0 tmm_? -141.71 155.24 45.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 2.1699999999999999 110.178 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.525 ' O ' ' CG2' ' A' ' 55' ' ' THR . 0.6 OUTLIER -119.83 136.6 24.96 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.91 . . . . 2.0800000000000001 110.513 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 49' ' ' LEU . 52.6 Cg_endo -70.14 58.12 1.71 Allowed 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 124.214 1.639 . . . . 1.8500000000000001 109.995 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.577 HD12 ' CE1' ' A' ' 56' ' ' TYR . 9.8 tt -33.04 94.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.363 0.601 . . . . 4.5199999999999996 111.311 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -87.38 9.96 18.91 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.341 -0.849 . . . . 7.0 109.933 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.51 71.43 1.39 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 9.2200000000000006 110.138 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' HD21 ' A' ' 49' ' ' LEU . . . 165.04 -121.15 0.98 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.242 -1.543 . . . . 5.1100000000000003 109.242 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.462 ' HB3' ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER 179.84 51.94 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -1.213 . . . . 7.3799999999999999 110.752 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 55' ' ' THR . . . 179.78 24.96 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.948 -1.095 . . . . 2.5499999999999998 111.485 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 47' ' ' SER . 0.3 OUTLIER 41.93 -165.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.988 -1.07 . . . . 1.8 110.506 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -147.97 144.55 28.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.344 -0.847 . . . . 3.71 110.086 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.583 ' N ' ' CD1' ' A' ' 57' ' ' TRP . 8.0 m95 -135.5 133.32 38.35 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.15 -1.02 . . . . 0.55000000000000004 110.539 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.525 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 31.3 p90 -155.16 155.5 34.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -0.869 . . . . 1.1399999999999999 110.113 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.4 tp -42.08 162.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.885 . . . . 1.96 110.332 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 62' ' ' GLU . 4.1 tptm -65.4 66.66 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.285 -0.884 . . . . 3.2799999999999998 110.2 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 63.61 -74.78 0.04 OUTLIER Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.531 -1.428 . . . . 3.1699999999999999 109.531 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' LYS . 8.0 tt0 -177.02 -110.76 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.388 -1.066 . . . . 5.7400000000000002 109.965 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -155.92 176.88 12.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 8.8399999999999999 110.219 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 58.4 mm-40 55.48 17.73 2.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.221 -0.924 . . . . 9.5800000000000001 110.274 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.77 15.85 19.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 8.0999999999999996 110.15 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.37 -50.34 0.02 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.474 -1.45 . . . . 9.2599999999999998 109.474 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' O ' ' CG ' ' A' ' 67' ' ' GLN . 3.8 tm0? -99.05 27.38 5.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -1.143 . . . . 12.300000000000001 110.179 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' CYS . 0.3 OUTLIER -48.6 96.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 11.26 110.187 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 68' ' ' SER . 30.2 m 60.0 13.92 4.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.285 -0.885 . . . . 11.630000000000001 110.147 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' CYS . 0.2 OUTLIER 66.05 8.2 5.28 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.266 -0.896 . . . . 12.02 110.32 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 70' ' ' SER . 0.4 OUTLIER 42.82 48.38 4.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.194 -0.941 . . . . 11.449999999999999 110.206 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 70' ' ' SER . 18.5 p -104.41 21.8 16.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.928 . . . . 13.07 110.278 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.455 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -133.96 36.87 3.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 13.5 110.308 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 73' ' ' THR . 18.9 mt -129.69 15.38 5.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.19 -0.944 . . . . 13.630000000000001 110.273 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 76' ' ' HIS . 0.5 OUTLIER -127.48 25.22 6.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.25 -0.906 . . . . 14.460000000000001 110.28 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.477 ' O ' ' O ' ' A' ' 75' ' ' GLU . 38.9 m-70 56.91 117.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.393 -0.817 . . . . 16.41 110.442 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 77' ' ' HIS . 0.4 OUTLIER -59.65 92.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.262 -0.898 . . . . 16.829999999999998 110.289 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' A' ' 81' ' ' HIS . 13.2 t-80 57.07 105.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 17.829999999999998 110.283 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' HIS . 27.5 p80 -42.6 153.34 0.08 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -0.876 . . . . 16.620000000000001 110.157 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.58 ' O ' ' CG ' ' A' ' 81' ' ' HIS . 39.0 t-80 67.24 -58.86 0.41 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.224 -0.922 . . . . 18.59 110.313 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.58 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 20.5 p80 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.009 -0.996 . . . . 20.109999999999999 110.529 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.289 0.566 . . . . 3.42 110.201 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 4.0 pttt -64.06 -32.36 73.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 2.49 110.273 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 2.7 m120 -53.89 -38.15 64.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 2.38 110.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.23 -34.47 76.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.245 -0.909 . . . . 1.84 110.179 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.525 HG12 ' CD1' ' A' ' 24' ' ' LEU . 11.5 mt -71.79 -45.07 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.328 -0.858 . . . . 0.83 110.446 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 2' ' ' LYS . 14.4 mt -68.68 -48.0 65.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.925 . . . . 0.71 109.699 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 6.6 tt0 -59.96 -36.93 78.15 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.85 . . . . 2.05 109.643 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.686 ' CB ' HD21 ' A' ' 24' ' ' LEU . 1.2 t80 -63.98 -47.38 80.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.436 -0.79 . . . . 0.91 109.842 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.567 ' CD2' ' HA ' ' A' ' 58' ' ' PHE . 4.6 mp -60.41 -26.83 66.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 1.12 110.053 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -63.65 -54.38 36.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 1.7 110.099 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -43.06 90.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.271 -0.893 . . . . 3.41 110.055 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -108.42 -151.36 0.47 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 2.79 109.994 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.0 OUTLIER 170.72 108.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 3.02 110.316 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.27 100.38 2.63 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.711 -1.356 . . . . 1.43 109.711 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.58 ' N ' ' CE2' ' A' ' 56' ' ' TYR . . . -170.65 136.61 4.03 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.51 -1.436 . . . . 0.64 109.51 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.849 ' HD2' ' HB3' ' A' ' 54' ' ' ALA . 8.3 mtmt -57.7 168.7 0.83 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.245 -1.15 . . . . 3.03 109.882 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.707 HG22 ' N ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -64.07 -60.29 3.42 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.035 . . . . 1.23 109.364 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.707 ' N ' HG22 ' A' ' 17' ' ' THR . . . -58.87 -20.52 51.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.143 -0.973 . . . . 0.58 109.465 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' CG ' ' HB2' ' A' ' 16' ' ' LYS . 30.9 mm-40 -80.2 -39.69 28.66 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 107.837 -1.171 . . . . 1.68 107.837 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 17' ' ' THR . 26.9 mt -63.69 -38.03 81.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.859 -1.163 . . . . 0.51 107.859 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -61.74 -43.25 99.22 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.536 -0.728 . . . . 0.39 109.511 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.55 -36.75 74.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.268 -0.895 . . . . 2.22 109.722 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.628 ' CB ' ' CZ ' ' A' ' 8' ' ' PHE . . . -62.49 -42.5 99.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.357 -0.84 . . . . 0.42 109.847 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.686 HD21 ' CB ' ' A' ' 8' ' ' PHE . 19.7 mt -91.99 -16.76 26.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.61 110.141 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 53.74 22.36 3.13 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.63 110.158 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 27' ' ' THR . 33.8 m -86.15 -137.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.303 -0.873 . . . . 1.33 109.423 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -93.35 79.54 4.42 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.133 -0.979 . . . . 1.03 109.315 179.255 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 27' ' ' THR . 4.2 p-10 -32.54 -45.24 0.11 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.169 0.509 . . . . 2.18 110.782 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.55 -46.78 88.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.169 -0.957 . . . . 2.66 109.461 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 27' ' ' THR . 18.5 mt-30 -74.02 -32.72 63.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.336 -0.853 . . . . 2.09 109.695 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' HA ' HD11 ' A' ' 5' ' ' ILE . . . -59.78 -52.28 66.16 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.477 0.656 . . . . 0.35 109.271 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.736 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.04 -47.6 84.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.24 110.008 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.993 ' O ' HD12 ' A' ' 37' ' ' LEU . 35.0 t80 -57.46 -22.85 46.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.35 -0.844 . . . . 1.41 110.595 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.809 ' O ' HD12 ' A' ' 38' ' ' LEU . 3.1 m-85 -76.53 -53.66 7.78 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.547 -0.721 . . . . 1.04 109.567 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 32' ' ' ARG . 8.0 mt -47.64 -40.98 21.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.929 . . . . 0.61 109.527 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD11 ' NE ' ' A' ' 32' ' ' ARG . 42.9 mt -63.48 -57.65 9.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.362 -0.836 . . . . 0.47 110.107 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.993 HD12 ' O ' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -53.95 -46.74 71.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 1.0 110.183 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 34' ' ' TYR . 2.1 mt -64.58 -41.51 96.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.923 . . . . 0.83 110.102 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 44' ' ' VAL . 2.9 tt0 -55.34 -31.39 61.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 1.81 110.013 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -66.3 -30.28 70.66 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 3.42 110.074 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.66 -25.47 41.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 0.72 110.21 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.96 8.87 47.05 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.582 -1.407 . . . . 1.11 109.582 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -86.83 -15.34 39.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.257 -1.143 . . . . 2.43 110.207 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 39' ' ' GLU . 3.7 m -139.07 165.7 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.9 . . . . 0.58 110.059 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -134.07 165.34 25.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.201 -0.937 . . . . 1.94 110.209 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.577 ' HB2' ' CE3' ' A' ' 57' ' ' TRP . 3.0 tmm_? -141.71 155.24 45.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 1.77 110.178 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.867 ' O ' HG22 ' A' ' 55' ' ' THR . 0.6 OUTLIER -119.83 136.6 24.96 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.91 . . . . 1.67 110.513 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 49' ' ' LEU . 52.6 Cg_endo -70.14 58.12 1.71 Allowed 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 124.214 1.639 . . . . 1.55 109.995 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.85 HD12 ' CD1' ' A' ' 56' ' ' TYR . 9.8 tt -33.04 94.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.363 0.601 . . . . 4.12 111.311 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -87.38 9.96 18.91 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.341 -0.849 . . . . 6.49 109.933 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.51 71.43 1.39 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 8.57 110.138 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.731 ' CA ' HD21 ' A' ' 49' ' ' LEU . . . 165.04 -121.15 0.98 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.242 -1.543 . . . . 4.67 109.242 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.535 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.1 OUTLIER 179.84 51.94 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -1.213 . . . . 6.96 110.752 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.849 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . . . 179.78 24.96 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.948 -1.095 . . . . 2.16 111.485 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.867 HG22 ' O ' ' A' ' 47' ' ' SER . 0.3 OUTLIER 41.93 -165.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.988 -1.07 . . . . 1.33 110.506 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.85 ' CD1' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -147.97 144.55 28.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.344 -0.847 . . . . 3.46 110.086 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.586 ' HB3' HD22 ' A' ' 35' ' ' LEU . 8.0 m95 -135.5 133.32 38.35 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.15 -1.02 . . . . 0.47 110.539 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 31.3 p90 -155.16 155.5 34.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -0.869 . . . . 0.88 110.113 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.4 tp -42.08 162.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.885 . . . . 1.41 110.332 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 62' ' ' GLU . 4.1 tptm -65.4 66.66 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.285 -0.884 . . . . 2.84 110.2 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 63.61 -74.78 0.04 OUTLIER Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.531 -1.428 . . . . 3.17 109.531 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' LYS . 8.0 tt0 -177.02 -110.76 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.388 -1.066 . . . . 5.74 109.965 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -155.92 176.88 12.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 8.51 110.219 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 58.4 mm-40 55.48 17.73 2.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.221 -0.924 . . . . 9.04 110.274 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.77 15.85 19.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 7.96 110.15 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.37 -50.34 0.02 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.474 -1.45 . . . . 9.26 109.474 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 67' ' ' GLN . 3.8 tm0? -99.05 27.38 5.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -1.143 . . . . 11.82 110.179 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' CYS . 0.3 OUTLIER -48.6 96.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 10.97 110.187 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' SER . 30.2 m 60.0 13.92 4.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.285 -0.885 . . . . 11.57 110.147 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.458 ' HB3' HG23 ' A' ' 72' ' ' THR . 0.2 OUTLIER 66.05 8.2 5.28 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.266 -0.896 . . . . 11.83 110.32 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 70' ' ' SER . 0.4 OUTLIER 42.82 48.38 4.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.194 -0.941 . . . . 11.28 110.206 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 70' ' ' SER . 18.5 p -104.41 21.8 16.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.928 . . . . 12.64 110.278 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.406 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -133.96 36.87 3.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 13.31 110.308 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 73' ' ' THR . 18.9 mt -129.69 15.38 5.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.19 -0.944 . . . . 13.36 110.273 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 76' ' ' HIS . 0.5 OUTLIER -127.48 25.22 6.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.25 -0.906 . . . . 14.27 110.28 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.477 ' O ' ' O ' ' A' ' 75' ' ' GLU . 38.9 m-70 56.91 117.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.393 -0.817 . . . . 16.28 110.442 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -59.65 92.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.262 -0.898 . . . . 16.41 110.289 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 81' ' ' HIS . 13.2 t-80 57.07 105.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 17.45 110.283 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' HIS . 27.5 p80 -42.6 153.34 0.08 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -0.876 . . . . 16.62 110.157 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.58 ' O ' ' CG ' ' A' ' 81' ' ' HIS . 39.0 t-80 67.24 -58.86 0.41 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.224 -0.922 . . . . 18.3 110.313 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.58 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 20.5 p80 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.009 -0.996 . . . . 19.94 110.529 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.289 0.566 . . . . 3.42 110.201 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' HB3' ' CD2' ' A' ' 34' ' ' TYR . 4.0 pttt -64.06 -32.36 73.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 2.49 110.273 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 2.7 m120 -53.89 -38.15 64.5 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 2.38 110.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.23 -34.47 76.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.245 -0.909 . . . . 1.84 110.179 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.525 HG12 ' CD1' ' A' ' 24' ' ' LEU . 11.5 mt -71.79 -45.07 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.328 -0.858 . . . . 0.83 110.446 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 2' ' ' LYS . 14.4 mt -68.68 -48.0 65.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.925 . . . . 0.71 109.699 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 3' ' ' ASN . 6.6 tt0 -59.96 -36.93 78.15 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.85 . . . . 2.05 109.643 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.686 ' CB ' HD21 ' A' ' 24' ' ' LEU . 1.2 t80 -63.98 -47.38 80.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.436 -0.79 . . . . 0.91 109.842 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.567 ' CD2' ' HA ' ' A' ' 58' ' ' PHE . 4.6 mp -60.41 -26.83 66.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 1.12 110.053 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -63.65 -54.38 36.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.272 -0.893 . . . . 1.7 110.099 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -43.06 90.93 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.271 -0.893 . . . . 3.41 110.055 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -108.42 -151.36 0.47 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 2.79 109.994 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 12' ' ' HIS . 1.0 OUTLIER 170.72 108.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.225 -0.922 . . . . 3.02 110.316 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.27 100.38 2.63 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.711 -1.356 . . . . 1.43 109.711 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.58 ' N ' ' CE2' ' A' ' 56' ' ' TYR . . . -170.65 136.61 4.03 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.51 -1.436 . . . . 0.64 109.51 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.849 ' HD2' ' HB3' ' A' ' 54' ' ' ALA . 8.3 mtmt -57.7 168.7 0.83 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.245 -1.15 . . . . 3.03 109.882 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.707 HG22 ' N ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -64.07 -60.29 3.42 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.035 . . . . 1.23 109.364 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.707 ' N ' HG22 ' A' ' 17' ' ' THR . . . -58.87 -20.52 51.87 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.143 -0.973 . . . . 0.58 109.465 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' CG ' ' HB2' ' A' ' 16' ' ' LYS . 30.9 mm-40 -80.2 -39.69 28.66 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 107.837 -1.171 . . . . 1.68 107.837 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 17' ' ' THR . 26.9 mt -63.69 -38.03 81.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.859 -1.163 . . . . 0.51 107.859 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -61.74 -43.25 99.22 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.536 -0.728 . . . . 0.39 109.511 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.55 -36.75 74.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.268 -0.895 . . . . 2.22 109.722 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.628 ' CB ' ' CZ ' ' A' ' 8' ' ' PHE . . . -62.49 -42.5 99.54 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.357 -0.84 . . . . 0.42 109.847 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.686 HD21 ' CB ' ' A' ' 8' ' ' PHE . 19.7 mt -91.99 -16.76 26.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.61 110.141 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 53.74 22.36 3.13 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.63 110.158 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 27' ' ' THR . 33.8 m -86.15 -137.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.303 -0.873 . . . . 1.33 109.423 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 30' ' ' GLN . 0.7 OUTLIER -93.35 79.54 4.42 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.133 -0.979 . . . . 1.03 109.315 179.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 27' ' ' THR . 4.2 p-10 -32.54 -45.24 0.11 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.169 0.509 . . . . 2.18 110.782 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.55 -46.78 88.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.169 -0.957 . . . . 2.66 109.461 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 27' ' ' THR . 18.5 mt-30 -74.02 -32.72 63.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.336 -0.853 . . . . 2.09 109.695 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' HA ' HD11 ' A' ' 5' ' ' ILE . . . -59.78 -52.28 66.16 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-O 121.477 0.656 . . . . 0.35 109.271 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.736 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -59.04 -47.6 84.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.255 -0.903 . . . . 2.24 110.008 179.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.993 ' O ' HD12 ' A' ' 37' ' ' LEU . 35.0 t80 -57.46 -22.85 46.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.35 -0.844 . . . . 1.41 110.595 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.809 ' O ' HD12 ' A' ' 38' ' ' LEU . 3.1 m-85 -76.53 -53.66 7.78 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.547 -0.721 . . . . 1.04 109.567 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 32' ' ' ARG . 8.0 mt -47.64 -40.98 21.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.929 . . . . 0.61 109.527 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD11 ' NE ' ' A' ' 32' ' ' ARG . 42.9 mt -63.48 -57.65 9.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.362 -0.836 . . . . 0.47 110.107 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.993 HD12 ' O ' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -53.95 -46.74 71.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 1.0 110.183 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 34' ' ' TYR . 2.1 mt -64.58 -41.51 96.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.923 . . . . 0.83 110.102 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 44' ' ' VAL . 2.9 tt0 -55.34 -31.39 61.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.265 -0.897 . . . . 1.81 110.013 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -66.3 -30.28 70.66 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 3.42 110.074 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.66 -25.47 41.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.29 -0.881 . . . . 0.72 110.21 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.96 8.87 47.05 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.582 -1.407 . . . . 1.11 109.582 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -86.83 -15.34 39.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.257 -1.143 . . . . 2.43 110.207 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 39' ' ' GLU . 3.7 m -139.07 165.7 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.9 . . . . 0.58 110.059 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -134.07 165.34 25.29 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.201 -0.937 . . . . 1.94 110.209 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.577 ' HB2' ' CE3' ' A' ' 57' ' ' TRP . 3.0 tmm_? -141.71 155.24 45.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -0.92 . . . . 1.77 110.178 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.867 ' O ' HG22 ' A' ' 55' ' ' THR . 0.6 OUTLIER -119.83 136.6 24.96 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.91 . . . . 1.67 110.513 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 49' ' ' LEU . 52.6 Cg_endo -70.14 58.12 1.71 Allowed 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 124.214 1.639 . . . . 1.55 109.995 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.85 HD12 ' CD1' ' A' ' 56' ' ' TYR . 9.8 tt -33.04 94.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.363 0.601 . . . . 4.12 111.311 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -87.38 9.96 18.91 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.341 -0.849 . . . . 6.49 109.933 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.51 71.43 1.39 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.428 -0.795 . . . . 8.57 110.138 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.731 ' CA ' HD21 ' A' ' 49' ' ' LEU . . . 165.04 -121.15 0.98 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.242 -1.543 . . . . 4.67 109.242 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.535 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 0.1 OUTLIER 179.84 51.94 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.138 -1.213 . . . . 6.96 110.752 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.849 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . . . 179.78 24.96 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.948 -1.095 . . . . 2.16 111.485 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.867 HG22 ' O ' ' A' ' 47' ' ' SER . 0.3 OUTLIER 41.93 -165.46 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.988 -1.07 . . . . 1.33 110.506 179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.85 ' CD1' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -147.97 144.55 28.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.344 -0.847 . . . . 3.46 110.086 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.586 ' HB3' HD22 ' A' ' 35' ' ' LEU . 8.0 m95 -135.5 133.32 38.35 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.15 -1.02 . . . . 0.47 110.539 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 31.3 p90 -155.16 155.5 34.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -0.869 . . . . 0.88 110.113 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 61' ' ' GLY . 2.4 tp -42.08 162.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.285 -0.885 . . . . 1.41 110.332 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 62' ' ' GLU . 4.1 tptm -65.4 66.66 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.285 -0.884 . . . . 2.84 110.2 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 63.61 -74.78 0.04 OUTLIER Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.531 -1.428 . . . . 3.17 109.531 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' LYS . 8.0 tt0 -177.02 -110.76 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.388 -1.066 . . . . 5.74 109.965 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 64' ' ' GLN . 0.2 OUTLIER -155.92 176.88 12.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.161 -0.962 . . . . 8.51 110.219 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 58.4 mm-40 55.48 17.73 2.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.221 -0.924 . . . . 9.04 110.274 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.77 15.85 19.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.204 -0.935 . . . . 7.96 110.15 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.37 -50.34 0.02 OUTLIER Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.474 -1.45 . . . . 9.26 109.474 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 67' ' ' GLN . 3.8 tm0? -99.05 27.38 5.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -1.143 . . . . 11.82 110.179 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' CYS . 0.3 OUTLIER -48.6 96.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 10.97 110.187 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' SER . 30.2 m 60.0 13.92 4.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.285 -0.885 . . . . 11.57 110.147 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.458 ' HB3' HG23 ' A' ' 72' ' ' THR . 0.2 OUTLIER 66.05 8.2 5.28 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.266 -0.896 . . . . 11.83 110.32 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 70' ' ' SER . 0.4 OUTLIER 42.82 48.38 4.93 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.194 -0.941 . . . . 11.28 110.206 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 70' ' ' SER . 18.5 p -104.41 21.8 16.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.216 -0.928 . . . . 12.64 110.278 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.406 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -133.96 36.87 3.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 13.31 110.308 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 73' ' ' THR . 18.9 mt -129.69 15.38 5.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.19 -0.944 . . . . 13.36 110.273 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' A' ' 76' ' ' HIS . 0.5 OUTLIER -127.48 25.22 6.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.25 -0.906 . . . . 14.27 110.28 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.477 ' O ' ' O ' ' A' ' 75' ' ' GLU . 38.9 m-70 56.91 117.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.393 -0.817 . . . . 16.28 110.442 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.542 ' CD2' ' O ' ' A' ' 77' ' ' HIS . 0.4 OUTLIER -59.65 92.87 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.262 -0.898 . . . . 16.41 110.289 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 81' ' ' HIS . 13.2 t-80 57.07 105.01 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.227 -0.921 . . . . 17.45 110.283 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' HIS . 27.5 p80 -42.6 153.34 0.08 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -0.876 . . . . 16.62 110.157 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.58 ' O ' ' CG ' ' A' ' 81' ' ' HIS . 39.0 t-80 67.24 -58.86 0.41 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.224 -0.922 . . . . 18.3 110.313 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.58 ' CG ' ' O ' ' A' ' 80' ' ' HIS . 20.5 p80 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.009 -0.996 . . . . 19.94 110.529 -179.925 . . . . . . . . 1 1 . 1 stop_ save_