data_1j7r_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 1j7r _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.667 HD22 ' H ' ' A' ' 9' ' ' GLY . 1.4 tm? . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 122.0 0.905 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.667 ' H ' HD22 ' A' ' 8' ' ' LEU . . . 79.27 -132.08 11.16 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 119.07 -1.538 . . . . 0.0 110.075 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -80.21 -31.09 1.83 Allowed 'Trans proline' 0 C--N 1.326 -0.624 0 CA-C-N 117.397 0.599 . . . . 0.0 110.664 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -79.08 8.69 5.33 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.428 -0.909 . . . . 0.0 113.226 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 2.2 tp10 -53.72 -27.29 27.44 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 118.571 -1.252 . . . . 0.0 109.502 163.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -46.77 88.49 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.704 -0.623 . . . . 0.0 111.059 169.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.06 -44.45 94.7 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 118.45 -1.3 . . . . 0.0 110.986 175.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -60.36 -42.38 95.64 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.203 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 78' ' ' CYS . 24.6 m -74.57 -30.59 61.77 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.564 -1.255 . . . . 0.0 112.139 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.649 ' SD ' ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -76.88 -20.48 56.22 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.328 -1.482 . . . . 0.0 109.97 168.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HB2' ' HZ3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.19 -45.49 66.54 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.373 -0.829 . . . . 0.0 110.895 176.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.837 HD12 ' SD ' ' A' ' 39' ' ' MET . 1.7 tp -60.08 -42.3 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.863 168.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 24' ' ' ASP . 3.8 t80 -60.31 -5.94 1.32 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 119.595 -0.842 . . . . 0.0 111.709 173.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -101.69 -43.24 5.92 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.978 -1.076 . . . . 0.0 112.436 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.09 -49.15 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 118.797 -1.161 . . . . 0.0 110.142 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.478 ' CD2' HD13 ' A' ' 19' ' ' ILE . 2.3 m-85 -81.46 -22.0 38.4 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.817 -175.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' HB3' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -76.87 -6.28 51.79 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.51 165.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.475 ' HG2' ' C ' ' A' ' 24' ' ' ASP . 17.9 mmt180 87.69 -57.8 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.046 0.927 . . . . 0.0 111.871 169.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.406 HD21 ' N ' ' A' ' 27' ' ' ALA . 2.7 p-10 167.7 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 -169.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' N ' HD21 ' A' ' 26' ' ' ASN . . . -153.03 79.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.418 166.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' H ' HD21 ' A' ' 29' ' ' ASN . 0.0 OUTLIER -133.72 -44.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.037 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.488 HD21 ' H ' ' A' ' 28' ' ' GLU . 2.5 m-80 61.63 34.68 17.52 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.016 -0.673 . . . . 0.0 112.513 170.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 68' ' ' ASN . 4.5 pt -151.55 112.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 172.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.75 126.22 27.92 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 68' ' ' ASN . 10.4 Cg_endo -89.43 -170.82 0.47 Allowed 'Trans proline' 0 CA--C 1.535 0.569 0 CA-C-N 119.621 0.9 . . . . 0.0 111.111 -173.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -59.56 -46.14 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 119.218 -0.993 . . . . 0.0 112.366 176.042 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.0 p -53.64 -39.68 65.21 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.555 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.91 -36.5 81.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.135 173.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.433 ' HA ' ' HB2' ' A' ' 39' ' ' MET . 24.6 m -68.58 -22.66 64.45 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.157 -0.964 . . . . 0.0 112.445 174.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 mmt -74.45 -59.66 2.63 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.236 -0.915 . . . . 0.0 109.692 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.04 -31.6 13.38 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 122.018 0.914 . . . . 0.0 111.338 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.837 ' SD ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -66.99 -74.08 0.12 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.638 1.208 . . . . 0.0 113.867 177.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.84 0.06 4.84 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.016 -1.447 . . . . 0.0 110.444 -169.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 m -95.47 -49.46 5.41 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.655 162.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -91.97 -49.41 6.24 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.869 -1.144 . . . . 0.0 113.916 -173.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.712 HD22 ' SD ' ' A' ' 39' ' ' MET . 1.7 tp -47.33 -35.14 7.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.393 0.615 . . . . 0.0 111.734 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.2 -79.52 0.08 OUTLIER Glycine 0 N--CA 1.461 0.333 0 N-CA-C 109.009 -1.637 . . . . 0.0 109.009 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -178.03 -57.46 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.33 170.91 2.99 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 174.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.5 ' HB2' ' CG2' ' A' ' 52' ' ' THR . 1.7 m-85 -111.4 -103.3 0.39 Allowed 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.168 -1.582 . . . . 0.0 108.378 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.444 ' H ' ' HB3' ' A' ' 47' ' ' TYR . 27.5 m -83.31 -96.27 0.06 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 118.297 -1.361 . . . . 0.0 107.962 172.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -165.05 -68.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.132 -0.98 . . . . 0.0 109.659 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -90.02 -30.43 17.76 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.367 -0.933 . . . . 0.0 111.527 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.1 -38.37 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.261 -0.976 . . . . 0.0 110.534 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.508 HG22 ' CD1' ' A' ' 55' ' ' ILE . 1.3 m -72.23 -19.71 61.67 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 117.465 -1.694 . . . . 0.0 109.982 170.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.53 -37.66 78.95 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.647 -1.283 . . . . 0.0 108.71 165.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.58 -46.87 73.83 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.614 169.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.508 ' CD1' HG22 ' A' ' 52' ' ' THR . 10.9 mt -46.89 -59.93 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-O 123.666 1.698 . . . . 0.0 109.489 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.1 mtt -65.18 -29.16 69.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 112.384 -2.189 . . . . 0.0 112.648 -167.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -89.59 -24.56 21.66 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.623 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -86.03 -20.78 28.31 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.983 -1.073 . . . . 0.0 112.976 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.22 -55.74 11.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.936 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.477 ' HB2' ' CG1' ' A' ' 33' ' ' VAL . 6.9 tpt180 -50.11 -87.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 119.05 -1.06 . . . . 0.0 113.353 177.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.31 -164.16 31.85 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 116.741 -2.647 . . . . 0.0 112.514 -166.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -94.19 -43.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.332 -0.312 0 CA-C-N 117.155 0.477 . . . . 0.0 112.524 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -83.73 -44.26 14.63 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 118.538 -1.265 . . . . 0.0 109.833 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.87 15.57 80.85 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 118.868 -1.634 . . . . 0.0 114.667 176.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -72.72 -52.56 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.426 1.113 . . . . 0.0 110.289 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -144.34 55.54 1.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.06 103.12 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.993 0.901 . . . . 0.0 109.696 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.463 ' HB2' ' HB ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -118.91 154.15 33.43 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.495 HG13 ' HB2' ' A' ' 74' ' ' TRP . 10.5 pt -97.62 121.72 48.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 117.293 -1.763 . . . . 0.0 111.138 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 30' ' ' ILE . . . -93.76 -150.83 27.35 Favored Glycine 0 C--N 1.315 -0.629 0 CA-C-N 112.742 -2.026 . . . . 0.0 114.288 -174.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 1.1 Cg_endo -31.09 -55.27 0.24 Allowed 'Trans proline' 0 CA--C 1.53 0.285 0 N-CA-C 116.652 1.751 . . . . 0.0 116.652 -166.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.07 -36.16 7.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -164.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HA ' HG22 ' A' ' 76' ' ' THR . 4.3 tp10 -57.2 -39.3 75.12 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.342 1.428 . . . . 0.0 112.176 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.593 ' CZ2' HG12 ' A' ' 19' ' ' ILE . 25.4 t-105 -67.08 -38.45 85.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.219 -0.925 . . . . 0.0 112.156 -174.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.649 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 1.3 tt -81.86 -44.27 17.1 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 117.663 -1.615 . . . . 0.0 111.933 174.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.437 HG22 ' HA ' ' A' ' 73' ' ' GLU . 29.5 m -59.28 -42.33 91.0 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 117.973 -1.491 . . . . 0.0 110.772 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD21 HG12 ' A' ' 55' ' ' ILE . 6.5 tt -61.67 -40.77 96.13 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.301 174.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.562 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 17.7 m -65.1 -35.01 79.77 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 118.618 -1.233 . . . . 0.0 111.64 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.9 p -73.1 -36.17 66.72 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.891 -1.131 . . . . 0.0 111.187 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -63.83 -47.38 81.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.46 0.647 . . . . 0.0 111.582 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.461 ' CG ' ' CG1' ' A' ' 55' ' ' ILE . 0.7 OUTLIER -71.28 -31.43 67.46 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.29 -178.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.03 -67.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.216 -176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 84' ' ' GLN . 53.9 ttp85 -82.31 -52.6 6.77 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.096 -1.041 . . . . 0.0 110.997 -175.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 83' ' ' ARG . 1.1 tm0? . . . . . 0 C--N 1.416 3.483 1 N-CA-C 53.48 -21.304 . . . . 0.0 53.48 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.557 HD22 ' H ' ' A' ' 9' ' ' GLY . 1.4 tm? . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 122.0 0.905 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.557 ' H ' HD22 ' A' ' 8' ' ' LEU . . . 79.27 -132.08 11.16 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 119.07 -1.538 . . . . 0.0 110.075 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -80.21 -31.09 1.83 Allowed 'Trans proline' 0 C--N 1.326 -0.624 0 CA-C-N 117.397 0.599 . . . . 0.0 110.664 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -79.08 8.69 5.33 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.428 -0.909 . . . . 0.0 113.226 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.526 ' HG2' HG21 ' A' ' 82' ' ' VAL . 2.2 tp10 -53.72 -27.29 27.44 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 118.571 -1.252 . . . . 0.0 109.502 163.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -46.77 88.49 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.704 -0.623 . . . . 0.0 111.059 169.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.06 -44.45 94.7 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 118.45 -1.3 . . . . 0.0 110.986 175.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -60.36 -42.38 95.64 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.203 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 78' ' ' CYS . 24.6 m -74.57 -30.59 61.77 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.564 -1.255 . . . . 0.0 112.139 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.774 ' SD ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -76.88 -20.48 56.22 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.328 -1.482 . . . . 0.0 109.97 168.503 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -45.49 66.54 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.373 -0.829 . . . . 0.0 110.895 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.821 HD13 ' SD ' ' A' ' 39' ' ' MET . 1.7 tp -60.08 -42.3 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.863 168.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 71' ' ' PRO . 3.8 t80 -60.31 -5.94 1.32 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 119.595 -0.842 . . . . 0.0 111.709 173.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -101.69 -43.24 5.92 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.978 -1.076 . . . . 0.0 112.436 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.09 -49.15 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 118.797 -1.161 . . . . 0.0 110.142 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.492 ' CD1' HD12 ' A' ' 19' ' ' ILE . 2.3 m-85 -81.46 -22.0 38.4 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.817 -175.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' C ' ' HG2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -76.87 -6.28 51.79 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.51 165.561 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' HG2' ' C ' ' A' ' 24' ' ' ASP . 17.9 mmt180 87.69 -57.8 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.046 0.927 . . . . 0.0 111.871 169.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 167.7 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 -169.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.03 79.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.418 166.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.72 -44.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CA ' ' A' ' 70' ' ' GLY . 7.2 m120 61.63 34.68 17.52 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.016 -0.673 . . . . 0.0 112.513 170.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.464 ' HA ' ' HA2' ' A' ' 70' ' ' GLY . 4.5 pt -151.55 112.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 172.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.75 126.22 27.92 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -89.43 -170.82 0.47 Allowed 'Trans proline' 0 CA--C 1.535 0.569 0 CA-C-N 119.621 0.9 . . . . 0.0 111.111 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.663 HG13 ' HB2' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -59.56 -46.14 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 119.218 -0.993 . . . . 0.0 112.366 176.042 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.0 p -53.64 -39.68 65.21 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.555 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.91 -36.5 81.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.135 173.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 39' ' ' MET . 24.6 m -68.58 -22.66 64.45 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.157 -0.964 . . . . 0.0 112.445 174.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 mmt -74.45 -59.66 2.63 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.236 -0.915 . . . . 0.0 109.692 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.04 -31.6 13.38 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 122.018 0.914 . . . . 0.0 111.338 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 1.016 ' SD ' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.99 -74.08 0.12 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.638 1.208 . . . . 0.0 113.867 177.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD22 ' HE2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -68.84 0.06 4.84 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.016 -1.447 . . . . 0.0 110.444 -169.186 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 m -95.47 -49.46 5.41 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.655 162.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -91.97 -49.41 6.24 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.869 -1.144 . . . . 0.0 113.916 -173.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.016 HD22 ' SD ' ' A' ' 39' ' ' MET . 1.7 tp -47.33 -35.14 7.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.393 0.615 . . . . 0.0 111.734 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.2 -79.52 0.08 OUTLIER Glycine 0 N--CA 1.461 0.333 0 N-CA-C 109.009 -1.637 . . . . 0.0 109.009 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -178.03 -57.46 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.33 170.91 2.99 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 174.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.844 ' HB2' HG21 ' A' ' 52' ' ' THR . 1.7 m-85 -111.4 -103.3 0.39 Allowed 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.168 -1.582 . . . . 0.0 108.378 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 m -83.31 -96.27 0.06 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 118.297 -1.361 . . . . 0.0 107.962 172.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -165.05 -68.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.132 -0.98 . . . . 0.0 109.659 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -90.02 -30.43 17.76 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.367 -0.933 . . . . 0.0 111.527 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.5 mp0 -78.1 -38.37 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.261 -0.976 . . . . 0.0 110.534 -177.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.869 ' CG2' HD12 ' A' ' 55' ' ' ILE . 1.3 m -72.23 -19.71 61.67 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 117.465 -1.694 . . . . 0.0 109.982 170.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.53 -37.66 78.95 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.647 -1.283 . . . . 0.0 108.71 165.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 51' ' ' GLU . . . -54.58 -46.87 73.83 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.614 169.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.869 HD12 ' CG2' ' A' ' 52' ' ' THR . 10.9 mt -46.89 -59.93 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-O 123.666 1.698 . . . . 0.0 109.489 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.1 mtt -65.18 -29.16 69.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 112.384 -2.189 . . . . 0.0 112.648 -167.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -89.59 -24.56 21.66 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.623 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -86.03 -20.78 28.31 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.983 -1.073 . . . . 0.0 112.976 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.22 -55.74 11.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.936 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.663 ' HB2' HG13 ' A' ' 33' ' ' VAL . 6.9 tpt180 -50.11 -87.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 119.05 -1.06 . . . . 0.0 113.353 177.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.31 -164.16 31.85 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 116.741 -2.647 . . . . 0.0 112.514 -166.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -94.19 -43.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.332 -0.312 0 CA-C-N 117.155 0.477 . . . . 0.0 112.524 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -83.73 -44.26 14.63 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 118.538 -1.265 . . . . 0.0 109.833 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.524 ' HA2' ' HE ' ' A' ' 60' ' ' ARG . . . 74.87 15.57 80.85 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 118.868 -1.634 . . . . 0.0 114.667 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -72.72 -52.56 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.426 1.113 . . . . 0.0 110.289 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -144.34 55.54 1.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.06 103.12 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.993 0.901 . . . . 0.0 109.696 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.462 ' HB2' ' HB ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -118.91 154.15 33.43 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.477 HG13 ' HB2' ' A' ' 74' ' ' TRP . 10.5 pt -97.62 121.72 48.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 117.293 -1.763 . . . . 0.0 111.138 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 30' ' ' ILE . . . -93.76 -150.83 27.35 Favored Glycine 0 C--N 1.315 -0.629 0 CA-C-N 112.742 -2.026 . . . . 0.0 114.288 -174.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 1.1 Cg_endo -31.09 -55.27 0.24 Allowed 'Trans proline' 0 CA--C 1.53 0.285 0 N-CA-C 116.652 1.751 . . . . 0.0 116.652 -166.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' HG22 ' A' ' 76' ' ' THR . 0.2 OUTLIER -104.07 -36.16 7.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -164.371 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.49 ' HA ' HG22 ' A' ' 76' ' ' THR . 4.3 tp10 -57.2 -39.3 75.12 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.342 1.428 . . . . 0.0 112.176 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.601 ' CZ2' HG12 ' A' ' 19' ' ' ILE . 25.4 t-105 -67.08 -38.45 85.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.219 -0.925 . . . . 0.0 112.156 -174.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.774 HD13 ' SD ' ' A' ' 17' ' ' MET . 1.3 tt -81.86 -44.27 17.1 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 117.663 -1.615 . . . . 0.0 111.933 174.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 73' ' ' GLU . 29.5 m -59.28 -42.33 91.0 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 117.973 -1.491 . . . . 0.0 110.772 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.801 HD21 HG23 ' A' ' 55' ' ' ILE . 6.5 tt -61.67 -40.77 96.13 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.301 174.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.545 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 17.7 m -65.1 -35.01 79.77 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 118.618 -1.233 . . . . 0.0 111.64 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.9 p -73.1 -36.17 66.72 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.891 -1.131 . . . . 0.0 111.187 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -63.83 -47.38 81.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.46 0.647 . . . . 0.0 111.582 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.562 ' CG ' HD11 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -71.28 -31.43 67.46 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.29 -178.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.526 HG21 ' HG2' ' A' ' 12' ' ' GLU . 69.1 t -86.03 -67.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.216 -176.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 84' ' ' GLN . 53.9 ttp85 -82.31 -52.6 6.77 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.096 -1.041 . . . . 0.0 110.997 -175.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 83' ' ' ARG . 1.1 tm0? . . . . . 0 C--N 1.416 3.483 1 N-CA-C 53.48 -21.304 . . . . 0.0 53.48 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.557 HD22 ' H ' ' A' ' 9' ' ' GLY . 1.4 tm? . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 122.0 0.905 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.557 ' H ' HD22 ' A' ' 8' ' ' LEU . . . 79.27 -132.08 11.16 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 119.07 -1.538 . . . . 0.0 110.075 -177.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -80.21 -31.09 1.83 Allowed 'Trans proline' 0 C--N 1.326 -0.624 0 CA-C-N 117.397 0.599 . . . . 0.0 110.664 173.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -79.08 8.69 5.33 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.428 -0.909 . . . . 0.0 113.226 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.526 ' HG2' HG21 ' A' ' 82' ' ' VAL . 2.2 tp10 -53.72 -27.29 27.44 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 118.571 -1.252 . . . . 0.0 109.502 163.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -46.77 88.49 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.704 -0.623 . . . . 0.0 111.059 169.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.06 -44.45 94.7 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 118.45 -1.3 . . . . 0.0 110.986 175.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -60.36 -42.38 95.64 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.203 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 78' ' ' CYS . 24.6 m -74.57 -30.59 61.77 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.564 -1.255 . . . . 0.0 112.139 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.774 ' SD ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -76.88 -20.48 56.22 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.328 -1.482 . . . . 0.0 109.97 168.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -45.49 66.54 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.373 -0.829 . . . . 0.0 110.895 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.821 HD13 ' SD ' ' A' ' 39' ' ' MET . 1.7 tp -60.08 -42.3 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.863 168.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 71' ' ' PRO . 3.8 t80 -60.31 -5.94 1.32 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 119.595 -0.842 . . . . 0.0 111.709 173.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -101.69 -43.24 5.92 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 120.978 -1.076 . . . . 0.0 112.436 169.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.7 mt -72.09 -49.15 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 118.797 -1.161 . . . . 0.0 110.142 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.492 ' CD1' HD12 ' A' ' 19' ' ' ILE . 2.3 m-85 -81.46 -22.0 38.4 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.817 -175.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' C ' ' HG2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -76.87 -6.28 51.79 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.51 165.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' HG2' ' C ' ' A' ' 24' ' ' ASP . 17.9 mmt180 87.69 -57.8 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 122.046 0.927 . . . . 0.0 111.871 169.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 167.7 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 -169.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.03 79.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.418 166.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.72 -44.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' CA ' ' A' ' 70' ' ' GLY . 2.5 m-80 61.63 34.68 17.52 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.016 -0.673 . . . . 0.0 112.513 170.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.464 ' HA ' ' HA2' ' A' ' 70' ' ' GLY . 4.5 pt -151.55 112.8 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 172.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.75 126.22 27.92 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -89.43 -170.82 0.47 Allowed 'Trans proline' 0 CA--C 1.535 0.569 0 CA-C-N 119.621 0.9 . . . . 0.0 111.111 -173.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.663 HG13 ' HB2' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -59.56 -46.14 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 119.218 -0.993 . . . . 0.0 112.366 176.042 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.0 p -53.64 -39.68 65.21 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 119.208 -0.997 . . . . 0.0 111.555 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.91 -36.5 81.5 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.135 173.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 39' ' ' MET . 24.6 m -68.58 -22.66 64.45 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.157 -0.964 . . . . 0.0 112.445 174.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.3 mmt -74.45 -59.66 2.63 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.236 -0.915 . . . . 0.0 109.692 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.04 -31.6 13.38 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 122.018 0.914 . . . . 0.0 111.338 173.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 1.016 ' SD ' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.99 -74.08 0.12 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.638 1.208 . . . . 0.0 113.867 177.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD22 ' HE2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -68.84 0.06 4.84 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.016 -1.447 . . . . 0.0 110.444 -169.186 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.7 m -95.47 -49.46 5.41 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.655 162.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -91.97 -49.41 6.24 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.869 -1.144 . . . . 0.0 113.916 -173.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.016 HD22 ' SD ' ' A' ' 39' ' ' MET . 1.7 tp -47.33 -35.14 7.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.393 0.615 . . . . 0.0 111.734 -175.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.2 -79.52 0.08 OUTLIER Glycine 0 N--CA 1.461 0.333 0 N-CA-C 109.009 -1.637 . . . . 0.0 109.009 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -178.03 -57.46 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.33 170.91 2.99 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 174.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.844 ' HB2' HG21 ' A' ' 52' ' ' THR . 1.7 m-85 -111.4 -103.3 0.39 Allowed 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.168 -1.582 . . . . 0.0 108.378 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 m -83.31 -96.27 0.06 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 118.297 -1.361 . . . . 0.0 107.962 172.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -165.05 -68.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.132 -0.98 . . . . 0.0 109.659 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -90.02 -30.43 17.76 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.367 -0.933 . . . . 0.0 111.527 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.757 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.5 mp0 -78.1 -38.37 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.261 -0.976 . . . . 0.0 110.534 -177.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.869 ' CG2' HD12 ' A' ' 55' ' ' ILE . 1.3 m -72.23 -19.71 61.67 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 117.465 -1.694 . . . . 0.0 109.982 170.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.53 -37.66 78.95 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 120.647 -1.283 . . . . 0.0 108.71 165.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 51' ' ' GLU . . . -54.58 -46.87 73.83 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.614 169.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.869 HD12 ' CG2' ' A' ' 52' ' ' THR . 10.9 mt -46.89 -59.93 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-O 123.666 1.698 . . . . 0.0 109.489 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.1 mtt -65.18 -29.16 69.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 112.384 -2.189 . . . . 0.0 112.648 -167.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -89.59 -24.56 21.66 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.251 -0.98 . . . . 0.0 112.623 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -86.03 -20.78 28.31 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.983 -1.073 . . . . 0.0 112.976 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.22 -55.74 11.57 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.936 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.663 ' HB2' HG13 ' A' ' 33' ' ' VAL . 6.9 tpt180 -50.11 -87.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 119.05 -1.06 . . . . 0.0 113.353 177.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.31 -164.16 31.85 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 116.741 -2.647 . . . . 0.0 112.514 -166.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -94.19 -43.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.332 -0.312 0 CA-C-N 117.155 0.477 . . . . 0.0 112.524 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -83.73 -44.26 14.63 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 118.538 -1.265 . . . . 0.0 109.833 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.524 ' HA2' ' HE ' ' A' ' 60' ' ' ARG . . . 74.87 15.57 80.85 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 118.868 -1.634 . . . . 0.0 114.667 176.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -72.72 -52.56 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 118.426 1.113 . . . . 0.0 110.289 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -144.34 55.54 1.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.06 103.12 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.993 0.901 . . . . 0.0 109.696 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.462 ' HB2' ' HB ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -118.91 154.15 33.43 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.477 HG13 ' HB2' ' A' ' 74' ' ' TRP . 10.5 pt -97.62 121.72 48.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 117.293 -1.763 . . . . 0.0 111.138 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 30' ' ' ILE . . . -93.76 -150.83 27.35 Favored Glycine 0 C--N 1.315 -0.629 0 CA-C-N 112.742 -2.026 . . . . 0.0 114.288 -174.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 20' ' ' PHE . 1.1 Cg_endo -31.09 -55.27 0.24 Allowed 'Trans proline' 0 CA--C 1.53 0.285 0 N-CA-C 116.652 1.751 . . . . 0.0 116.652 -166.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' O ' HG22 ' A' ' 76' ' ' THR . 0.2 OUTLIER -104.07 -36.16 7.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -164.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.49 ' HA ' HG22 ' A' ' 76' ' ' THR . 4.3 tp10 -57.2 -39.3 75.12 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.342 1.428 . . . . 0.0 112.176 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.601 ' CZ2' HG12 ' A' ' 19' ' ' ILE . 25.4 t-105 -67.08 -38.45 85.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.219 -0.925 . . . . 0.0 112.156 -174.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.774 HD13 ' SD ' ' A' ' 17' ' ' MET . 1.3 tt -81.86 -44.27 17.1 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 117.663 -1.615 . . . . 0.0 111.933 174.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 73' ' ' GLU . 29.5 m -59.28 -42.33 91.0 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 117.973 -1.491 . . . . 0.0 110.772 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.801 HD21 HG23 ' A' ' 55' ' ' ILE . 6.5 tt -61.67 -40.77 96.13 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.301 174.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.545 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 17.7 m -65.1 -35.01 79.77 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 118.618 -1.233 . . . . 0.0 111.64 176.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.9 p -73.1 -36.17 66.72 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 120.891 -1.131 . . . . 0.0 111.187 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -63.83 -47.38 81.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.46 0.647 . . . . 0.0 111.582 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.562 ' CG ' HD11 ' A' ' 55' ' ' ILE . 0.7 OUTLIER -71.28 -31.43 67.46 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.29 -178.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.526 HG21 ' HG2' ' A' ' 12' ' ' GLU . 69.1 t -86.03 -67.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.216 -176.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 84' ' ' GLN . 53.9 ttp85 -82.31 -52.6 6.77 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.096 -1.041 . . . . 0.0 110.997 -175.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 83' ' ' ARG . 1.1 tm0? . . . . . 0 C--N 1.416 3.483 1 N-CA-C 53.48 -21.304 . . . . 0.0 53.48 177.71 . . . . . . . . 2 2 . 1 stop_ save_