data_2alc_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 2alc _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.516 -1.434 . . . . 9.2 109.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.2 t -159.83 -71.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.391 . . . . 0.0 109.993 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt -66.9 -42.86 84.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.99 0.424 . . . . 0.0 110.085 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.16 -47.44 43.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.22 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -160.26 149.01 17.04 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.76 -0.459 . . . . 7.45 109.76 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 p -123.81 -65.07 1.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.544 ' HD3' ' HB2' ' A' ' 58' ' ' ARG . 76.0 mtm180 -88.42 147.93 24.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.824 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.38 68.64 1.49 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.177 -0.465 . . . . 9.01 109.931 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -84.87 127.58 34.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.749 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -135.32 -63.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.172 0.51 . . . . 2.57 109.925 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.58 ' O ' ' CH2' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -72.61 131.07 41.97 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.679 -0.86 . . . . 1.52 108.679 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 39.4 m80 -98.13 -14.82 20.22 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.062 0.458 . . . . 0.54 110.378 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.552 ' HA ' ' SG ' ' A' ' 22' ' ' CYS . 0.4 OUTLIER -49.82 139.66 12.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.781 -0.645 . . . . 1.08 111.259 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.547 ' SG ' ' HD2' ' A' ' 14' ' ' PRO . 13.9 p -58.42 165.0 2.27 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.131 -0.94 . . . . 0.16 111.531 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -36.36 -60.77 0.68 Allowed Pre-proline 0 N--CA 1.471 0.617 0 N-CA-C 114.886 1.439 . . . . 0.55 114.886 -178.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.547 ' HD2' ' SG ' ' A' ' 12' ' ' CYS . 38.9 Cg_endo -60.34 -36.44 87.33 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.693 2.262 . . . . 0.21 114.737 -175.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . 73.3 m -80.14 -48.35 13.33 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.079 -0.648 . . . . 0.19 111.262 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 13' ' ' ASP . 7.8 ptm180 -51.89 -39.93 59.84 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.111 -0.635 . . . . 2.63 109.944 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.77 -44.16 82.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 3.21 110.149 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.48 15.67 53.26 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 111.764 -0.534 . . . . 0.34 111.764 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 59.17 45.07 14.91 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 117.057 0.428 . . . . 2.57 111.795 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.667 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 56.3 mtt85 -117.53 135.24 54.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.988 -0.745 . . . . 3.75 108.988 177.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.29 124.49 47.97 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.07 -1.085 . . . . 2.7 108.07 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.757 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -116.78 -178.6 3.47 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 119.44 -0.904 . . . . 0.22 112.61 -178.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.51 -38.77 84.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.158 -1.383 . . . . 0.59 109.329 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' HB3' ' CZ2' ' A' ' 36' ' ' TRP . . . -37.46 104.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.242 -0.89 . . . . 1.02 111.047 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.65 -164.06 0.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.213 2.609 . . . . 0.46 111.307 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 28.2 tt0 -74.86 -21.64 59.13 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.192 -1.41 . . . . 1.93 107.192 177.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -106.65 50.55 0.77 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 114.343 -1.299 . . . . 2.23 110.43 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.715 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -61.37 -30.62 70.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.893 -0.41 . . . . 2.28 109.893 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.465 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 18.1 t-20 -72.25 -46.85 54.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.964 -1.124 . . . . 2.64 107.964 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -65.15 -19.61 66.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.062 -0.972 . . . . 2.03 109.247 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' HB2' ' CB ' ' A' ' 36' ' ' TRP . . . -74.31 -38.88 63.19 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.33 -0.989 . . . . 1.1 108.33 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.593 ' HA ' ' O ' ' A' ' 36' ' ' TRP . 4.7 m-80 -59.2 -41.29 88.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.772 -0.649 . . . . 2.03 109.676 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.23 -38.99 92.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.7 -0.682 . . . . 2.26 110.368 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.16 -34.37 70.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.203 -0.453 . . . . 0.79 111.627 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.09 -28.02 0.57 Allowed Glycine 0 CA--C 1.532 1.119 0 N-CA-C 110.721 -0.951 . . . . 0.97 110.721 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.593 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 50.5 t90 -60.67 -179.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.73 -0.841 . . . . 0.7 108.73 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 ' HA ' ' OD1' ' A' ' 32' ' ' ASN . 2.2 p -166.17 -44.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.144 0.497 . . . . 1.58 109.928 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 p -159.52 146.19 16.54 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.318 -0.993 . . . . 1.23 108.318 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.757 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 17.2 p -62.94 157.61 21.29 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.312 -0.858 . . . . 0.22 110.225 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 p -52.86 -31.76 41.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.723 -0.671 . . . . 1.25 111.442 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.558 ' ND2' ' SG ' ' A' ' 15' ' ' CYS . 69.2 m-20 -63.3 -57.6 9.88 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.405 -0.518 . . . . 0.22 109.855 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' ASN . 48.5 m -55.64 -47.48 76.56 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.324 -0.398 . . . . 0.23 110.448 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -66.55 -25.05 66.47 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.1 -0.64 . . . . 2.12 111.329 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.664 ' HG2' ' CD1' ' A' ' 45' ' ' TRP . 29.3 ttm180 -80.65 -52.89 7.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.234 0.54 . . . . 2.98 111.424 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CD1' ' HG2' ' A' ' 44' ' ' ARG . 12.4 m95 -91.96 -7.47 48.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.943 -0.572 . . . . 0.66 110.829 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m-80 60.79 67.71 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.692 -1.225 . . . . 0.87 107.692 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 45' ' ' TRP . 42.1 mtpt -104.66 -119.89 0.21 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.267 -0.879 . . . . 1.35 111.125 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -155.07 94.71 1.66 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.04 0.448 . . . . 1.35 110.609 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -71.99 105.27 3.82 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.191 -0.459 . . . . 0.25 110.144 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 t -147.3 156.07 42.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.143 0.497 . . . . 1.06 110.527 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.715 ' CE2' ' HB3' ' A' ' 28' ' ' ARG . 4.2 m-30 -109.39 49.59 0.82 Allowed 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 122.182 0.991 . . . . 0.31 108.428 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -69.34 -31.12 69.35 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.51 -1.223 . . . . 0.56 108.96 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.758 ' CZ2' HD23 ' A' ' 54' ' ' LEU . 22.7 p-90 -59.56 -40.72 88.22 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 106.972 -1.492 . . . . 0.38 106.972 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.758 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 71.5 mt -66.71 -32.78 74.3 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.364 -1.289 . . . . 1.11 110.69 177.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 49.9 m -75.9 -20.14 58.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.634 -0.712 . . . . 1.74 111.788 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -97.12 7.58 46.32 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.935 -0.478 . . . . 1.88 111.231 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.562 ' NE2' HD21 ' A' ' 54' ' ' LEU . 30.1 mt-30 -82.22 -127.03 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 120.669 -0.412 . . . . 1.29 110.937 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 70.7 ttt180 -54.68 -29.96 54.26 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 121.013 -0.275 . . . . 6.22 110.781 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -169.89 174.26 5.71 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.589 -0.523 . . . . 4.03 109.589 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 55' ' ' SER . 69.4 mmtt -70.65 76.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.992 0.425 . . . . 6.94 110.098 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -48.02 -45.78 32.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.403 -0.817 . . . . 11.23 110.272 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.1 m -111.54 91.82 3.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.689 -0.485 . . . . 10.86 109.689 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 60' ' ' LYS . 4.1 p . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.179 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.516 -1.434 . . . . 7.38 109.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.2 t -159.83 -71.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.391 . . . . 0.0 109.993 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt -66.9 -42.86 84.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.99 0.424 . . . . 0.0 110.085 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.16 -47.44 43.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.22 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -160.26 149.01 17.04 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.76 -0.459 . . . . 7.3 109.76 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 p -123.81 -65.07 1.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.566 ' HD3' ' HB2' ' A' ' 58' ' ' ARG . 76.0 mtm180 -88.42 147.93 24.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.824 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.38 68.64 1.49 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.177 -0.465 . . . . 8.42 109.931 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -84.87 127.58 34.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.749 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -135.32 -63.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.172 0.51 . . . . 2.22 109.925 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.58 ' O ' ' CH2' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -72.61 131.07 41.97 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.679 -0.86 . . . . 1.52 108.679 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 39.4 m80 -98.13 -14.82 20.22 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.062 0.458 . . . . 0.46 110.378 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.544 ' HA ' ' SG ' ' A' ' 22' ' ' CYS . 0.4 OUTLIER -49.82 139.66 12.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.781 -0.645 . . . . 0.75 111.259 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.553 ' SG ' ' HG2' ' A' ' 14' ' ' PRO . 13.9 p -58.42 165.0 2.27 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.131 -0.94 . . . . 0.16 111.531 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.571 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -36.36 -60.77 0.68 Allowed Pre-proline 0 N--CA 1.471 0.617 0 N-CA-C 114.886 1.439 . . . . 0.55 114.886 -178.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.553 ' HG2' ' SG ' ' A' ' 12' ' ' CYS . 38.9 Cg_endo -60.34 -36.44 87.33 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.693 2.262 . . . . 0.21 114.737 -175.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . 73.3 m -80.14 -48.35 13.33 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.079 -0.648 . . . . 0.19 111.262 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 13' ' ' ASP . 7.8 ptm180 -51.89 -39.93 59.84 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.111 -0.635 . . . . 1.92 109.944 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.77 -44.16 82.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 2.76 110.149 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.48 15.67 53.26 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 111.764 -0.534 . . . . 0.34 111.764 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 59.17 45.07 14.91 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 117.057 0.428 . . . . 1.97 111.795 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.674 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 56.3 mtt85 -117.53 135.24 54.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.988 -0.745 . . . . 2.95 108.988 177.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.29 124.49 47.97 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.07 -1.085 . . . . 2.08 108.07 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.829 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -116.78 -178.6 3.47 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 119.44 -0.904 . . . . 0.18 112.61 -178.498 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.51 -38.77 84.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.158 -1.383 . . . . 0.59 109.329 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . . . -37.46 104.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.242 -0.89 . . . . 0.24 111.047 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.65 -164.06 0.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.213 2.609 . . . . 0.39 111.307 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 28.2 tt0 -74.86 -21.64 59.13 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.192 -1.41 . . . . 1.92 107.192 177.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.411 ' HB3' ' CB ' ' A' ' 30' ' ' GLU . 7.0 m120 -106.65 50.55 0.77 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 114.343 -1.299 . . . . 2.07 110.43 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.729 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -61.37 -30.62 70.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.893 -0.41 . . . . 1.64 109.893 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.481 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 18.1 t-20 -72.25 -46.85 54.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.964 -1.124 . . . . 2.03 107.964 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 27' ' ' ASN . 1.5 tm-20 -65.15 -19.61 66.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.062 -0.972 . . . . 2.03 109.247 177.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' HB1' ' CB ' ' A' ' 36' ' ' TRP . . . -74.31 -38.88 63.19 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.33 -0.989 . . . . 0.31 108.33 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.609 ' HA ' ' O ' ' A' ' 36' ' ' TRP . 4.7 m-80 -59.2 -41.29 88.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.772 -0.649 . . . . 1.5 109.676 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.23 -38.99 92.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.7 -0.682 . . . . 2.26 110.368 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.16 -34.37 70.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.203 -0.453 . . . . 0.79 111.627 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.09 -28.02 0.57 Allowed Glycine 0 CA--C 1.532 1.119 0 N-CA-C 110.721 -0.951 . . . . 0.97 110.721 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.609 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 50.5 t90 -60.67 -179.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.73 -0.841 . . . . 0.37 108.73 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' HA ' ' OD1' ' A' ' 32' ' ' ASN . 2.2 p -166.17 -44.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.144 0.497 . . . . 1.58 109.928 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 p -159.52 146.19 16.54 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.318 -0.993 . . . . 1.06 108.318 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.829 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 17.2 p -62.94 157.61 21.29 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.312 -0.858 . . . . 0.2 110.225 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 p -52.86 -31.76 41.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.723 -0.671 . . . . 0.99 111.442 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.464 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 23.3 m120 -63.3 -57.6 9.88 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.405 -0.518 . . . . 0.22 109.855 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' ASN . 48.5 m -55.64 -47.48 76.56 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.324 -0.398 . . . . 0.21 110.448 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -66.55 -25.05 66.47 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.1 -0.64 . . . . 1.63 111.329 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.653 ' HG2' ' CD1' ' A' ' 45' ' ' TRP . 29.3 ttm180 -80.65 -52.89 7.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.234 0.54 . . . . 2.25 111.424 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.653 ' CD1' ' HG2' ' A' ' 44' ' ' ARG . 12.4 m95 -91.96 -7.47 48.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.943 -0.572 . . . . 0.59 110.829 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m-80 60.79 67.71 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.692 -1.225 . . . . 0.63 107.692 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.552 ' CG ' ' HB2' ' A' ' 45' ' ' TRP . 42.1 mtpt -104.66 -119.89 0.21 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.267 -0.879 . . . . 0.74 111.125 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -155.07 94.71 1.66 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.04 0.448 . . . . 1.35 110.609 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -71.99 105.27 3.82 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.191 -0.459 . . . . 0.25 110.144 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 t -147.3 156.07 42.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.143 0.497 . . . . 0.35 110.527 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.801 ' CG ' HD12 ' A' ' 54' ' ' LEU . 4.2 m-30 -109.39 49.59 0.82 Allowed 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 122.182 0.991 . . . . 0.31 108.428 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -69.34 -31.12 69.35 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.51 -1.223 . . . . 0.54 108.96 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.907 ' CZ2' HD21 ' A' ' 54' ' ' LEU . 22.7 p-90 -59.56 -40.72 88.22 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 106.972 -1.492 . . . . 0.38 106.972 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.907 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 71.5 mt -66.71 -32.78 74.3 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.364 -1.289 . . . . 0.45 110.69 177.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.561 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 49.9 m -75.9 -20.14 58.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.634 -0.712 . . . . 1.23 111.788 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -97.12 7.58 46.32 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.935 -0.478 . . . . 1.39 111.231 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.657 ' NE2' HD23 ' A' ' 54' ' ' LEU . 30.1 mt-30 -82.22 -127.03 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 120.669 -0.412 . . . . 1.29 110.937 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 70.7 ttt180 -54.68 -29.96 54.26 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 121.013 -0.275 . . . . 5.55 110.781 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -169.89 174.26 5.71 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.589 -0.523 . . . . 3.8 109.589 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.561 ' HA ' ' O ' ' A' ' 55' ' ' SER . 69.4 mmtt -70.65 76.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.992 0.425 . . . . 6.56 110.098 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.43 ' H ' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -48.02 -45.78 32.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.403 -0.817 . . . . 11.23 110.272 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.1 m -111.54 91.82 3.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.689 -0.485 . . . . 10.72 109.689 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' A' ' 60' ' ' LYS . 4.1 p . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.179 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.516 -1.434 . . . . 7.38 109.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.2 t -159.83 -71.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.391 . . . . 0.0 109.993 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt -66.9 -42.86 84.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.99 0.424 . . . . 0.0 110.085 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.16 -47.44 43.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.22 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -160.26 149.01 17.04 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.76 -0.459 . . . . 7.3 109.76 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 p -123.81 -65.07 1.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.566 ' HD3' ' HB2' ' A' ' 58' ' ' ARG . 76.0 mtm180 -88.42 147.93 24.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.824 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -132.38 68.64 1.49 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.177 -0.465 . . . . 8.42 109.931 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -84.87 127.58 34.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.749 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -135.32 -63.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.172 0.51 . . . . 2.22 109.925 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.58 ' O ' ' CH2' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -72.61 131.07 41.97 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.679 -0.86 . . . . 1.52 108.679 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 39.4 m80 -98.13 -14.82 20.22 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.062 0.458 . . . . 0.46 110.378 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.544 ' HA ' ' SG ' ' A' ' 22' ' ' CYS . 0.4 OUTLIER -49.82 139.66 12.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.781 -0.645 . . . . 0.75 111.259 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.553 ' SG ' ' HG2' ' A' ' 14' ' ' PRO . 13.9 p -58.42 165.0 2.27 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.131 -0.94 . . . . 0.16 111.531 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.571 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -36.36 -60.77 0.68 Allowed Pre-proline 0 N--CA 1.471 0.617 0 N-CA-C 114.886 1.439 . . . . 0.55 114.886 -178.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.553 ' HG2' ' SG ' ' A' ' 12' ' ' CYS . 38.9 Cg_endo -60.34 -36.44 87.33 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.693 2.262 . . . . 0.21 114.737 -175.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . 73.3 m -80.14 -48.35 13.33 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.079 -0.648 . . . . 0.19 111.262 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 13' ' ' ASP . 7.8 ptm180 -51.89 -39.93 59.84 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.111 -0.635 . . . . 1.92 109.944 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.77 -44.16 82.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 2.76 110.149 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.48 15.67 53.26 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 111.764 -0.534 . . . . 0.34 111.764 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 59.17 45.07 14.91 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 117.057 0.428 . . . . 1.97 111.795 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.674 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 56.3 mtt85 -117.53 135.24 54.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.988 -0.745 . . . . 2.95 108.988 177.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.29 124.49 47.97 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.07 -1.085 . . . . 2.08 108.07 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.829 ' HB2' ' HB2' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -116.78 -178.6 3.47 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 119.44 -0.904 . . . . 0.18 112.61 -178.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.51 -38.77 84.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.158 -1.383 . . . . 0.59 109.329 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . . . -37.46 104.47 0.28 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.242 -0.89 . . . . 0.24 111.047 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.65 -164.06 0.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.213 2.609 . . . . 0.39 111.307 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 28.2 tt0 -74.86 -21.64 59.13 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.192 -1.41 . . . . 1.92 107.192 177.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.411 ' HB3' ' CB ' ' A' ' 30' ' ' GLU . 7.0 m120 -106.65 50.55 0.77 Allowed 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 114.343 -1.299 . . . . 2.07 110.43 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.729 ' HB3' ' CE2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -61.37 -30.62 70.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.893 -0.41 . . . . 1.64 109.893 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.481 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 18.1 t-20 -72.25 -46.85 54.22 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.964 -1.124 . . . . 2.03 107.964 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 27' ' ' ASN . 1.5 tm-20 -65.15 -19.61 66.06 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.062 -0.972 . . . . 2.03 109.247 177.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.518 ' HB1' ' CB ' ' A' ' 36' ' ' TRP . . . -74.31 -38.88 63.19 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.33 -0.989 . . . . 0.31 108.33 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.609 ' HA ' ' O ' ' A' ' 36' ' ' TRP . 4.7 m-80 -59.2 -41.29 88.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.772 -0.649 . . . . 1.5 109.676 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.23 -38.99 92.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.7 -0.682 . . . . 2.26 110.368 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.16 -34.37 70.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.203 -0.453 . . . . 0.79 111.627 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.09 -28.02 0.57 Allowed Glycine 0 CA--C 1.532 1.119 0 N-CA-C 110.721 -0.951 . . . . 0.97 110.721 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.609 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 50.5 t90 -60.67 -179.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.73 -0.841 . . . . 0.37 108.73 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' HA ' ' OD1' ' A' ' 32' ' ' ASN . 2.2 p -166.17 -44.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.144 0.497 . . . . 1.58 109.928 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 p -159.52 146.19 16.54 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.318 -0.993 . . . . 1.06 108.318 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.829 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 17.2 p -62.94 157.61 21.29 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.312 -0.858 . . . . 0.2 110.225 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 p -52.86 -31.76 41.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.723 -0.671 . . . . 0.99 111.442 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.558 ' ND2' ' SG ' ' A' ' 15' ' ' CYS . 69.2 m-20 -63.3 -57.6 9.88 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.405 -0.518 . . . . 0.22 109.855 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' ASN . 48.5 m -55.64 -47.48 76.56 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.324 -0.398 . . . . 0.21 110.448 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -66.55 -25.05 66.47 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.1 -0.64 . . . . 1.63 111.329 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.653 ' HG2' ' CD1' ' A' ' 45' ' ' TRP . 29.3 ttm180 -80.65 -52.89 7.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.234 0.54 . . . . 2.25 111.424 -178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.653 ' CD1' ' HG2' ' A' ' 44' ' ' ARG . 12.4 m95 -91.96 -7.47 48.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.943 -0.572 . . . . 0.59 110.829 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m-80 60.79 67.71 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.692 -1.225 . . . . 0.63 107.692 -177.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.552 ' CG ' ' HB2' ' A' ' 45' ' ' TRP . 42.1 mtpt -104.66 -119.89 0.21 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.267 -0.879 . . . . 0.74 111.125 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -155.07 94.71 1.66 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.04 0.448 . . . . 1.35 110.609 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -71.99 105.27 3.82 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.191 -0.459 . . . . 0.25 110.144 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.1 t -147.3 156.07 42.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.143 0.497 . . . . 0.35 110.527 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.801 ' CG ' HD12 ' A' ' 54' ' ' LEU . 4.2 m-30 -109.39 49.59 0.82 Allowed 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 122.182 0.991 . . . . 0.31 108.428 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -69.34 -31.12 69.35 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.51 -1.223 . . . . 0.54 108.96 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.907 ' CZ2' HD21 ' A' ' 54' ' ' LEU . 22.7 p-90 -59.56 -40.72 88.22 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 106.972 -1.492 . . . . 0.38 106.972 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.907 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 71.5 mt -66.71 -32.78 74.3 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.364 -1.289 . . . . 0.45 110.69 177.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.561 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 49.9 m -75.9 -20.14 58.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.634 -0.712 . . . . 1.23 111.788 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.1 m -97.12 7.58 46.32 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.935 -0.478 . . . . 1.39 111.231 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.657 ' NE2' HD23 ' A' ' 54' ' ' LEU . 30.1 mt-30 -82.22 -127.03 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 120.669 -0.412 . . . . 1.29 110.937 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 70.7 ttt180 -54.68 -29.96 54.26 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 121.013 -0.275 . . . . 5.55 110.781 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -169.89 174.26 5.71 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.589 -0.523 . . . . 3.8 109.589 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.561 ' HA ' ' O ' ' A' ' 55' ' ' SER . 69.4 mmtt -70.65 76.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.992 0.425 . . . . 6.56 110.098 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.43 ' H ' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -48.02 -45.78 32.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.403 -0.817 . . . . 11.23 110.272 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.1 m -111.54 91.82 3.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.689 -0.485 . . . . 10.72 109.689 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.484 ' HB3' ' HB3' ' A' ' 60' ' ' LYS . 4.1 p . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.179 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_