data_1lac_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 1lac _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.716 1 N-CA-C 96.259 -5.459 . . . . 0.0 96.259 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -134.43 124.56 25.87 Favored 'General case' 0 C--N 1.279 -2.494 1 N-CA-C 92.568 -6.827 . . . . 0.0 92.568 178.651 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.271 15.8 mp0 -97.61 -168.44 1.68 Allowed 'General case' 0 C--N 1.278 -2.532 0 O-C-N 126.13 2.144 . . . . 0.0 108.267 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' HD21 ' A' ' 72' ' ' LEU . 32.2 t80 -110.19 -35.82 5.99 Favored 'General case' 0 N--CA 1.517 2.9 0 CA-C-O 121.292 0.568 . . . . 0.0 111.864 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.524 ' CG ' HG23 ' A' ' 68' ' ' VAL . 44.5 mmtt -129.84 172.73 11.36 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -107.49 -177.51 0.49 Allowed Pre-proline 0 C--N 1.299 -1.623 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.16 81.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 121.872 1.715 . . . . 0.0 110.056 155.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' HB3' HG13 ' A' ' 68' ' ' VAL . 8.7 t70 -122.57 -84.77 0.66 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.927 -2.249 . . . . 0.0 104.927 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 pt 38.33 37.64 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.24 -124.18 4.33 Favored Glycine 0 N--CA 1.479 1.563 0 N-CA-C 116.386 1.314 . . . . 0.0 116.386 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.15 141.73 35.35 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.51 -81.8 0.29 Allowed Glycine 0 C--N 1.298 -1.559 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.958 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 mm -136.77 84.9 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 125.868 1.57 . . . . 0.0 110.333 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.28 7.33 32.72 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 117.108 -1.837 . . . . 0.0 109.948 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 1.2 pm0 -124.82 -176.15 3.47 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 124.282 1.991 . . . . 0.0 114.242 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.09 108.79 0.56 Allowed Glycine 0 N--CA 1.491 2.346 0 CA-C-N 112.638 -2.074 . . . . 0.0 109.234 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -93.15 89.05 6.3 Favored 'General case' 0 C--N 1.297 -1.677 1 N-CA-C 100.036 -4.061 . . . . 0.0 100.036 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mt -84.67 107.53 15.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 t -85.21 -53.38 10.78 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 112.135 -2.302 . . . . 0.0 105.507 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' NZ ' ' OE2' ' A' ' 37' ' ' GLU . 48.3 tttt -133.85 162.22 32.6 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 115.052 -0.977 . . . . 0.0 113.428 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.413 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.1 m95 -127.1 166.56 17.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -122.89 -35.93 2.96 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 124.732 1.27 . . . . 0.0 110.139 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -100.78 175.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-O 122.142 0.972 . . . . 0.0 108.685 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.03 153.26 76.51 Favored Pre-proline 0 C--N 1.293 -1.873 0 N-CA-C 101.324 -3.584 . . . . 0.0 101.324 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.74 131.62 14.82 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.547 2.164 . . . . 0.0 111.507 -171.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.41 -6.99 26.57 Favored Glycine 0 N--CA 1.487 2.072 0 C-N-CA 119.203 -1.475 . . . . 0.0 113.105 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.38 -179.68 6.43 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 116.645 -2.022 . . . . 0.0 115.29 -179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.586 ' CD ' ' NZ ' ' A' ' 54' ' ' LYS . 19.4 mm-40 -101.83 120.15 39.92 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 101.086 -3.672 . . . . 0.0 101.086 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -104.69 162.29 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 C-N-CA 117.184 -1.806 . . . . 0.0 107.776 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.483 ' CG ' ' H ' ' A' ' 31' ' ' GLU . 29.1 t30 -98.38 -161.01 0.84 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.976 -1.465 . . . . 0.0 110.317 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.483 ' H ' ' CG ' ' A' ' 30' ' ' ASN . 6.2 tp10 -120.06 52.37 1.13 Allowed 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 p30 175.98 28.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 113.29 -1.777 . . . . 0.0 112.19 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -106.72 -175.0 2.67 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.521 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.472 HG13 ' H ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -107.9 -174.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 101.304 -3.591 . . . . 0.0 101.304 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' H ' HG13 ' A' ' 34' ' ' VAL . 2.0 mm? -136.61 -99.69 0.21 Allowed 'General case' 0 C--N 1.271 -2.845 1 CA-C-N 106.975 -4.648 . . . . 0.0 103.181 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.24 174.82 6.12 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 125.101 1.501 . . . . 0.0 109.549 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 20' ' ' LYS . 5.4 tt0 -125.49 109.19 12.41 Favored 'General case' 0 C--N 1.3 -1.575 1 N-CA-C 96.419 -5.401 . . . . 0.0 96.419 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.4 t -114.68 151.69 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 123.596 0.56 . . . . 0.0 109.558 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -113.63 153.25 29.19 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -156.59 176.79 12.25 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' OD2' ' NZ ' ' A' ' 42' ' ' LYS . 8.6 p-10 -10.78 -60.86 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 117.675 2.472 . . . . 0.0 117.675 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' NZ ' ' OD2' ' A' ' 41' ' ' ASP . 25.4 mttp -137.59 -13.4 1.51 Allowed 'General case' 0 C--N 1.294 -1.812 0 O-C-N 123.603 0.565 . . . . 0.0 109.669 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 45' ' ' VAL . . . -105.1 153.63 21.24 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 117.555 -1.658 . . . . 0.0 113.487 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 t -130.96 102.01 6.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 1 N-CA-C 93.933 -6.321 . . . . 0.0 93.933 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -136.91 -164.14 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' H ' HG11 ' A' ' 45' ' ' VAL . 13.3 pt-20 -123.54 176.27 6.3 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.2 mp -130.76 108.2 15.58 Favored Pre-proline 0 CA--C 1.588 2.431 1 N-CA-C 90.92 -7.437 . . . . 0.0 90.92 178.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.402 ' C ' HD21 ' A' ' 35' ' ' LEU . 16.9 Cg_endo -81.75 -171.5 1.22 Allowed 'Trans proline' 0 N--CA 1.503 2.075 0 CA-C-N 124.358 2.592 . . . . 0.0 109.014 164.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -86.21 129.21 54.57 Favored Pre-proline 0 N--CA 1.508 2.454 0 N-CA-C 102.634 -3.099 . . . . 0.0 102.634 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -72.07 -40.92 2.22 Favored 'Trans proline' 0 C--N 1.316 -1.159 0 C-N-CA 120.955 1.103 . . . . 0.0 109.341 144.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -139.67 163.21 25.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 O-C-N 124.796 1.31 . . . . 0.0 112.426 179.257 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.496 ' N ' ' CG2' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -107.8 153.3 23.19 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 108.648 -3.887 . . . . 0.0 105.638 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.88 -145.49 9.0 Favored Glycine 0 N--CA 1.5 2.953 1 N-CA-C 102.723 -4.151 . . . . 0.0 102.723 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.586 ' NZ ' ' CD ' ' A' ' 28' ' ' GLU . 11.9 tppt? -97.65 175.26 6.26 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 103.066 -2.939 . . . . 0.0 103.066 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' A' ' 54' ' ' LYS . 39.6 t -126.34 61.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.103 1 N-CA-C 98.307 -4.701 . . . . 0.0 98.307 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -29.04 -78.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 112.472 -2.149 . . . . 0.0 113.048 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -137.41 161.92 35.04 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 124.727 1.267 . . . . 0.0 110.133 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 92.5 mt -136.28 125.18 37.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 1 N-CA-C 93.853 -6.351 . . . . 0.0 93.853 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' N ' HD13 ' A' ' 59' ' ' LEU . 5.8 mp -95.64 -50.11 5.09 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 t -112.68 120.4 41.06 Favored Pre-proline 0 C--N 1.297 -1.691 1 N-CA-C 96.781 -5.266 . . . . 0.0 96.781 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -78.63 -97.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 120.788 0.992 . . . . 0.0 111.004 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.0 -174.48 3.27 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 104.424 -2.436 . . . . 0.0 104.424 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.35 -42.73 2.62 Favored Glycine 0 C--N 1.287 -2.14 0 CA-C-N 111.921 -2.4 . . . . 0.0 110.794 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -96.43 171.55 8.49 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.0 t -108.23 151.13 10.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 103.88 -2.637 . . . . 0.0 103.88 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.02 163.34 19.55 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 15' ' ' GLU 0.258 1.1 t -112.48 -157.63 0.62 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 101.49 -3.522 . . . . 0.0 101.49 179.621 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.524 HG23 ' CG ' ' A' ' 5' ' ' LYS . 63.7 t -118.91 161.49 17.89 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.484 1 N-CA-C 94.314 -6.18 . . . . 0.0 94.314 178.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.62 -49.0 1.84 Allowed Glycine 0 N--CA 1.492 2.415 1 N-CA-C 100.291 -5.124 . . . . 0.0 100.291 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 68' ' ' VAL . 36.1 tt0 -84.78 160.7 20.2 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 101.306 -3.59 . . . . 0.0 101.306 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 m -104.4 -176.59 3.12 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 100.868 -3.753 . . . . 0.0 100.868 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD21 ' CE2' ' A' ' 4' ' ' PHE . 34.6 tp -139.07 -68.6 0.44 Allowed 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.3 tt -134.73 163.18 37.31 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 N-CA-C 103.062 -2.94 . . . . 0.0 103.062 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 2' ' ' PHE . 3.5 t -139.75 161.63 37.08 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.32 146.49 51.39 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-N 112.564 -2.107 . . . . 0.0 108.955 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.61 134.14 51.76 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 100.429 -3.915 . . . . 0.0 100.429 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -142.34 60.9 10.97 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -46.82 72.91 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 123.869 3.046 . . . . 0.0 116.183 -175.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . 142.66 32.02 0.11 Allowed Glycine 0 N--CA 1.494 2.516 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.541 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 C--N 1.295 -1.793 0 N-CA-C 103.493 -2.78 . . . . 0.0 103.493 179.542 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' HB3' ' OE2' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.716 1 N-CA-C 96.259 -5.459 . . . . 0.0 96.259 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -134.43 124.56 25.87 Favored 'General case' 0 C--N 1.279 -2.494 1 N-CA-C 92.568 -6.827 . . . . 0.0 92.568 178.651 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 1' ' ' ALA 0.271 15.8 mp0 -97.61 -168.44 1.68 Allowed 'General case' 0 C--N 1.278 -2.532 0 O-C-N 126.13 2.144 . . . . 0.0 108.267 -179.599 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CE2' HD22 ' A' ' 72' ' ' LEU . 32.2 t80 -110.19 -35.82 5.99 Favored 'General case' 0 N--CA 1.517 2.9 0 CA-C-O 121.292 0.568 . . . . 0.0 111.864 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' CG ' HG22 ' A' ' 68' ' ' VAL . 44.5 mmtt -129.84 172.73 11.36 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -107.49 -177.51 0.49 Allowed Pre-proline 0 C--N 1.299 -1.623 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.16 81.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 121.872 1.715 . . . . 0.0 110.056 155.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.564 ' HB3' HG11 ' A' ' 68' ' ' VAL . 8.7 t70 -122.57 -84.77 0.66 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.927 -2.249 . . . . 0.0 104.927 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG23 HG12 ' A' ' 68' ' ' VAL . 22.9 pt 38.33 37.64 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.24 -124.18 4.33 Favored Glycine 0 N--CA 1.479 1.563 0 N-CA-C 116.386 1.314 . . . . 0.0 116.386 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.15 141.73 35.35 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.51 -81.8 0.29 Allowed Glycine 0 C--N 1.298 -1.559 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.958 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 mm -136.77 84.9 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 125.868 1.57 . . . . 0.0 110.333 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.28 7.33 32.72 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 117.108 -1.837 . . . . 0.0 109.948 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 1.2 pm0 -124.82 -176.15 3.47 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 124.282 1.991 . . . . 0.0 114.242 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.09 108.79 0.56 Allowed Glycine 0 N--CA 1.491 2.346 0 CA-C-N 112.638 -2.074 . . . . 0.0 109.234 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 21.0 tt0 -93.15 89.05 6.3 Favored 'General case' 0 C--N 1.297 -1.677 1 N-CA-C 100.036 -4.061 . . . . 0.0 100.036 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mt -84.67 107.53 15.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 t -85.21 -53.38 10.78 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 112.135 -2.302 . . . . 0.0 105.507 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 21' ' ' TRP . 48.3 tttt -133.85 162.22 32.6 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 115.052 -0.977 . . . . 0.0 113.428 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.471 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.1 m95 -127.1 166.56 17.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -122.89 -35.93 2.96 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 124.732 1.27 . . . . 0.0 110.139 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -100.78 175.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-O 122.142 0.972 . . . . 0.0 108.685 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.03 153.26 76.51 Favored Pre-proline 0 C--N 1.293 -1.873 0 N-CA-C 101.324 -3.584 . . . . 0.0 101.324 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.74 131.62 14.82 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.547 2.164 . . . . 0.0 111.507 -171.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.41 -6.99 26.57 Favored Glycine 0 N--CA 1.487 2.072 0 C-N-CA 119.203 -1.475 . . . . 0.0 113.105 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -87.38 -179.68 6.43 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 116.645 -2.022 . . . . 0.0 115.29 -179.17 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.586 ' CD ' ' NZ ' ' A' ' 54' ' ' LYS . 19.4 mm-40 -101.83 120.15 39.92 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 101.086 -3.672 . . . . 0.0 101.086 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -104.69 162.29 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 C-N-CA 117.184 -1.806 . . . . 0.0 107.776 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.491 ' CG ' ' H ' ' A' ' 31' ' ' GLU . 2.3 t-20 -98.38 -161.01 0.84 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.976 -1.465 . . . . 0.0 110.317 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.559 ' HA ' ' OE1' ' A' ' 31' ' ' GLU . 6.2 tp10 -120.06 52.37 1.13 Allowed 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' OD1' ' HB3' ' A' ' 30' ' ' ASN . 9.6 p30 175.98 28.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 113.29 -1.777 . . . . 0.0 112.19 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -106.72 -175.0 2.67 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.521 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -107.9 -174.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 101.304 -3.591 . . . . 0.0 101.304 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.548 ' H ' HG12 ' A' ' 34' ' ' VAL . 2.0 mm? -136.61 -99.69 0.21 Allowed 'General case' 0 C--N 1.271 -2.845 1 CA-C-N 106.975 -4.648 . . . . 0.0 103.181 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.24 174.82 6.12 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 125.101 1.501 . . . . 0.0 109.549 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' OE2' ' NZ ' ' A' ' 20' ' ' LYS . 5.4 tt0 -125.49 109.19 12.41 Favored 'General case' 0 C--N 1.3 -1.575 1 N-CA-C 96.419 -5.401 . . . . 0.0 96.419 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 58.4 t -114.68 151.69 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 123.596 0.56 . . . . 0.0 109.558 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -113.63 153.25 29.19 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.492 HD21 ' HB3' ' A' ' 43' ' ' ALA . 7.9 p-10 -156.59 176.79 12.25 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' OD2' ' NZ ' ' A' ' 42' ' ' LYS . 8.6 p-10 -10.78 -60.86 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 117.675 2.472 . . . . 0.0 117.675 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' NZ ' ' OD2' ' A' ' 41' ' ' ASP . 25.4 mttp -137.59 -13.4 1.51 Allowed 'General case' 0 C--N 1.294 -1.812 0 O-C-N 123.603 0.565 . . . . 0.0 109.669 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.504 ' HB1' ' CG2' ' A' ' 45' ' ' VAL . . . -105.1 153.63 21.24 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 117.555 -1.658 . . . . 0.0 113.487 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 t -130.96 102.01 6.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 1 N-CA-C 93.933 -6.321 . . . . 0.0 93.933 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG2' ' HB1' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -136.91 -164.14 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' H ' HG12 ' A' ' 45' ' ' VAL . 13.3 pt-20 -123.54 176.27 6.3 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.495 HG22 ' HG ' ' A' ' 35' ' ' LEU . 2.2 mp -130.76 108.2 15.58 Favored Pre-proline 0 CA--C 1.588 2.431 1 N-CA-C 90.92 -7.437 . . . . 0.0 90.92 178.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.472 ' O ' HD23 ' A' ' 35' ' ' LEU . 16.9 Cg_endo -81.75 -171.5 1.22 Allowed 'Trans proline' 0 N--CA 1.503 2.075 0 CA-C-N 124.358 2.592 . . . . 0.0 109.014 164.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -86.21 129.21 54.57 Favored Pre-proline 0 N--CA 1.508 2.454 0 N-CA-C 102.634 -3.099 . . . . 0.0 102.634 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -72.07 -40.92 2.22 Favored 'Trans proline' 0 C--N 1.316 -1.159 0 C-N-CA 120.955 1.103 . . . . 0.0 109.341 144.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -139.67 163.21 25.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 O-C-N 124.796 1.31 . . . . 0.0 112.426 179.257 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -107.8 153.3 23.19 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 108.648 -3.887 . . . . 0.0 105.638 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.88 -145.49 9.0 Favored Glycine 0 N--CA 1.5 2.953 1 N-CA-C 102.723 -4.151 . . . . 0.0 102.723 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.586 ' NZ ' ' CD ' ' A' ' 28' ' ' GLU . 11.9 tppt? -97.65 175.26 6.26 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 103.066 -2.939 . . . . 0.0 103.066 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.486 HG13 HD11 ' A' ' 73' ' ' ILE . 39.6 t -126.34 61.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.103 1 N-CA-C 98.307 -4.701 . . . . 0.0 98.307 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -29.04 -78.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 112.472 -2.149 . . . . 0.0 113.048 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -137.41 161.92 35.04 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 124.727 1.267 . . . . 0.0 110.133 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 92.5 mt -136.28 125.18 37.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 1 N-CA-C 93.853 -6.351 . . . . 0.0 93.853 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 59' ' ' LEU . 5.8 mp -95.64 -50.11 5.09 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 t -112.68 120.4 41.06 Favored Pre-proline 0 C--N 1.297 -1.691 1 N-CA-C 96.781 -5.266 . . . . 0.0 96.781 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -78.63 -97.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 120.788 0.992 . . . . 0.0 111.004 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.0 -174.48 3.27 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 104.424 -2.436 . . . . 0.0 104.424 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.35 -42.73 2.62 Favored Glycine 0 C--N 1.287 -2.14 0 CA-C-N 111.921 -2.4 . . . . 0.0 110.794 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -96.43 171.55 8.49 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.0 t -108.23 151.13 10.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 103.88 -2.637 . . . . 0.0 103.88 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.02 163.34 19.55 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' GLU 0.258 1.1 t -112.48 -157.63 0.62 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 101.49 -3.522 . . . . 0.0 101.49 179.621 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 8' ' ' ASP . 63.7 t -118.91 161.49 17.89 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.484 1 N-CA-C 94.314 -6.18 . . . . 0.0 94.314 178.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.4 ' N ' HG12 ' A' ' 68' ' ' VAL . . . 95.62 -49.0 1.84 Allowed Glycine 0 N--CA 1.492 2.415 1 N-CA-C 100.291 -5.124 . . . . 0.0 100.291 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 68' ' ' VAL . 36.1 tt0 -84.78 160.7 20.2 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 101.306 -3.59 . . . . 0.0 101.306 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 m -104.4 -176.59 3.12 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 100.868 -3.753 . . . . 0.0 100.868 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 4' ' ' PHE . 34.6 tp -139.07 -68.6 0.44 Allowed 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.486 HD11 HG13 ' A' ' 55' ' ' VAL . 4.3 tt -134.73 163.18 37.31 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 N-CA-C 103.062 -2.94 . . . . 0.0 103.062 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 2' ' ' PHE . 3.5 t -139.75 161.63 37.08 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -133.32 146.49 51.39 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-N 112.564 -2.107 . . . . 0.0 108.955 -179.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.61 134.14 51.76 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 100.429 -3.915 . . . . 0.0 100.429 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -142.34 60.9 10.97 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -46.82 72.91 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 123.869 3.046 . . . . 0.0 116.183 -175.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . 142.66 32.02 0.11 Allowed Glycine 0 N--CA 1.494 2.516 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.541 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 C--N 1.295 -1.793 0 N-CA-C 103.493 -2.78 . . . . 0.0 103.493 179.542 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' HB3' ' OE2' ' A' ' 3' ' ' GLU . . . . . . . . 0 N--CA 1.493 1.716 1 N-CA-C 96.259 -5.459 . . . . 0.0 96.259 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.543 ' O ' ' HA ' ' A' ' 74' ' ' THR . 0.5 OUTLIER -134.43 124.56 25.87 Favored 'General case' 0 C--N 1.279 -2.494 1 N-CA-C 92.568 -6.827 . . . . 0.0 92.568 178.651 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 1' ' ' ALA 0.271 15.8 mp0 -97.61 -168.44 1.68 Allowed 'General case' 0 C--N 1.278 -2.532 0 O-C-N 126.13 2.144 . . . . 0.0 108.267 -179.599 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CE2' HD22 ' A' ' 72' ' ' LEU . 32.2 t80 -110.19 -35.82 5.99 Favored 'General case' 0 N--CA 1.517 2.9 0 CA-C-O 121.292 0.568 . . . . 0.0 111.864 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' CG ' HG22 ' A' ' 68' ' ' VAL . 44.5 mmtt -129.84 172.73 11.36 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -107.49 -177.51 0.49 Allowed Pre-proline 0 C--N 1.299 -1.623 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -54.16 81.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 121.872 1.715 . . . . 0.0 110.056 155.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.564 ' HB3' HG11 ' A' ' 68' ' ' VAL . 8.7 t70 -122.57 -84.77 0.66 Allowed 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.927 -2.249 . . . . 0.0 104.927 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG23 HG12 ' A' ' 68' ' ' VAL . 22.9 pt 38.33 37.64 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.24 -124.18 4.33 Favored Glycine 0 N--CA 1.479 1.563 0 N-CA-C 116.386 1.314 . . . . 0.0 116.386 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.15 141.73 35.35 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.51 -81.8 0.29 Allowed Glycine 0 C--N 1.298 -1.559 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.958 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 mm -136.77 84.9 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 125.868 1.57 . . . . 0.0 110.333 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.28 7.33 32.72 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 117.108 -1.837 . . . . 0.0 109.948 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 1.2 pm0 -124.82 -176.15 3.47 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 124.282 1.991 . . . . 0.0 114.242 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -141.09 108.79 0.56 Allowed Glycine 0 N--CA 1.491 2.346 0 CA-C-N 112.638 -2.074 . . . . 0.0 109.234 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 21.0 tt0 -93.15 89.05 6.3 Favored 'General case' 0 C--N 1.297 -1.677 1 N-CA-C 100.036 -4.061 . . . . 0.0 100.036 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mt -84.67 107.53 15.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 t -85.21 -53.38 10.78 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 112.135 -2.302 . . . . 0.0 105.507 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 21' ' ' TRP . 48.3 tttt -133.85 162.22 32.6 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 115.052 -0.977 . . . . 0.0 113.428 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.471 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.1 m95 -127.1 166.56 17.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -122.89 -35.93 2.96 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 124.732 1.27 . . . . 0.0 110.139 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.0 m -100.78 175.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-O 122.142 0.972 . . . . 0.0 108.685 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.03 153.26 76.51 Favored Pre-proline 0 C--N 1.293 -1.873 0 N-CA-C 101.324 -3.584 . . . . 0.0 101.324 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.74 131.62 14.82 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.547 2.164 . . . . 0.0 111.507 -171.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.41 -6.99 26.57 Favored Glycine 0 N--CA 1.487 2.072 0 C-N-CA 119.203 -1.475 . . . . 0.0 113.105 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -87.38 -179.68 6.43 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 116.645 -2.022 . . . . 0.0 115.29 -179.17 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.586 ' CD ' ' NZ ' ' A' ' 54' ' ' LYS . 19.4 mm-40 -101.83 120.15 39.92 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 101.086 -3.672 . . . . 0.0 101.086 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -104.69 162.29 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 C-N-CA 117.184 -1.806 . . . . 0.0 107.776 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.522 HD22 ' CG ' ' A' ' 32' ' ' ASP . 29.1 t30 -98.38 -161.01 0.84 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.976 -1.465 . . . . 0.0 110.317 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.559 ' HA ' ' OE1' ' A' ' 31' ' ' GLU . 6.2 tp10 -120.06 52.37 1.13 Allowed 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.522 ' CG ' HD22 ' A' ' 30' ' ' ASN . 9.6 p30 175.98 28.36 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 113.29 -1.777 . . . . 0.0 112.19 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -106.72 -175.0 2.67 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 118.897 -1.121 . . . . 0.0 108.521 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -107.9 -174.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 101.304 -3.591 . . . . 0.0 101.304 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.548 ' H ' HG12 ' A' ' 34' ' ' VAL . 2.0 mm? -136.61 -99.69 0.21 Allowed 'General case' 0 C--N 1.271 -2.845 1 CA-C-N 106.975 -4.648 . . . . 0.0 103.181 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.24 174.82 6.12 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 125.101 1.501 . . . . 0.0 109.549 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' OE2' ' NZ ' ' A' ' 20' ' ' LYS . 5.4 tt0 -125.49 109.19 12.41 Favored 'General case' 0 C--N 1.3 -1.575 1 N-CA-C 96.419 -5.401 . . . . 0.0 96.419 179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 17' ' ' GLU . 58.4 t -114.68 151.69 16.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 123.596 0.56 . . . . 0.0 109.558 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -113.63 153.25 29.19 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.492 HD21 ' HB3' ' A' ' 43' ' ' ALA . 7.9 p-10 -156.59 176.79 12.25 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' OD2' ' NZ ' ' A' ' 42' ' ' LYS . 8.6 p-10 -10.78 -60.86 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 117.675 2.472 . . . . 0.0 117.675 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' NZ ' ' OD2' ' A' ' 41' ' ' ASP . 25.4 mttp -137.59 -13.4 1.51 Allowed 'General case' 0 C--N 1.294 -1.812 0 O-C-N 123.603 0.565 . . . . 0.0 109.669 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.504 ' HB1' ' CG2' ' A' ' 45' ' ' VAL . . . -105.1 153.63 21.24 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 117.555 -1.658 . . . . 0.0 113.487 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 t -130.96 102.01 6.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 1 N-CA-C 93.933 -6.321 . . . . 0.0 93.933 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG2' ' HB1' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -136.91 -164.14 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' H ' HG12 ' A' ' 45' ' ' VAL . 13.3 pt-20 -123.54 176.27 6.3 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.495 HG22 ' HG ' ' A' ' 35' ' ' LEU . 2.2 mp -130.76 108.2 15.58 Favored Pre-proline 0 CA--C 1.588 2.431 1 N-CA-C 90.92 -7.437 . . . . 0.0 90.92 178.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.472 ' O ' HD23 ' A' ' 35' ' ' LEU . 16.9 Cg_endo -81.75 -171.5 1.22 Allowed 'Trans proline' 0 N--CA 1.503 2.075 0 CA-C-N 124.358 2.592 . . . . 0.0 109.014 164.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -86.21 129.21 54.57 Favored Pre-proline 0 N--CA 1.508 2.454 0 N-CA-C 102.634 -3.099 . . . . 0.0 102.634 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -72.07 -40.92 2.22 Favored 'Trans proline' 0 C--N 1.316 -1.159 0 C-N-CA 120.955 1.103 . . . . 0.0 109.341 144.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -139.67 163.21 25.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 O-C-N 124.796 1.31 . . . . 0.0 112.426 179.257 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HD3' ' H ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -107.8 153.3 23.19 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 108.648 -3.887 . . . . 0.0 105.638 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.88 -145.49 9.0 Favored Glycine 0 N--CA 1.5 2.953 1 N-CA-C 102.723 -4.151 . . . . 0.0 102.723 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.586 ' NZ ' ' CD ' ' A' ' 28' ' ' GLU . 11.9 tppt? -97.65 175.26 6.26 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 103.066 -2.939 . . . . 0.0 103.066 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.486 HG13 HD11 ' A' ' 73' ' ' ILE . 39.6 t -126.34 61.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.103 1 N-CA-C 98.307 -4.701 . . . . 0.0 98.307 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.2 mt -29.04 -78.43 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 112.472 -2.149 . . . . 0.0 113.048 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -137.41 161.92 35.04 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 124.727 1.267 . . . . 0.0 110.133 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 92.5 mt -136.28 125.18 37.62 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 1 N-CA-C 93.853 -6.351 . . . . 0.0 93.853 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 59' ' ' LEU . 5.8 mp -95.64 -50.11 5.09 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 t -112.68 120.4 41.06 Favored Pre-proline 0 C--N 1.297 -1.691 1 N-CA-C 96.781 -5.266 . . . . 0.0 96.781 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -78.63 -97.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 120.788 0.992 . . . . 0.0 111.004 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.0 -174.48 3.27 Favored 'General case' 0 C--N 1.287 -2.118 0 N-CA-C 104.424 -2.436 . . . . 0.0 104.424 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.35 -42.73 2.62 Favored Glycine 0 C--N 1.287 -2.14 0 CA-C-N 111.921 -2.4 . . . . 0.0 110.794 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -96.43 171.55 8.49 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.0 t -108.23 151.13 10.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 103.88 -2.637 . . . . 0.0 103.88 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -122.02 163.34 19.55 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' GLU 0.258 1.1 t -112.48 -157.63 0.62 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 101.49 -3.522 . . . . 0.0 101.49 179.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.564 HG11 ' HB3' ' A' ' 8' ' ' ASP . 63.7 t -118.91 161.49 17.89 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.484 1 N-CA-C 94.314 -6.18 . . . . 0.0 94.314 178.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.4 ' N ' HG12 ' A' ' 68' ' ' VAL . . . 95.62 -49.0 1.84 Allowed Glycine 0 N--CA 1.492 2.415 1 N-CA-C 100.291 -5.124 . . . . 0.0 100.291 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 68' ' ' VAL . 36.1 tt0 -84.78 160.7 20.2 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 101.306 -3.59 . . . . 0.0 101.306 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.0 m -104.4 -176.59 3.12 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 100.868 -3.753 . . . . 0.0 100.868 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 4' ' ' PHE . 34.6 tp -139.07 -68.6 0.44 Allowed 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.486 HD11 HG13 ' A' ' 55' ' ' VAL . 4.3 tt -134.73 163.18 37.31 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 N-CA-C 103.062 -2.94 . . . . 0.0 103.062 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 2' ' ' PHE . 3.5 t -139.75 161.63 37.08 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -133.32 146.49 51.39 Favored 'General case' 0 C--N 1.287 -2.113 0 CA-C-N 112.564 -2.107 . . . . 0.0 108.955 -179.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.61 134.14 51.76 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 100.429 -3.915 . . . . 0.0 100.429 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -142.34 60.9 10.97 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -46.82 72.91 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 123.869 3.046 . . . . 0.0 116.183 -175.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . 142.66 32.02 0.11 Allowed Glycine 0 N--CA 1.494 2.516 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.541 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 C--N 1.295 -1.793 0 N-CA-C 103.493 -2.78 . . . . 0.0 103.493 179.542 . . . . . . . . 0 0 . 1 stop_ save_