data_1gbq_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 1gbq _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' ' ' MET . . . . . 0.415 ' SD ' ' HB3' ' A' ' 57' ' ' PRO . 3.1 ttp . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -78.9 109.56 13.3 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -101.45 135.57 42.73 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 111.583 -2.553 . . . . 0.0 106.997 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 85.0 mt -136.91 117.83 17.77 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 113.318 -1.765 . . . . 0.0 109.211 -176.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.23 124.81 24.15 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 113.566 -1.652 . . . . 0.0 112.165 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -89.4 -24.52 21.9 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 113.592 -1.64 . . . . 0.0 111.127 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -139.63 166.01 25.73 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 112.476 -2.147 . . . . 0.0 109.388 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -84.54 129.28 34.87 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 111.511 -2.586 . . . . 0.0 107.222 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -138.21 131.38 30.19 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.556 -2.111 . . . . 0.0 112.416 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.61 124.38 51.05 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 111.047 -2.797 . . . . 0.0 107.18 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.82 158.36 1.02 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 123.462 1.601 . . . . 0.0 113.776 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 ' HG1' ' CD ' ' A' ' 16' ' ' GLU . 21.4 p -111.32 -13.6 13.91 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 110.215 -3.175 . . . . 0.0 112.218 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.497 ' CB ' HH21 ' B' ' 8' ' ' ARG . . . -150.93 170.8 18.43 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.217 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -67.32 -25.15 65.88 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 110.989 -2.823 . . . . 0.0 113.574 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -83.47 -19.61 35.52 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.955 -1.475 . . . . 0.0 112.276 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' CD ' ' HG1' ' A' ' 12' ' ' THR . 37.1 mt-10 -99.97 156.64 17.04 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 112.879 -1.964 . . . . 0.0 110.348 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -135.41 156.94 48.1 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.898 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -86.13 160.41 19.25 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 109.783 -3.372 . . . . 0.0 112.293 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 36.5 p90 -159.72 152.23 21.2 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 109.764 -3.38 . . . . 0.0 107.74 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -107.35 144.68 33.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 112.085 -2.325 . . . . 0.0 106.77 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -45.8 95.1 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 O-C-N 125.511 1.757 . . . . 0.0 113.008 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.28 8.97 5.74 Favored Glycine 0 CA--C 1.542 1.747 0 CA-C-N 113.521 -1.672 . . . . 0.0 115.398 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -76.07 151.44 37.09 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 117.788 -1.565 . . . . 0.0 110.972 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mt -103.17 115.15 44.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 CA-C-N 111.748 -2.478 . . . . 0.0 105.062 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 3' ' ' ALA 0.28 0.2 OUTLIER -103.7 164.46 11.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 110.794 -2.912 . . . . 0.0 109.754 -177.337 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -131.08 111.42 11.97 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 112.132 -2.303 . . . . 0.0 108.491 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.47 108.81 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-O 123.765 1.745 . . . . 0.0 108.076 -175.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -91.0 -31.23 16.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 109.156 -3.656 . . . . 0.0 111.423 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -152.78 157.98 41.6 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 123.167 1.46 . . . . 0.0 110.859 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -172.97 113.72 0.25 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 110.344 -3.117 . . . . 0.0 105.342 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -166.03 31.22 0.05 OUTLIER 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.409 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.1 m -154.05 -84.2 0.07 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.099 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.56 133.76 35.83 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.589 -1.642 . . . . 0.0 112.31 -176.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -101.61 51.87 0.83 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 111.673 -2.512 . . . . 0.0 104.632 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -164.77 -23.23 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 110.586 -3.007 . . . . 0.0 109.892 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -137.54 125.83 23.23 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-O 122.334 1.064 . . . . 0.0 111.314 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.606 ' OH ' ' SD ' ' A' ' 55' ' ' MET . 22.2 m-85 -105.01 143.72 32.8 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 111.946 -2.388 . . . . 0.0 109.015 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -103.24 91.31 4.03 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.71 -171.22 1.85 Allowed 'General case' 0 C--N 1.357 0.933 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.085 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -131.51 137.47 48.55 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 125.027 1.454 . . . . 0.0 112.201 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.274 12.4 mt -161.63 142.47 10.93 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 110.342 -3.117 . . . . 0.0 113.393 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.73 39.07 31.13 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 109.784 -3.371 . . . . 0.0 114.808 170.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.45 16.45 75.64 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-N 113.584 -1.644 . . . . 0.0 114.037 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -133.94 169.49 17.02 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.12 137.7 31.13 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 113.407 -1.724 . . . . 0.0 106.819 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -171.47 178.8 43.61 Favored Glycine 0 C--N 1.348 1.221 0 C-N-CA 118.986 -1.578 . . . . 0.0 112.135 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -79.85 140.87 36.62 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 111.572 -2.314 . . . . 0.0 111.367 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.5 pt -140.25 141.4 26.15 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 112.664 -2.062 . . . . 0.0 107.393 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -70.9 140.78 39.13 Favored 'Trans proline' 0 C--N 1.367 1.54 0 C-N-CA 121.417 1.411 . . . . 0.0 113.457 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -72.01 -20.88 61.64 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 116.32 -2.152 . . . . 0.0 112.286 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -80.06 -13.78 59.04 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 119.53 -0.868 . . . . 0.0 113.277 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -92.16 -2.14 56.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 118.061 -1.456 . . . . 0.0 112.583 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.42 158.26 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 CA-C-O 121.975 0.893 . . . . 0.0 111.277 179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -106.93 116.61 32.23 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 104.125 -2.546 . . . . 0.0 104.125 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.606 ' SD ' ' OH ' ' A' ' 37' ' ' TYR . 15.5 mtm -88.54 144.34 26.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 112.67 -2.059 . . . . 0.0 111.137 -176.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -153.28 83.7 4.52 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 111.477 -2.601 . . . . 0.0 105.14 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 51.6 Cg_endo . . . . . 0 C--N 1.367 1.528 0 C-N-CA 122.114 1.876 . . . . 0.0 113.965 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 99.1 t -117.59 97.72 51.03 Favored Pre-proline 0 CA--C 1.543 0.703 0 O-C-N 125.437 1.71 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.8 151.78 38.61 Favored 'Trans proline' 0 CA--C 1.562 1.899 0 C-N-CA 121.407 1.404 . . . . 0.0 115.278 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -50.0 162.07 0.84 Allowed 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 125.223 3.949 . . . . 0.0 118.042 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.15 122.79 4.3 Favored 'Trans proline' 0 C--N 1.366 1.488 0 N-CA-C 105.943 -2.368 . . . . 0.0 105.943 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.9 t -69.07 139.46 90.33 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 111.773 -2.467 . . . . 0.0 112.243 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.18 157.41 49.77 Favored 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 121.068 1.179 . . . . 0.0 114.322 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -76.41 114.27 3.85 Favored 'Trans proline' 0 C--N 1.362 1.268 0 N-CA-C 107.4 -1.808 . . . . 0.0 107.4 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.497 HH21 ' CB ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -89.63 67.33 7.44 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 123.51 1.624 . . . . 0.0 113.509 -176.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -160.06 108.53 1.71 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 111.238 -2.71 . . . . 0.0 107.034 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 46.2 mmm-85 -84.05 -37.09 22.55 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.551 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.718 0 O-C-N 123.328 0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttp . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -78.9 109.56 13.3 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . . . -101.45 135.57 42.73 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 111.583 -2.553 . . . . 0.0 106.997 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 85.0 mt -136.91 117.83 17.77 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 113.318 -1.765 . . . . 0.0 109.211 -176.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -67.23 124.81 24.15 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 113.566 -1.652 . . . . 0.0 112.165 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -89.4 -24.52 21.9 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 113.592 -1.64 . . . . 0.0 111.127 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -139.63 166.01 25.73 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 112.476 -2.147 . . . . 0.0 109.388 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -84.54 129.28 34.87 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 111.511 -2.586 . . . . 0.0 107.222 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -138.21 131.38 30.19 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.556 -2.111 . . . . 0.0 112.416 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.61 124.38 51.05 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 111.047 -2.797 . . . . 0.0 107.18 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.82 158.36 1.02 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 123.462 1.601 . . . . 0.0 113.776 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 p -111.32 -13.6 13.91 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 110.215 -3.175 . . . . 0.0 112.218 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.515 ' CB ' HH21 ' B' ' 8' ' ' ARG . . . -150.93 170.8 18.43 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.217 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -67.32 -25.15 65.88 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 110.989 -2.823 . . . . 0.0 113.574 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -83.47 -19.61 35.52 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.955 -1.475 . . . . 0.0 112.276 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -99.97 156.64 17.04 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 112.879 -1.964 . . . . 0.0 110.348 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -135.41 156.94 48.1 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.898 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -86.13 160.41 19.25 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 109.783 -3.372 . . . . 0.0 112.293 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 36.5 p90 -159.72 152.23 21.2 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 109.764 -3.38 . . . . 0.0 107.74 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -107.35 144.68 33.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 112.085 -2.325 . . . . 0.0 106.77 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -45.8 95.1 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 O-C-N 125.511 1.757 . . . . 0.0 113.008 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 124.28 8.97 5.74 Favored Glycine 0 CA--C 1.542 1.747 0 CA-C-N 113.521 -1.672 . . . . 0.0 115.398 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -76.07 151.44 37.09 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 117.788 -1.565 . . . . 0.0 110.972 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mt -103.17 115.15 44.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 CA-C-N 111.748 -2.478 . . . . 0.0 105.062 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.744 ' HB2' ' HB3' ' A' ' 3' ' ' ALA 0.28 0.2 OUTLIER -103.7 164.46 11.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 110.794 -2.912 . . . . 0.0 109.754 -177.337 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -131.08 111.42 11.97 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 112.132 -2.303 . . . . 0.0 108.491 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 48.3 t -88.47 108.81 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-O 123.765 1.745 . . . . 0.0 108.076 -175.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -91.0 -31.23 16.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 109.156 -3.656 . . . . 0.0 111.423 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -152.78 157.98 41.6 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 123.167 1.46 . . . . 0.0 110.859 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -172.97 113.72 0.25 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 110.344 -3.117 . . . . 0.0 105.342 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -166.03 31.22 0.05 OUTLIER 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.409 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.1 m -154.05 -84.2 0.07 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.099 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.56 133.76 35.83 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.589 -1.642 . . . . 0.0 112.31 -176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -101.61 51.87 0.83 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 111.673 -2.512 . . . . 0.0 104.632 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -164.77 -23.23 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 110.586 -3.007 . . . . 0.0 109.892 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.41 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 73.5 m95 -137.54 125.83 23.23 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-O 122.334 1.064 . . . . 0.0 111.314 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.506 ' OH ' ' SD ' ' A' ' 55' ' ' MET . 22.2 m-85 -105.01 143.72 32.8 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 111.946 -2.388 . . . . 0.0 109.015 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -103.24 91.31 4.03 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.71 -171.22 1.85 Allowed 'General case' 0 C--N 1.357 0.933 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.085 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -131.51 137.47 48.55 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 125.027 1.454 . . . . 0.0 112.201 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.623 HD11 HD11 ' A' ' 25' ' ' LEU 0.274 12.4 mt -161.63 142.47 10.93 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 110.342 -3.117 . . . . 0.0 113.393 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.73 39.07 31.13 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 109.784 -3.371 . . . . 0.0 114.808 170.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.45 16.45 75.64 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-N 113.584 -1.644 . . . . 0.0 114.037 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -133.94 169.49 17.02 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.12 137.7 31.13 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 113.407 -1.724 . . . . 0.0 106.819 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -171.47 178.8 43.61 Favored Glycine 0 C--N 1.348 1.221 0 C-N-CA 118.986 -1.578 . . . . 0.0 112.135 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -79.85 140.87 36.62 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 111.572 -2.314 . . . . 0.0 111.367 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.5 pt -140.25 141.4 26.15 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 112.664 -2.062 . . . . 0.0 107.393 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -70.9 140.78 39.13 Favored 'Trans proline' 0 C--N 1.367 1.54 0 C-N-CA 121.417 1.411 . . . . 0.0 113.457 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -72.01 -20.88 61.64 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 116.32 -2.152 . . . . 0.0 112.286 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.452 HD22 ' HB2' ' B' ' 3' ' ' PRO . 1.7 p-10 -80.06 -13.78 59.04 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 119.53 -0.868 . . . . 0.0 113.277 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.5 m-85 -92.16 -2.14 56.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 118.061 -1.456 . . . . 0.0 112.583 177.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.682 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -132.42 158.26 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 CA-C-O 121.975 0.893 . . . . 0.0 111.277 179.283 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -106.93 116.61 32.23 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 104.125 -2.546 . . . . 0.0 104.125 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.506 ' SD ' ' OH ' ' A' ' 37' ' ' TYR . 15.5 mtm -88.54 144.34 26.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 112.67 -2.059 . . . . 0.0 111.137 -176.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -153.28 83.7 4.52 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 111.477 -2.601 . . . . 0.0 105.14 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--N 1.367 1.528 0 C-N-CA 122.114 1.876 . . . . 0.0 113.965 -177.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 99.1 t -117.59 97.72 51.03 Favored Pre-proline 0 CA--C 1.543 0.703 0 O-C-N 125.437 1.71 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.8 151.78 38.61 Favored 'Trans proline' 0 CA--C 1.562 1.899 0 C-N-CA 121.407 1.404 . . . . 0.0 115.278 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.452 ' HB2' HD22 ' A' ' 51' ' ' ASN . 94.5 Cg_exo -50.0 162.07 0.84 Allowed 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 125.223 3.949 . . . . 0.0 118.042 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.15 122.79 4.3 Favored 'Trans proline' 0 C--N 1.366 1.488 0 N-CA-C 105.943 -2.368 . . . . 0.0 105.943 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.466 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.9 t -69.07 139.46 90.33 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 111.773 -2.467 . . . . 0.0 112.243 -176.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.18 157.41 49.77 Favored 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 121.068 1.179 . . . . 0.0 114.322 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -76.41 114.27 3.85 Favored 'Trans proline' 0 C--N 1.362 1.268 0 N-CA-C 107.4 -1.808 . . . . 0.0 107.4 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.515 HH21 ' CB ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -89.63 67.33 7.44 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 123.51 1.624 . . . . 0.0 113.509 -176.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -160.06 108.53 1.71 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 111.238 -2.71 . . . . 0.0 107.034 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 46.2 mmm-85 -84.05 -37.09 22.55 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.551 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.718 0 O-C-N 123.328 0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttp . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -78.9 109.56 13.3 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.757 -1.942 . . . . 0.0 105.757 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.744 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . . . -101.45 135.57 42.73 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 111.583 -2.553 . . . . 0.0 106.997 -178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 85.0 mt -136.91 117.83 17.77 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 113.318 -1.765 . . . . 0.0 109.211 -176.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -67.23 124.81 24.15 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 113.566 -1.652 . . . . 0.0 112.165 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -89.4 -24.52 21.9 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 113.592 -1.64 . . . . 0.0 111.127 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -139.63 166.01 25.73 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 112.476 -2.147 . . . . 0.0 109.388 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -84.54 129.28 34.87 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 111.511 -2.586 . . . . 0.0 107.222 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -138.21 131.38 30.19 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.556 -2.111 . . . . 0.0 112.416 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.61 124.38 51.05 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 111.047 -2.797 . . . . 0.0 107.18 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.82 158.36 1.02 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 123.462 1.601 . . . . 0.0 113.776 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 p -111.32 -13.6 13.91 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 110.215 -3.175 . . . . 0.0 112.218 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.515 ' CB ' HH21 ' B' ' 8' ' ' ARG . . . -150.93 170.8 18.43 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.217 -177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -67.32 -25.15 65.88 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 110.989 -2.823 . . . . 0.0 113.574 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -83.47 -19.61 35.52 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.955 -1.475 . . . . 0.0 112.276 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -99.97 156.64 17.04 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 112.879 -1.964 . . . . 0.0 110.348 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -135.41 156.94 48.1 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.898 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -86.13 160.41 19.25 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 109.783 -3.372 . . . . 0.0 112.293 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 36.5 p90 -159.72 152.23 21.2 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 109.764 -3.38 . . . . 0.0 107.74 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -107.35 144.68 33.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 112.085 -2.325 . . . . 0.0 106.77 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -45.8 95.1 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.105 0 O-C-N 125.511 1.757 . . . . 0.0 113.008 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.47 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 124.28 8.97 5.74 Favored Glycine 0 CA--C 1.542 1.747 0 CA-C-N 113.521 -1.672 . . . . 0.0 115.398 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -76.07 151.44 37.09 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 117.788 -1.565 . . . . 0.0 110.972 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mt -103.17 115.15 44.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 CA-C-N 111.748 -2.478 . . . . 0.0 105.062 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.744 ' HB2' ' HB3' ' A' ' 3' ' ' ALA 0.28 0.2 OUTLIER -103.7 164.46 11.66 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 110.794 -2.912 . . . . 0.0 109.754 -177.337 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -131.08 111.42 11.97 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 112.132 -2.303 . . . . 0.0 108.491 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 48.3 t -88.47 108.81 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-O 123.765 1.745 . . . . 0.0 108.076 -175.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.3 tp -91.0 -31.23 16.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 109.156 -3.656 . . . . 0.0 111.423 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -152.78 157.98 41.6 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 123.167 1.46 . . . . 0.0 110.859 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -172.97 113.72 0.25 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 110.344 -3.117 . . . . 0.0 105.342 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -166.03 31.22 0.05 OUTLIER 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.318 -1.31 . . . . 0.0 112.409 -177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.1 m -154.05 -84.2 0.07 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.099 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.56 133.76 35.83 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.589 -1.642 . . . . 0.0 112.31 -176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -101.61 51.87 0.83 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 111.673 -2.512 . . . . 0.0 104.632 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -164.77 -23.23 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 110.586 -3.007 . . . . 0.0 109.892 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.41 ' CE2' ' HB3' ' B' ' 8' ' ' ARG . 73.5 m95 -137.54 125.83 23.23 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-O 122.334 1.064 . . . . 0.0 111.314 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.506 ' OH ' ' SD ' ' A' ' 55' ' ' MET . 22.2 m-85 -105.01 143.72 32.8 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 111.946 -2.388 . . . . 0.0 109.015 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -103.24 91.31 4.03 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.71 -171.22 1.85 Allowed 'General case' 0 C--N 1.357 0.933 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.085 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -131.51 137.47 48.55 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 125.027 1.454 . . . . 0.0 112.201 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.623 HD11 HD11 ' A' ' 25' ' ' LEU 0.274 12.4 mt -161.63 142.47 10.93 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 110.342 -3.117 . . . . 0.0 113.393 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.73 39.07 31.13 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 109.784 -3.371 . . . . 0.0 114.808 170.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.45 16.45 75.64 Favored Glycine 0 CA--C 1.537 1.434 0 CA-C-N 113.584 -1.644 . . . . 0.0 114.037 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -133.94 169.49 17.02 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.12 137.7 31.13 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 113.407 -1.724 . . . . 0.0 106.819 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -171.47 178.8 43.61 Favored Glycine 0 C--N 1.348 1.221 0 C-N-CA 118.986 -1.578 . . . . 0.0 112.135 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -79.85 140.87 36.62 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 111.572 -2.314 . . . . 0.0 111.367 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.5 pt -140.25 141.4 26.15 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 112.664 -2.062 . . . . 0.0 107.393 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -70.9 140.78 39.13 Favored 'Trans proline' 0 C--N 1.367 1.54 0 C-N-CA 121.417 1.411 . . . . 0.0 113.457 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -72.01 -20.88 61.64 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 116.32 -2.152 . . . . 0.0 112.286 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.452 HD22 ' HB2' ' B' ' 3' ' ' PRO . 1.7 p-10 -80.06 -13.78 59.04 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 119.53 -0.868 . . . . 0.0 113.277 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.466 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.5 m-85 -92.16 -2.14 56.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 118.061 -1.456 . . . . 0.0 112.583 177.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.682 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -132.42 158.26 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 CA-C-O 121.975 0.893 . . . . 0.0 111.277 179.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -106.93 116.61 32.23 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 104.125 -2.546 . . . . 0.0 104.125 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.506 ' SD ' ' OH ' ' A' ' 37' ' ' TYR . 15.5 mtm -88.54 144.34 26.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 112.67 -2.059 . . . . 0.0 111.137 -176.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -153.28 83.7 4.52 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 111.477 -2.601 . . . . 0.0 105.14 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--N 1.367 1.528 0 C-N-CA 122.114 1.876 . . . . 0.0 113.965 -177.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.241 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 99.1 t -117.59 97.72 51.03 Favored Pre-proline 0 CA--C 1.543 0.703 0 O-C-N 125.437 1.71 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.8 151.78 38.61 Favored 'Trans proline' 0 CA--C 1.562 1.899 0 C-N-CA 121.407 1.404 . . . . 0.0 115.278 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.452 ' HB2' HD22 ' A' ' 51' ' ' ASN . 94.5 Cg_exo -50.0 162.07 0.84 Allowed 'Trans proline' 0 C--N 1.367 1.51 0 C-N-CA 125.223 3.949 . . . . 0.0 118.042 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.15 122.79 4.3 Favored 'Trans proline' 0 C--N 1.366 1.488 0 N-CA-C 105.943 -2.368 . . . . 0.0 105.943 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.466 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.9 t -69.07 139.46 90.33 Favored Pre-proline 0 CA--C 1.55 0.961 0 CA-C-N 111.773 -2.467 . . . . 0.0 112.243 -176.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.18 157.41 49.77 Favored 'Trans proline' 0 C--N 1.363 1.332 0 C-N-CA 121.068 1.179 . . . . 0.0 114.322 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -76.41 114.27 3.85 Favored 'Trans proline' 0 C--N 1.362 1.268 0 N-CA-C 107.4 -1.808 . . . . 0.0 107.4 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.515 HH21 ' CB ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -89.63 67.33 7.44 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 123.51 1.624 . . . . 0.0 113.509 -176.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -160.06 108.53 1.71 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 111.238 -2.71 . . . . 0.0 107.034 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 46.2 mmm-85 -84.05 -37.09 22.55 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 113.412 -1.722 . . . . 0.0 110.551 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.718 0 O-C-N 123.328 0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_