data_6gat_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 6gat _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' B' B ' 101' ' ' ' DC' . . . . . 0.606 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.515 0 C3'-C2'-C1' 107.063 3.116 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.44 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.511 3.389 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.44 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.956 3.944 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.432 H2'' " O5'" ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.829 0 O4'-C1'-N19 110.362 3.203 . . . . 1.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.432 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.889 3.861 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.285 0 O4'-C1'-N19 110.888 3.86 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.417 " O5'" H2'' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.582 1 O4'-C1'-N19 111.365 4.456 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.696 3.621 . . . . 0.49 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.321 3.152 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.427 3.283 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . 0.44 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.46 3.325 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.518 H2'' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.495 3.368 . . . . 1.34 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.518 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 0 O4'-C1'-N19 110.548 3.434 . . . . 2.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.547 3.434 . . . . 1.93 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . 0.413 H2'' " O5'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.752 3.69 . . . . 1.53 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.413 " O5'" H2'' ' C' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.401 3.251 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.843 3.804 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.507 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.277 0 O4'-C1'-N19 110.429 3.286 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.507 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.834 3.792 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.523 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.886 3.857 . . . . 0.29 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.523 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.546 4.683 . . . . 1.11 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.455 " O5'" H2'' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.288 3.11 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.578 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.683 3.604 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.578 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.801 3.751 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.409 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.526 3.408 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.562 0 O4'-C1'-N19 110.549 3.437 . . . . 1.5 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.826 ' O ' ' N ' ' A' ' 3' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 108.64 -0.874 . . . . 15.78 108.64 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.553 ' NZ ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 49.97 -38.12 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 118.772 -0.632 . . . . 15.67 110.077 -177.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.826 ' N ' ' O ' ' A' ' 1' ' ' MET . 62.2 t30 66.19 136.57 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 102.922 -2.992 . . . . 13.05 102.922 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.663 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . -44.48 92.19 0.01 OUTLIER Glycine 1 N--CA 1.519 4.182 0 N-CA-C 104.722 -3.351 . . . . 11.34 104.722 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.735 ' N ' ' O ' ' A' ' 3' ' ' ASN . 2.0 tt0 52.19 -94.18 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 101.046 -3.687 . . . . 11.08 101.046 -169.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 4' ' ' GLY . 62.9 mm-40 -124.41 73.83 1.28 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 101.941 -3.355 . . . . 9.93 101.941 170.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.53 ' C ' ' O ' ' A' ' 6' ' ' GLN . 0.7 OUTLIER -14.51 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 121.8 0.81 . . . . 7.75 111.229 -174.358 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.592 ' H ' ' CD ' ' A' ' 9' ' ' PRO . . . 97.06 51.21 1.65 Allowed Glycine 0 C--N 1.299 -1.519 0 N-CA-C 103.2 -3.96 . . . . 4.6 103.2 -174.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.611 ' O ' ' N ' ' A' ' 11' ' ' THR . 46.7 Cg_exo -20.85 110.91 0.02 OUTLIER 'Trans proline' 0 C--O 1.212 -0.791 0 C-N-CA 123.968 3.112 . . . . 3.45 110.597 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -52.32 95.34 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.532 -2.025 . . . . 1.31 105.532 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.611 ' N ' ' O ' ' A' ' 9' ' ' PRO . 52.7 m -122.3 120.38 33.89 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.393 -1.336 . . . . 1.22 107.393 -176.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 14' ' ' ASN . 5.6 t -49.71 110.48 0.39 Allowed 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 119.686 -0.805 . . . . 0.43 110.036 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 p -64.7 -6.07 7.08 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.868 -1.16 . . . . 1.13 107.868 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 12' ' ' CYS . 3.5 m120 -102.99 -37.45 7.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.508 -0.745 . . . . 2.07 110.987 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.523 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.9 p -137.96 16.05 2.85 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.691 -1.255 . . . . 0.45 111.55 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 59.36 0.05 0.19 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.16 -0.963 . . . . 3.17 113.089 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 46.5 m -54.34 131.14 41.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.047 -1.658 . . . . 1.08 109.949 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -106.77 -24.41 12.09 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.56 -0.904 . . . . 3.36 108.56 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -100.54 127.55 46.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.647 -0.658 . . . . 1.12 109.421 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -165.81 144.8 5.11 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.849 -1.157 . . . . 1.12 110.53 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' HD21 ' A' ' 34' ' ' ASN . 32.7 Cg_endo -63.48 -20.99 70.85 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.562 2.175 . . . . 0.51 111.822 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.5 p -168.4 148.9 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.151 -0.968 . . . . 1.15 110.208 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -98.27 136.36 38.57 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.384 0.611 . . . . 0.47 110.624 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -105.34 175.76 5.39 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.369 -0.975 . . . . 0.45 108.369 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -140.43 165.66 26.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.409 -0.807 . . . . 3.93 108.936 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.599 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.9 t30 -127.25 145.57 54.79 Favored Pre-proline 0 N--CA 1.495 1.78 0 N-CA-C 107.843 -1.169 . . . . 1.93 107.843 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -44.78 -1.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.108 1.872 . . . . 1.02 113.903 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.7 mt-10 -100.19 -17.14 17.52 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.01 -1.056 . . . . 2.19 108.583 178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.25 13.17 56.46 Favored Glycine 0 N--CA 1.494 2.566 0 O-C-N 121.529 -0.732 . . . . 0.58 111.519 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -86.04 138.54 34.82 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 120.727 -1.455 . . . . 2.44 108.958 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.58 138.51 26.89 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.629 1.553 . . . . 1.14 111.4 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.4 mt -139.55 148.9 43.23 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.387 -0.82 . . . . 1.15 110.169 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.4 p -72.83 176.32 5.74 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.587 -1.264 . . . . 0.32 107.587 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 7.2 p30 -69.96 -39.64 75.9 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.606 -1.309 . . . . 2.46 110.846 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -59.95 -54.44 46.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.88 -1.137 . . . . 1.06 111.294 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -62.04 -44.15 97.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.605 -1.31 . . . . 0.32 109.814 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.99 96.58 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 108.822 -1.711 . . . . 0.33 108.822 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.09 -55.37 9.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.409 -1.054 . . . . 1.17 110.454 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 35.6 t80 -67.12 -49.31 65.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.265 -0.897 . . . . 0.76 112.002 -178.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 tp -59.92 -49.05 79.22 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.95 -1.094 . . . . 1.17 109.903 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.61 -43.92 97.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.13 -0.981 . . . . 2.72 110.209 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.2 -39.08 75.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.095 -1.003 . . . . 1.3 111.257 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.644 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.8 m80 -88.56 -39.71 13.93 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.83 -1.169 . . . . 0.72 111.396 -177.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.66 13.66 80.22 Favored Glycine 0 N--CA 1.493 2.5 0 O-C-N 120.412 -1.43 . . . . 0.6 112.329 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.04 151.38 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 CA-C-N 119.291 1.546 . . . . 1.27 109.992 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 m -48.79 156.17 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.477 -0.764 . . . . 1.59 109.473 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.501 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 0.1 OUTLIER -142.44 135.67 14.13 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.429 -0.795 . . . . 6.13 110.442 -177.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 50' ' ' SER . 75.6 Cg_exo -49.05 96.35 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.236 0 C-N-CA 121.268 1.312 . . . . 1.49 110.179 175.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.8 mt -58.55 -10.02 1.99 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.164 -0.96 . . . . 1.15 109.178 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 48' ' ' PRO . 6.2 t -60.38 -10.97 5.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.535 -0.728 . . . . 1.92 110.375 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CD1' ' NE ' ' A' ' 47' ' ' ARG . 19.4 mt -76.1 -39.55 54.98 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.963 -1.085 . . . . 1.24 108.957 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.549 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 6.4 tmtt? -43.93 155.33 0.08 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.576 0.703 . . . . 2.76 110.305 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.61 165.65 28.9 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.75 -0.833 . . . . 1.17 108.75 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.549 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 85.3 m-20 -91.01 0.09 57.62 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.021 -1.05 . . . . 1.25 108.536 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.3 t -115.18 133.85 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 108.263 -1.014 . . . . 1.78 108.263 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.4 mt -109.66 131.02 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 108.504 -0.925 . . . . 1.18 108.504 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -76.59 123.07 25.54 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.418 -0.801 . . . . 2.35 109.18 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -81.74 122.18 27.34 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.452 -0.78 . . . . 3.02 109.618 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -93.49 176.62 6.31 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.635 -1.246 . . . . 4.1 107.635 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.538 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -73.38 -168.0 0.49 Allowed 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.298 -1.371 . . . . 2.63 107.298 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -147.82 135.46 20.87 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.524 -1.287 . . . . 3.91 107.524 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 64' ' ' ALA . 4.8 t-20 -73.79 91.92 1.98 Allowed 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.781 -1.563 . . . . 4.1 106.781 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 64' ' ' ALA . 37.9 t -55.08 87.04 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.271 -1.011 . . . . 4.54 108.271 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 62' ' ' ASN . . . -61.31 -138.9 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.089 -1.078 . . . . 5.05 108.089 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.553 ' OD1' ' N ' ' A' ' 66' ' ' SER . 1.1 p30 68.63 -160.01 0.19 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.521 -0.737 . . . . 8.07 110.189 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.553 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.196 -0.907 . . . . 8.41 108.758 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.737 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.515 0 C3'-C2'-C1' 107.063 3.116 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.432 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.511 3.389 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.432 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.956 3.944 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.426 H2'' " O5'" ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.829 0 O4'-C1'-N19 110.362 3.203 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.426 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.889 3.861 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.285 0 O4'-C1'-N19 110.888 3.86 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.413 " O5'" H2'' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.582 1 O4'-C1'-N19 111.365 4.456 . . . . 0.49 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.696 3.621 . . . . 0.49 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.321 3.152 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.427 3.283 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . 0.433 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.46 3.325 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.514 H2'' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.495 3.368 . . . . 1.34 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.514 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 0 O4'-C1'-N19 110.548 3.434 . . . . 1.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.547 3.434 . . . . 1.73 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . 0.407 H2'' " O5'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.752 3.69 . . . . 1.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.407 " O5'" H2'' ' C' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.401 3.251 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.843 3.804 . . . . 0.89 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.511 ' P ' HH12 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.277 0 O4'-C1'-N19 110.429 3.286 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.502 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.834 3.792 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.526 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.886 3.857 . . . . 0.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.526 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.546 4.683 . . . . 0.35 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.454 " O5'" H2'' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.288 3.11 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.578 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.683 3.604 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.578 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.801 3.751 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.403 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.526 3.408 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.562 0 O4'-C1'-N19 110.549 3.437 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.826 ' O ' ' N ' ' A' ' 3' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 108.64 -0.874 . . . . 15.57 108.64 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 49.97 -38.12 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 118.772 -0.632 . . . . 15.42 110.077 -177.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.826 ' N ' ' O ' ' A' ' 1' ' ' MET . 62.2 t30 66.19 136.57 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 102.922 -2.992 . . . . 12.66 102.922 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.663 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . -44.48 92.19 0.01 OUTLIER Glycine 1 N--CA 1.519 4.182 0 N-CA-C 104.722 -3.351 . . . . 11.1 104.722 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.735 ' N ' ' O ' ' A' ' 3' ' ' ASN . 2.0 tt0 52.19 -94.18 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 101.046 -3.687 . . . . 11.08 101.046 -169.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 4' ' ' GLY . 62.9 mm-40 -124.41 73.83 1.28 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 101.941 -3.355 . . . . 9.46 101.941 170.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.53 ' C ' ' O ' ' A' ' 6' ' ' GLN . 54.3 t-20 -14.51 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 121.8 0.81 . . . . 7.33 111.229 -174.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.582 ' H ' ' CD ' ' A' ' 9' ' ' PRO . . . 97.06 51.21 1.65 Allowed Glycine 0 C--N 1.299 -1.519 0 N-CA-C 103.2 -3.96 . . . . 4.37 103.2 -174.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.611 ' O ' ' N ' ' A' ' 11' ' ' THR . 46.7 Cg_exo -20.85 110.91 0.02 OUTLIER 'Trans proline' 0 C--O 1.212 -0.791 0 C-N-CA 123.968 3.112 . . . . 2.84 110.597 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -52.32 95.34 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.532 -2.025 . . . . 1.09 105.532 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.611 ' N ' ' O ' ' A' ' 9' ' ' PRO . 52.7 m -122.3 120.38 33.89 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.393 -1.336 . . . . 0.64 107.393 -176.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 t -49.71 110.48 0.39 Allowed 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 119.686 -0.805 . . . . 0.41 110.036 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 p -64.7 -6.07 7.08 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.868 -1.16 . . . . 0.48 107.868 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.626 ' ND2' HD22 ' A' ' 32' ' ' LEU . 59.1 m-20 -102.99 -37.45 7.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.508 -0.745 . . . . 1.26 110.987 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 p -137.96 16.05 2.85 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.691 -1.255 . . . . 0.45 111.55 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 59.36 0.05 0.19 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.16 -0.963 . . . . 2.51 113.089 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.5 m -54.34 131.14 41.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.047 -1.658 . . . . 0.4 109.949 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -106.77 -24.41 12.09 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.56 -0.904 . . . . 2.85 108.56 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -100.54 127.55 46.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.647 -0.658 . . . . 0.48 109.421 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -165.81 144.8 5.11 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.849 -1.157 . . . . 0.38 110.53 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' HD22 ' A' ' 34' ' ' ASN . 32.7 Cg_endo -63.48 -20.99 70.85 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.562 2.175 . . . . 0.36 111.822 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.5 p -168.4 148.9 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.151 -0.968 . . . . 0.47 110.208 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -98.27 136.36 38.57 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.384 0.611 . . . . 0.42 110.624 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -105.34 175.76 5.39 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.369 -0.975 . . . . 0.41 108.369 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -140.43 165.66 26.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.409 -0.807 . . . . 3.42 108.936 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.599 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.9 t30 -127.25 145.57 54.79 Favored Pre-proline 0 N--CA 1.495 1.78 0 N-CA-C 107.843 -1.169 . . . . 1.53 107.843 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -44.78 -1.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.108 1.872 . . . . 0.84 113.903 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.7 mt-10 -100.19 -17.14 17.52 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.01 -1.056 . . . . 2.19 108.583 178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.25 13.17 56.46 Favored Glycine 0 N--CA 1.494 2.566 0 O-C-N 121.529 -0.732 . . . . 0.55 111.519 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -86.04 138.54 34.82 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 120.727 -1.455 . . . . 2.09 108.958 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.58 138.51 26.89 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.629 1.553 . . . . 0.72 111.4 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.626 HD22 ' ND2' ' A' ' 14' ' ' ASN . 83.4 mt -139.55 148.9 43.23 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.387 -0.82 . . . . 0.39 110.169 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.4 p -72.83 176.32 5.74 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.587 -1.264 . . . . 0.32 107.587 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 7.2 p30 -69.96 -39.64 75.9 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.606 -1.309 . . . . 1.88 110.846 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -59.95 -54.44 46.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.88 -1.137 . . . . 0.28 111.294 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -62.04 -44.15 97.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.605 -1.31 . . . . 0.32 109.814 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.99 96.58 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 108.822 -1.711 . . . . 0.31 108.822 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.09 -55.37 9.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.409 -1.054 . . . . 0.43 110.454 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 35.6 t80 -67.12 -49.31 65.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.265 -0.897 . . . . 0.66 112.002 -178.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 tp -59.92 -49.05 79.22 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.95 -1.094 . . . . 0.48 109.903 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.61 -43.92 97.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.13 -0.981 . . . . 2.26 110.209 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.2 -39.08 75.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.095 -1.003 . . . . 0.55 111.257 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.644 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.8 m80 -88.56 -39.71 13.93 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.83 -1.169 . . . . 0.68 111.396 -177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.66 13.66 80.22 Favored Glycine 0 N--CA 1.493 2.5 0 O-C-N 120.412 -1.43 . . . . 0.6 112.329 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.04 151.38 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 CA-C-N 119.291 1.546 . . . . 0.7 109.992 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 m -48.79 156.17 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.477 -0.764 . . . . 1.02 109.473 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.511 HH12 ' P ' ' C' ' 118' ' ' ' DC' . 0.1 OUTLIER -142.44 135.67 14.13 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.429 -0.795 . . . . 5.44 110.442 -177.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -49.05 96.35 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.236 0 C-N-CA 121.268 1.312 . . . . 1.24 110.179 175.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 14' ' ' ASN . 76.8 mt -58.55 -10.02 1.99 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.164 -0.96 . . . . 0.53 109.178 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -60.38 -10.97 5.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.535 -0.728 . . . . 1.49 110.375 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CD1' ' NE ' ' A' ' 47' ' ' ARG . 19.4 mt -76.1 -39.55 54.98 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.963 -1.085 . . . . 0.65 108.957 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.549 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 6.4 tmtt? -43.93 155.33 0.08 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.576 0.703 . . . . 2.28 110.305 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.61 165.65 28.9 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.75 -0.833 . . . . 0.55 108.75 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.549 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 85.3 m-20 -91.01 0.09 57.62 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.021 -1.05 . . . . 1.25 108.536 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.3 t -115.18 133.85 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 108.263 -1.014 . . . . 1.19 108.263 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.4 mt -109.66 131.02 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 108.504 -0.925 . . . . 0.46 108.504 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -76.59 123.07 25.54 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.418 -0.801 . . . . 1.83 109.18 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -81.74 122.18 27.34 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.452 -0.78 . . . . 2.53 109.618 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -93.49 176.62 6.31 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.635 -1.246 . . . . 3.56 107.635 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.538 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -73.38 -168.0 0.49 Allowed 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.298 -1.371 . . . . 2.22 107.298 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -147.82 135.46 20.87 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.524 -1.287 . . . . 3.35 107.524 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 64' ' ' ALA . 4.8 t-20 -73.79 91.92 1.98 Allowed 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.781 -1.563 . . . . 3.49 106.781 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 64' ' ' ALA . 37.9 t -55.08 87.04 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.271 -1.011 . . . . 4.17 108.271 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 62' ' ' ASN . . . -61.31 -138.9 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.089 -1.078 . . . . 5.05 108.089 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.553 ' OD1' ' N ' ' A' ' 66' ' ' SER . 1.1 p30 68.63 -160.01 0.19 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.521 -0.737 . . . . 7.52 110.189 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.553 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.196 -0.907 . . . . 8.41 108.758 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.737 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.515 0 C3'-C2'-C1' 107.063 3.116 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.432 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.511 3.389 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.432 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.956 3.944 . . . . 0.71 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.426 H2'' " O5'" ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.829 0 O4'-C1'-N19 110.362 3.203 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.426 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.889 3.861 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.521 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.285 0 O4'-C1'-N19 110.888 3.86 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.413 " O5'" H2'' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.582 1 O4'-C1'-N19 111.365 4.456 . . . . 0.49 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 0 O4'-C1'-N19 110.696 3.621 . . . . 0.49 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.321 3.152 . . . . 0.58 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 0 O4'-C1'-N19 110.427 3.283 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . 0.433 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.46 3.325 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.514 H2'' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.495 3.368 . . . . 1.34 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.514 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.629 0 O4'-C1'-N19 110.548 3.434 . . . . 1.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.547 3.434 . . . . 1.73 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . 0.407 H2'' " O5'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.752 3.69 . . . . 1.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.407 " O5'" H2'' ' C' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.401 3.251 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.539 0 O4'-C1'-N19 110.843 3.804 . . . . 0.89 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.511 ' P ' HH12 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.277 0 O4'-C1'-N19 110.429 3.286 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.502 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.834 3.792 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.526 H2'' " O5'" ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.886 3.857 . . . . 0.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.526 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.546 4.683 . . . . 0.35 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.454 " O5'" H2'' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.627 0 O4'-C1'-N19 110.288 3.11 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.578 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.683 3.604 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.578 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.93 0 O4'-C1'-N19 110.801 3.751 . . . . 0.64 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.403 " O5'" H2'' ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.634 0 O4'-C1'-N19 110.526 3.408 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.562 0 O4'-C1'-N19 110.549 3.437 . . . . 1.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.826 ' O ' ' N ' ' A' ' 3' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 N-CA-C 108.64 -0.874 . . . . 15.57 108.64 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 49.97 -38.12 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 118.772 -0.632 . . . . 15.42 110.077 -177.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.826 ' N ' ' O ' ' A' ' 1' ' ' MET . 62.2 t30 66.19 136.57 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 102.922 -2.992 . . . . 12.66 102.922 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.663 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . -44.48 92.19 0.01 OUTLIER Glycine 1 N--CA 1.519 4.182 0 N-CA-C 104.722 -3.351 . . . . 11.1 104.722 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.735 ' N ' ' O ' ' A' ' 3' ' ' ASN . 2.0 tt0 52.19 -94.18 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 101.046 -3.687 . . . . 11.08 101.046 -169.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.663 ' N ' ' O ' ' A' ' 4' ' ' GLY . 62.9 mm-40 -124.41 73.83 1.28 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 101.941 -3.355 . . . . 9.46 101.941 170.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.53 ' C ' ' O ' ' A' ' 6' ' ' GLN . 0.7 OUTLIER -14.51 93.06 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.668 0 CA-C-O 121.8 0.81 . . . . 7.33 111.229 -174.358 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.582 ' H ' ' CD ' ' A' ' 9' ' ' PRO . . . 97.06 51.21 1.65 Allowed Glycine 0 C--N 1.299 -1.519 0 N-CA-C 103.2 -3.96 . . . . 4.37 103.2 -174.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.611 ' O ' ' N ' ' A' ' 11' ' ' THR . 46.7 Cg_exo -20.85 110.91 0.02 OUTLIER 'Trans proline' 0 C--O 1.212 -0.791 0 C-N-CA 123.968 3.112 . . . . 2.84 110.597 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.5 m -52.32 95.34 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 105.532 -2.025 . . . . 1.09 105.532 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.611 ' N ' ' O ' ' A' ' 9' ' ' PRO . 52.7 m -122.3 120.38 33.89 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.393 -1.336 . . . . 0.64 107.393 -176.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 t -49.71 110.48 0.39 Allowed 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 119.686 -0.805 . . . . 0.41 110.036 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 p -64.7 -6.07 7.08 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.868 -1.16 . . . . 0.48 107.868 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.5 m120 -102.99 -37.45 7.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.508 -0.745 . . . . 1.26 110.987 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 p -137.96 16.05 2.85 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.691 -1.255 . . . . 0.45 111.55 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 59.36 0.05 0.19 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.16 -0.963 . . . . 2.51 113.089 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.5 m -54.34 131.14 41.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.047 -1.658 . . . . 0.4 109.949 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -106.77 -24.41 12.09 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.56 -0.904 . . . . 2.85 108.56 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.9 m -100.54 127.55 46.87 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.647 -0.658 . . . . 0.48 109.421 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -165.81 144.8 5.11 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 120.849 -1.157 . . . . 0.38 110.53 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' HD22 ' A' ' 34' ' ' ASN . 32.7 Cg_endo -63.48 -20.99 70.85 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.562 2.175 . . . . 0.36 111.822 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.5 p -168.4 148.9 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.151 -0.968 . . . . 0.47 110.208 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -98.27 136.36 38.57 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.384 0.611 . . . . 0.42 110.624 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -105.34 175.76 5.39 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.369 -0.975 . . . . 0.41 108.369 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -140.43 165.66 26.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.409 -0.807 . . . . 3.42 108.936 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.599 ' O ' ' N ' ' A' ' 28' ' ' GLU . 32.9 t30 -127.25 145.57 54.79 Favored Pre-proline 0 N--CA 1.495 1.78 0 N-CA-C 107.843 -1.169 . . . . 1.53 107.843 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -44.78 -1.23 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.108 1.872 . . . . 0.84 113.903 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.7 mt-10 -100.19 -17.14 17.52 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.01 -1.056 . . . . 2.19 108.583 178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.25 13.17 56.46 Favored Glycine 0 N--CA 1.494 2.566 0 O-C-N 121.529 -0.732 . . . . 0.55 111.519 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -86.04 138.54 34.82 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 120.727 -1.455 . . . . 2.09 108.958 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.58 138.51 26.89 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.629 1.553 . . . . 0.72 111.4 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' OD1' ' A' ' 14' ' ' ASN . 83.4 mt -139.55 148.9 43.23 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.387 -0.82 . . . . 0.39 110.169 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.4 p -72.83 176.32 5.74 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.587 -1.264 . . . . 0.32 107.587 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 7.2 p30 -69.96 -39.64 75.9 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 120.606 -1.309 . . . . 1.88 110.846 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -59.95 -54.44 46.02 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.88 -1.137 . . . . 0.28 111.294 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -62.04 -44.15 97.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.605 -1.31 . . . . 0.32 109.814 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.88 -44.99 96.58 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 108.822 -1.711 . . . . 0.31 108.822 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.09 -55.37 9.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.409 -1.054 . . . . 0.43 110.454 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.644 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 35.6 t80 -67.12 -49.31 65.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.265 -0.897 . . . . 0.66 112.002 -178.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 tp -59.92 -49.05 79.22 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.95 -1.094 . . . . 0.48 109.903 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.61 -43.92 97.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.13 -0.981 . . . . 2.26 110.209 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.8 mt -70.2 -39.08 75.41 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.095 -1.003 . . . . 0.55 111.257 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.644 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.8 m80 -88.56 -39.71 13.93 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.83 -1.169 . . . . 0.68 111.396 -177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.66 13.66 80.22 Favored Glycine 0 N--CA 1.493 2.5 0 O-C-N 120.412 -1.43 . . . . 0.6 112.329 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.04 151.38 21.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 CA-C-N 119.291 1.546 . . . . 0.7 109.992 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.3 m -48.79 156.17 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.477 -0.764 . . . . 1.02 109.473 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.511 HH12 ' P ' ' C' ' 118' ' ' ' DC' . 0.1 OUTLIER -142.44 135.67 14.13 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.429 -0.795 . . . . 5.44 110.442 -177.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -49.05 96.35 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.236 0 C-N-CA 121.268 1.312 . . . . 1.24 110.179 175.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 14' ' ' ASN . 76.8 mt -58.55 -10.02 1.99 Allowed 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.164 -0.96 . . . . 0.53 109.178 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -60.38 -10.97 5.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.535 -0.728 . . . . 1.49 110.375 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' CD1' ' NE ' ' A' ' 47' ' ' ARG . 19.4 mt -76.1 -39.55 54.98 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.963 -1.085 . . . . 0.65 108.957 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.549 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 6.4 tmtt? -43.93 155.33 0.08 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.576 0.703 . . . . 2.28 110.305 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.61 165.65 28.9 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.75 -0.833 . . . . 0.55 108.75 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.549 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 85.3 m-20 -91.01 0.09 57.62 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.021 -1.05 . . . . 1.25 108.536 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.3 t -115.18 133.85 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 N-CA-C 108.263 -1.014 . . . . 1.19 108.263 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.4 mt -109.66 131.02 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 N-CA-C 108.504 -0.925 . . . . 0.46 108.504 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -76.59 123.07 25.54 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.418 -0.801 . . . . 1.83 109.18 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -81.74 122.18 27.34 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.452 -0.78 . . . . 2.53 109.618 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -93.49 176.62 6.31 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.635 -1.246 . . . . 3.56 107.635 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.538 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -73.38 -168.0 0.49 Allowed 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.298 -1.371 . . . . 2.22 107.298 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -147.82 135.46 20.87 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 107.524 -1.287 . . . . 3.35 107.524 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 64' ' ' ALA . 4.8 t-20 -73.79 91.92 1.98 Allowed 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.781 -1.563 . . . . 3.49 106.781 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.491 ' O ' ' O ' ' A' ' 64' ' ' ALA . 37.9 t -55.08 87.04 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.271 -1.011 . . . . 4.17 108.271 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 62' ' ' ASN . . . -61.31 -138.9 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.089 -1.078 . . . . 5.05 108.089 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.553 ' OD1' ' N ' ' A' ' 66' ' ' SER . 1.1 p30 68.63 -160.01 0.19 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.521 -0.737 . . . . 7.52 110.189 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.553 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.196 -0.907 . . . . 8.41 108.758 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_