data_4gat_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 4gat _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' . . . . . 0.551 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.624 0 C3'-C2'-C1' 107.007 3.077 . . . . 1.89 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.432 3.29 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.435 H2'' " O5'" ' B' ' 104' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.631 3.539 . . . . 0.75 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . 0.435 " O5'" H2'' ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.908 0 O4'-C1'-N19 110.213 3.016 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.547 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.657 3.571 . . . . 0.47 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.547 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.925 3.906 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C1'-N19 111.264 4.33 . . . . 1.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.739 3.673 . . . . 0.46 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . 0.406 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.448 3.311 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.406 " O5'" H2'' ' B' ' 109' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.372 3.215 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . 0.41 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.536 3.42 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . 0.56 H2'' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.446 3.308 . . . . 1.51 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . 0.56 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.627 3.534 . . . . 2.32 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.435 " O5'" ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.406 3.258 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . 0.492 H2'' " O5'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.629 3.537 . . . . 1.7 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.492 " O5'" H2'' ' C' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.377 3.221 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.521 H2'' " O5'" ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.583 3.478 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.521 " O5'" H2'' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.74 3.675 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.467 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.773 3.717 . . . . 1.07 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.538 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.607 3.509 . . . . 0.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.543 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.598 4.748 . . . . 1.09 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 C3'-C2'-C1' 107.015 3.082 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DG' . . . . . 0.543 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.506 3.383 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.543 " O5'" H2'' ' C' ' 123' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.666 0 O4'-C1'-N19 110.547 3.434 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.45 3.313 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.469 0 O4'-C1'-N19 110.536 3.42 . . . . 1.85 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 107.276 -1.379 . . . . 14.35 107.276 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.6 ' N ' ' HZ2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -66.58 99.7 0.61 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 124.743 2.211 . . . . 14.43 111.862 -176.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -161.55 -15.73 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 100.965 -3.717 . . . . 11.39 100.965 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 5' ' ' GLU . . . 45.4 50.14 10.43 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 105.591 -3.003 . . . . 10.05 105.591 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 6' ' ' GLN . 9.8 mt-10 -152.96 75.13 1.07 Allowed 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 118.657 -0.687 . . . . 9.49 109.267 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' A' ' 5' ' ' GLU . 1.2 mp0 -44.05 -39.15 3.98 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 104.379 -2.452 . . . . 9.6 104.379 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.775 HD21 ' H ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -139.09 -41.42 0.47 Allowed 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 102.231 -3.248 . . . . 8.16 102.231 174.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.775 ' H ' HD21 ' A' ' 7' ' ' ASN . . . 161.13 -67.5 0.25 Allowed Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.414 -1.875 . . . . 4.5 108.414 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 10' ' ' THR . 19.1 Cg_endo -96.56 105.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 123.156 2.57 . . . . 3.0 113.861 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 9' ' ' PRO . 2.1 m -52.44 111.33 0.62 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 105.637 -1.986 . . . . 1.16 105.637 177.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.8 m -118.85 144.2 46.51 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 122.057 0.932 . . . . 1.33 112.566 -174.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.5 t -70.16 111.06 5.53 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.193 -1.04 . . . . 0.49 108.193 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.6 p -65.13 -7.41 12.3 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.438 -0.789 . . . . 1.25 110.009 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -102.08 -38.76 7.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.355 -0.841 . . . . 1.95 111.188 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.4 p -129.52 4.91 5.12 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.705 -1.247 . . . . 0.52 112.178 -177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 57.82 7.56 0.59 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.737 -1.227 . . . . 2.73 113.881 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -66.21 136.89 56.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.045 -1.659 . . . . 1.28 111.459 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -101.09 -14.08 17.93 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.402 -0.962 . . . . 3.1 108.402 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -104.57 121.24 43.1 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.464 -0.772 . . . . 1.27 110.11 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -164.98 145.42 6.03 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.378 -0.826 . . . . 1.06 108.892 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -80.11 -18.88 9.76 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.854 1.703 . . . . 0.4 111.955 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 tp -152.71 125.78 8.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.149 -0.969 . . . . 1.12 110.094 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -85.51 122.44 29.64 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.297 0.57 . . . . 0.49 110.116 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.499 ' NH1' ' OP2' ' B' ' 105' ' ' ' DG' . 27.6 mmt180 -106.9 177.22 4.92 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.063 -1.088 . . . . 0.82 108.063 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -144.45 159.82 42.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.042 -1.037 . . . . 4.32 109.775 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.8 t-20 -88.1 140.32 30.75 Favored Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.946 -0.761 . . . . 1.98 108.946 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.3 -11.93 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.45 1.434 . . . . 0.82 111.71 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 94.9 mt-10 -95.67 9.97 38.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.399 -0.813 . . . . 1.9 109.713 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.56 5.51 88.34 Favored Glycine 0 N--CA 1.493 2.461 0 O-C-N 121.224 -0.922 . . . . 0.58 111.666 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -86.81 135.0 36.1 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 120.562 -1.552 . . . . 2.68 108.612 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.59 141.64 42.35 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.915 1.744 . . . . 1.24 113.357 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -133.72 161.23 35.24 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 107.734 -1.21 . . . . 1.1 107.734 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.3 p -85.73 -145.46 0.11 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.39 -1.444 . . . . 0.46 108.393 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 17.8 p-10 -81.16 -62.14 1.75 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.819 -1.176 . . . . 2.24 112.067 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' H ' ' CG ' ' A' ' 34' ' ' ASN . . . -64.96 -41.86 95.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.218 -0.926 . . . . 1.07 113.309 -177.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.7 m -58.07 -54.15 50.19 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.274 -1.516 . . . . 0.41 110.179 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.26 -42.91 99.91 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.035 -1.226 . . . . 0.3 110.035 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 67.7 mt -69.98 -40.37 75.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.135 -1.214 . . . . 1.11 111.163 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CZ ' ' NE ' ' A' ' 47' ' ' ARG . 25.2 t80 -78.92 -51.28 9.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.917 -1.115 . . . . 1.03 111.975 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.94 -46.91 84.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.075 -1.016 . . . . 1.19 109.273 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.02 -46.32 89.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.203 -0.936 . . . . 2.74 110.104 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.95 -36.78 75.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.284 -0.885 . . . . 1.22 111.912 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.648 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 71.3 m80 -93.63 -36.31 12.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.626 -1.296 . . . . 0.69 111.168 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.74 19.98 71.81 Favored Glycine 0 N--CA 1.494 2.541 0 O-C-N 120.472 -1.392 . . . . 0.6 112.367 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.0 m -139.72 150.21 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.711 -1.464 . . . . 1.37 109.536 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -49.0 161.58 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.217 -0.927 . . . . 1.78 108.802 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.688 ' NE ' ' CZ ' ' A' ' 39' ' ' PHE . 11.4 ttm-85 -153.64 129.08 5.06 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.769 -1.207 . . . . 6.96 111.646 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 50' ' ' SER . 76.2 Cg_exo -47.83 98.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.157 0 C-N-CA 120.799 0.999 . . . . 2.27 109.703 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ARG . 86.9 mt -57.03 -7.06 0.42 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.431 -0.952 . . . . 1.34 108.431 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 48' ' ' PRO . 5.1 p -61.82 -11.5 12.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.682 -0.636 . . . . 2.05 110.682 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.618 ' CD1' HH11 ' A' ' 47' ' ' ARG . 69.8 mt -76.7 -15.06 59.89 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 107.088 -1.449 . . . . 1.55 107.088 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -54.57 151.46 7.96 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.502 -0.772 . . . . 3.33 110.719 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.34 148.48 34.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.508 -0.745 . . . . 1.33 109.383 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -90.01 -2.37 58.12 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.698 -1.223 . . . . 1.54 107.698 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.0 t -111.0 128.97 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.234 -1.025 . . . . 1.8 108.234 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.8 mt -119.53 129.99 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.464 -0.939 . . . . 1.19 108.464 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -69.35 124.36 23.65 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.595 -0.891 . . . . 2.99 108.595 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.97 127.06 32.15 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.025 -1.472 . . . . 2.59 107.025 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -98.52 169.25 9.65 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.007 -1.109 . . . . 3.84 108.007 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.702 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -74.88 -155.51 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 105.919 -1.882 . . . . 3.01 105.919 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.671 ' C ' ' H ' ' A' ' 63' ' ' SER . 34.3 mtm180 -146.11 130.27 17.48 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.527 -1.657 . . . . 4.12 106.527 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -72.59 24.98 0.05 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.728 -1.212 . . . . 4.19 107.728 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.671 ' H ' ' C ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -80.89 174.61 11.45 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.346 1.07 . . . . 4.45 109.033 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' N ' ' HG ' ' A' ' 63' ' ' SER . . . 179.62 -90.78 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 104.93 -2.248 . . . . 6.32 104.93 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -179.99 -72.18 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.673 -1.973 . . . . 8.47 105.673 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.433 0 CA-C-O 117.742 -1.123 . . . . 9.86 108.222 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.838 HO5' ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.624 0 C3'-C2'-C1' 107.007 3.077 . . . . 1.6799999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.432 3.29 . . . . 1.3100000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.427 H2'' " O5'" ' B' ' 104' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.631 3.539 . . . . 0.75 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . 0.427 " O5'" H2'' ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.908 0 O4'-C1'-N19 110.213 3.016 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.546 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.657 3.571 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.925 3.906 . . . . 0.56000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C1'-N19 111.264 4.33 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.739 3.673 . . . . 0.46000000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . 0.401 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.448 3.311 . . . . 0.56000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.401 " O5'" H2'' ' B' ' 109' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.372 3.215 . . . . 0.67000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . 0.403 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.536 3.42 . . . . 0.94999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . 0.555 H2'' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.446 3.308 . . . . 1.51 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.627 3.534 . . . . 2.1499999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.5 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.406 3.258 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . 0.487 H2'' " O5'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.629 3.537 . . . . 1.6899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.487 " O5'" H2'' ' C' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.377 3.221 . . . . 1.0900000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.583 3.478 . . . . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.517 " O5'" H2'' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.74 3.675 . . . . 0.56000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.46 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.773 3.717 . . . . 0.40999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.538 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.607 3.509 . . . . 0.33000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.598 4.748 . . . . 0.37 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.541 " O5'" H2'' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 C3'-C2'-C1' 107.015 3.082 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DG' . . . . . 0.538 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.506 3.383 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' C' ' 123' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.666 0 O4'-C1'-N19 110.547 3.434 . . . . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.45 3.313 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.469 0 O4'-C1'-N19 110.536 3.42 . . . . 1.51 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 107.276 -1.379 . . . . 13.98 107.276 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.641 ' HZ2' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -66.58 99.7 0.61 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 124.743 2.211 . . . . 14.19 111.862 -176.584 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.402 ' H ' ' H ' ' A' ' 4' ' ' GLY . 22.4 m120 -161.55 -15.73 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 100.965 -3.717 . . . . 11.06 100.965 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 5' ' ' GLU . . . 45.4 50.14 10.43 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 105.591 -3.003 . . . . 9.7599999999999998 105.591 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 6' ' ' GLN . 9.8 mt-10 -152.96 75.13 1.07 Allowed 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 118.657 -0.687 . . . . 9.4900000000000002 109.267 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' A' ' 5' ' ' GLU . 1.2 mp0 -44.05 -39.15 3.98 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 104.379 -2.452 . . . . 9.1799999999999997 104.379 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' N ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -139.09 -41.42 0.47 Allowed 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 102.231 -3.248 . . . . 7.6600000000000001 102.231 174.521 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 161.13 -67.5 0.25 Allowed Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.414 -1.875 . . . . 4.2000000000000002 108.414 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 10' ' ' THR . 19.1 Cg_endo -96.56 105.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 123.156 2.57 . . . . 2.3500000000000001 113.861 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 9' ' ' PRO . 2.1 m -52.44 111.33 0.62 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 105.637 -1.986 . . . . 0.87 105.637 177.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.8 m -118.85 144.2 46.51 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 122.057 0.932 . . . . 0.68000000000000005 112.566 -174.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.5 t -70.16 111.06 5.53 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.193 -1.04 . . . . 0.47999999999999998 108.193 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.6 p -65.13 -7.41 12.3 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.438 -0.789 . . . . 0.60999999999999999 110.009 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -102.08 -38.76 7.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.355 -0.841 . . . . 1.2 111.188 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.4 p -129.52 4.91 5.12 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.705 -1.247 . . . . 0.52000000000000002 112.178 -177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 57.82 7.56 0.59 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.737 -1.227 . . . . 2.1899999999999999 113.881 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -66.21 136.89 56.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.045 -1.659 . . . . 0.71999999999999997 111.459 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -101.09 -14.08 17.93 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.402 -0.962 . . . . 2.6099999999999999 108.402 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -104.57 121.24 43.1 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.464 -0.772 . . . . 0.59999999999999998 110.11 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -164.98 145.42 6.03 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.378 -0.826 . . . . 0.40999999999999998 108.892 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -80.11 -18.88 9.76 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.854 1.703 . . . . 0.39000000000000001 111.955 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.523 HD23 ' NH2' ' A' ' 24' ' ' ARG . 24.9 tp -152.71 125.78 8.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.149 -0.969 . . . . 0.39000000000000001 110.094 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -85.51 122.44 29.64 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.297 0.57 . . . . 0.45000000000000001 110.116 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.523 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.6 mmt180 -106.9 177.22 4.92 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.063 -1.088 . . . . 0.55000000000000004 108.063 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -144.45 159.82 42.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.042 -1.037 . . . . 3.73 109.775 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.8 t-20 -88.1 140.32 30.75 Favored Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.946 -0.761 . . . . 1.21 108.946 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.3 -11.93 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.45 1.434 . . . . 0.66000000000000003 111.71 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 94.9 mt-10 -95.67 9.97 38.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.399 -0.813 . . . . 1.8999999999999999 109.713 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.56 5.51 88.34 Favored Glycine 0 N--CA 1.493 2.461 0 O-C-N 121.224 -0.922 . . . . 0.57999999999999996 111.666 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -86.81 135.0 36.1 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 120.562 -1.552 . . . . 2.1299999999999999 108.612 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.59 141.64 42.35 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.915 1.744 . . . . 0.80000000000000004 113.357 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -133.72 161.23 35.24 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 107.734 -1.21 . . . . 0.35999999999999999 107.734 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.3 p -85.73 -145.46 0.11 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.39 -1.444 . . . . 0.46000000000000002 108.393 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 17.8 p-10 -81.16 -62.14 1.75 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.819 -1.176 . . . . 1.8 112.067 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.86 95.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.218 -0.926 . . . . 0.31 113.309 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.7 m -58.07 -54.15 50.19 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.274 -1.516 . . . . 0.35999999999999999 110.179 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.26 -42.91 99.91 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.035 -1.226 . . . . 0.28999999999999998 110.035 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 67.7 mt -69.98 -40.37 75.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.135 -1.214 . . . . 0.33000000000000002 111.163 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CZ ' ' NE ' ' A' ' 47' ' ' ARG . 25.2 t80 -78.92 -51.28 9.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.917 -1.115 . . . . 0.88 111.975 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.94 -46.91 84.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.075 -1.016 . . . . 0.52000000000000002 109.273 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.02 -46.32 89.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.203 -0.936 . . . . 2.21 110.104 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.95 -36.78 75.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.284 -0.885 . . . . 0.46999999999999997 111.912 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.648 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 71.3 m80 -93.63 -36.31 12.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.626 -1.296 . . . . 0.62 111.168 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.74 19.98 71.81 Favored Glycine 0 N--CA 1.494 2.541 0 O-C-N 120.472 -1.392 . . . . 0.59999999999999998 112.367 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.0 m -139.72 150.21 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.711 -1.464 . . . . 0.79000000000000004 109.536 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -49.0 161.58 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.217 -0.927 . . . . 1.1599999999999999 108.802 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.688 ' NE ' ' CZ ' ' A' ' 39' ' ' PHE . 11.4 ttm-85 -153.64 129.08 5.06 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.769 -1.207 . . . . 6.2199999999999998 111.646 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 50' ' ' SER . 76.2 Cg_exo -47.83 98.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.157 0 C-N-CA 120.799 0.999 . . . . 1.8600000000000001 109.703 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ARG . 86.9 mt -57.03 -7.06 0.42 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.431 -0.952 . . . . 0.73999999999999999 108.431 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 48' ' ' PRO . 5.1 p -61.82 -11.5 12.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.682 -0.636 . . . . 1.5600000000000001 110.682 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.636 ' CD1' HH11 ' A' ' 47' ' ' ARG . 69.8 mt -76.7 -15.06 59.89 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 107.088 -1.449 . . . . 1.0 107.088 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -54.57 151.46 7.96 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.502 -0.772 . . . . 2.8799999999999999 110.719 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.34 148.48 34.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.508 -0.745 . . . . 0.93999999999999995 109.383 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -90.01 -2.37 58.12 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.698 -1.223 . . . . 1.54 107.698 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.0 t -111.0 128.97 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.234 -1.025 . . . . 1.25 108.234 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.8 mt -119.53 129.99 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.464 -0.939 . . . . 0.52000000000000002 108.464 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -69.35 124.36 23.65 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.595 -0.891 . . . . 2.5 108.595 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.97 127.06 32.15 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.025 -1.472 . . . . 2.1000000000000001 107.025 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -98.52 169.25 9.65 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.007 -1.109 . . . . 3.3199999999999998 108.007 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.702 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -74.88 -155.51 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 105.919 -1.882 . . . . 2.4399999999999999 105.919 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.655 ' C ' ' H ' ' A' ' 63' ' ' SER . 34.3 mtm180 -146.11 130.27 17.48 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.527 -1.657 . . . . 3.5699999999999998 106.527 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -72.59 24.98 0.05 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.728 -1.212 . . . . 3.5 107.728 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.655 ' H ' ' C ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -80.89 174.61 11.45 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.346 1.07 . . . . 4.2000000000000002 109.033 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HB3' ' H ' ' A' ' 65' ' ' ASN . . . 179.62 -90.78 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 104.93 -2.248 . . . . 5.7699999999999996 104.93 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.401 ' H ' ' HB3' ' A' ' 64' ' ' ALA . 26.7 t30 -179.99 -72.18 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.673 -1.973 . . . . 7.9900000000000002 105.673 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.433 0 CA-C-O 117.742 -1.123 . . . . 9.7799999999999994 108.222 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.838 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.624 0 C3'-C2'-C1' 107.007 3.077 . . . . 1.68 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.432 3.29 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.427 H2'' " O5'" ' B' ' 104' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.681 0 O4'-C1'-N19 110.631 3.539 . . . . 0.75 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . 0.427 " O5'" H2'' ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.908 0 O4'-C1'-N19 110.213 3.016 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.546 H2'' " O5'" ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.657 3.571 . . . . 0.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.546 " O5'" H2'' ' B' ' 105' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.106 0 O4'-C1'-N19 110.925 3.906 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C1'-N19 111.264 4.33 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.739 3.673 . . . . 0.46 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . 0.401 H2'' " O5'" ' B' ' 110' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.448 3.311 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.401 " O5'" H2'' ' B' ' 109' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.645 0 O4'-C1'-N19 110.372 3.215 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . 0.403 H2'' " O5'" ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.536 3.42 . . . . 0.95 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . 0.555 H2'' " O5'" ' B' ' 113' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.446 3.308 . . . . 1.51 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . 0.555 " O5'" H2'' ' B' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.722 0 O4'-C1'-N19 110.627 3.534 . . . . 2.15 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.5 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.406 3.258 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . 0.487 H2'' " O5'" ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.629 3.537 . . . . 1.69 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.487 " O5'" H2'' ' C' ' 115' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.887 0 O4'-C1'-N19 110.377 3.221 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.517 H2'' " O5'" ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.583 3.478 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.517 " O5'" H2'' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.811 0 O4'-C1'-N19 110.74 3.675 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.46 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.773 3.717 . . . . 0.41 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.538 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.607 3.509 . . . . 0.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.38 1 O4'-C1'-N19 111.598 4.748 . . . . 0.37 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.541 " O5'" H2'' ' C' ' 121' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.601 0 C3'-C2'-C1' 107.015 3.082 . . . . 0.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DG' . . . . . 0.538 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.535 0 O4'-C1'-N19 110.506 3.383 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.538 " O5'" H2'' ' C' ' 123' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.666 0 O4'-C1'-N19 110.547 3.434 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.45 3.313 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.469 0 O4'-C1'-N19 110.536 3.42 . . . . 1.51 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 107.276 -1.379 . . . . 13.98 107.276 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.641 ' HZ2' ' HA ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -66.58 99.7 0.61 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 124.743 2.211 . . . . 14.19 111.862 -176.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.402 ' H ' ' H ' ' A' ' 4' ' ' GLY . 22.4 m120 -161.55 -15.73 0.04 OUTLIER 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 100.965 -3.717 . . . . 11.06 100.965 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 5' ' ' GLU . . . 45.4 50.14 10.43 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 105.591 -3.003 . . . . 9.76 105.591 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 6' ' ' GLN . 9.8 mt-10 -152.96 75.13 1.07 Allowed 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 118.657 -0.687 . . . . 9.49 109.267 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' A' ' 5' ' ' GLU . 1.2 mp0 -44.05 -39.15 3.98 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 104.379 -2.452 . . . . 9.18 104.379 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.79 HD22 ' H ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -139.09 -41.42 0.47 Allowed 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 102.231 -3.248 . . . . 7.66 102.231 174.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.79 ' H ' HD22 ' A' ' 7' ' ' ASN . . . 161.13 -67.5 0.25 Allowed Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.414 -1.875 . . . . 4.2 108.414 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 10' ' ' THR . 19.1 Cg_endo -96.56 105.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 123.156 2.57 . . . . 2.35 113.861 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 9' ' ' PRO . 2.1 m -52.44 111.33 0.62 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 105.637 -1.986 . . . . 0.87 105.637 177.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.8 m -118.85 144.2 46.51 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 122.057 0.932 . . . . 0.68 112.566 -174.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 7.5 t -70.16 111.06 5.53 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.193 -1.04 . . . . 0.48 108.193 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.6 p -65.13 -7.41 12.3 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.438 -0.789 . . . . 0.61 110.009 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -102.08 -38.76 7.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.355 -0.841 . . . . 1.2 111.188 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.4 p -129.52 4.91 5.12 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.705 -1.247 . . . . 0.52 112.178 -177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 57.82 7.56 0.59 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.737 -1.227 . . . . 2.19 113.881 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -66.21 136.89 56.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.045 -1.659 . . . . 0.72 111.459 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -101.09 -14.08 17.93 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.402 -0.962 . . . . 2.61 108.402 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.3 m -104.57 121.24 43.1 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.464 -0.772 . . . . 0.6 110.11 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -164.98 145.42 6.03 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.378 -0.826 . . . . 0.41 108.892 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -80.11 -18.88 9.76 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.854 1.703 . . . . 0.39 111.955 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.523 HD23 ' NH2' ' A' ' 24' ' ' ARG . 24.9 tp -152.71 125.78 8.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.149 -0.969 . . . . 0.39 110.094 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -85.51 122.44 29.64 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 121.297 0.57 . . . . 0.45 110.116 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.523 ' NH2' HD23 ' A' ' 22' ' ' LEU . 27.6 mmt180 -106.9 177.22 4.92 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 108.063 -1.088 . . . . 0.55 108.063 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -144.45 159.82 42.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.042 -1.037 . . . . 3.73 109.775 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 28' ' ' GLU . 16.8 t-20 -88.1 140.32 30.75 Favored Pre-proline 0 N--CA 1.493 1.676 0 N-CA-C 108.946 -0.761 . . . . 1.21 108.946 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.3 -11.93 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 121.45 1.434 . . . . 0.66 111.71 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' ASN . 94.9 mt-10 -95.67 9.97 38.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.399 -0.813 . . . . 1.9 109.713 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.56 5.51 88.34 Favored Glycine 0 N--CA 1.493 2.461 0 O-C-N 121.224 -0.922 . . . . 0.58 111.666 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -86.81 135.0 36.1 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 120.562 -1.552 . . . . 2.13 108.612 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.59 141.64 42.35 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.915 1.744 . . . . 0.8 113.357 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -133.72 161.23 35.24 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 107.734 -1.21 . . . . 0.36 107.734 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 31.3 p -85.73 -145.46 0.11 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.39 -1.444 . . . . 0.46 108.393 178.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 17.8 p-10 -81.16 -62.14 1.75 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.819 -1.176 . . . . 1.8 112.067 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.86 95.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.218 -0.926 . . . . 0.31 113.309 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.7 m -58.07 -54.15 50.19 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.274 -1.516 . . . . 0.36 110.179 -178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.26 -42.91 99.91 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.035 -1.226 . . . . 0.29 110.035 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 67.7 mt -69.98 -40.37 75.4 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.135 -1.214 . . . . 0.33 111.163 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CZ ' ' NE ' ' A' ' 47' ' ' ARG . 25.2 t80 -78.92 -51.28 9.88 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.917 -1.115 . . . . 0.88 111.975 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 tp -57.94 -46.91 84.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.075 -1.016 . . . . 0.52 109.273 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.02 -46.32 89.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.203 -0.936 . . . . 2.21 110.104 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.95 -36.78 75.55 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.284 -0.885 . . . . 0.47 111.912 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.648 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 71.3 m80 -93.63 -36.31 12.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.626 -1.296 . . . . 0.62 111.168 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.74 19.98 71.81 Favored Glycine 0 N--CA 1.494 2.541 0 O-C-N 120.472 -1.392 . . . . 0.6 112.367 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.0 m -139.72 150.21 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.711 -1.464 . . . . 0.79 109.536 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -49.0 161.58 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.217 -0.927 . . . . 1.16 108.802 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.688 ' NE ' ' CZ ' ' A' ' 39' ' ' PHE . 11.4 ttm-85 -153.64 129.08 5.06 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 120.769 -1.207 . . . . 6.22 111.646 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 50' ' ' SER . 76.2 Cg_exo -47.83 98.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.157 0 C-N-CA 120.799 0.999 . . . . 1.86 109.703 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ARG . 86.9 mt -57.03 -7.06 0.42 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.431 -0.952 . . . . 0.74 108.431 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 48' ' ' PRO . 5.1 p -61.82 -11.5 12.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.682 -0.636 . . . . 1.56 110.682 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.636 ' CD1' HH11 ' A' ' 47' ' ' ARG . 69.8 mt -76.7 -15.06 59.89 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 107.088 -1.449 . . . . 1.0 107.088 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -54.57 151.46 7.96 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.502 -0.772 . . . . 2.88 110.719 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.34 148.48 34.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.508 -0.745 . . . . 0.94 109.383 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -90.01 -2.37 58.12 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.698 -1.223 . . . . 1.54 107.698 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.0 t -111.0 128.97 67.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 N-CA-C 108.234 -1.025 . . . . 1.25 108.234 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.8 mt -119.53 129.99 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.464 -0.939 . . . . 0.52 108.464 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -69.35 124.36 23.65 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.595 -0.891 . . . . 2.5 108.595 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.97 127.06 32.15 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 107.025 -1.472 . . . . 2.1 107.025 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -98.52 169.25 9.65 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.007 -1.109 . . . . 3.32 108.007 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.702 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -74.88 -155.51 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 105.919 -1.882 . . . . 2.44 105.919 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.655 ' C ' ' H ' ' A' ' 63' ' ' SER . 34.3 mtm180 -146.11 130.27 17.48 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 106.527 -1.657 . . . . 3.57 106.527 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -72.59 24.98 0.05 Allowed 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.728 -1.212 . . . . 3.5 107.728 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.655 ' H ' ' C ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -80.89 174.61 11.45 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.346 1.07 . . . . 4.2 109.033 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HB3' ' H ' ' A' ' 65' ' ' ASN . . . 179.62 -90.78 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 104.93 -2.248 . . . . 5.77 104.93 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.401 ' H ' ' HB3' ' A' ' 64' ' ' ALA . 26.7 t30 -179.99 -72.18 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.673 -1.973 . . . . 7.99 105.673 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.433 0 CA-C-O 117.742 -1.123 . . . . 9.78 108.222 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_