data_1nk3_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 1nk3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ' DT' . . . . . 0.552 ' O2 ' " O4'" ' A' ' 1' ' ' ' DT' . . . . . . . . 1 C2'--C1' 1.579 4.166 1 C4'-C3'-C2' 98.505 -4.695 . . . . 3.4300000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -2.972 1 P-O3'-C3' 130.49 8.992 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' DT' . . . . . 1.166 H2'' ' C8 ' ' A' ' 4' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.544 2.553 2 P-O5'-C5' 103.98 -10.575 . . . . 2.1400000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . 1.166 ' C8 ' H2'' ' A' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.18 0 P-O5'-C5' 114.85 -3.781 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . 0.529 ' C2 ' ' N3 ' ' A' ' 6' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.545 2.701 2 N19-C1'-C2' 122.347 5.092 . . . . 1.76 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' DC' . . . . . 0.624 " H2'" ' C8 ' ' A' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.553 2.266 2 N19-C1'-C2' 122.181 4.988 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' DA' . . . . . 0.792 H2'' " C5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.553 2.527 0 P-O5'-C5' 115.088 -3.633 . . . . 1.6399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . 0.792 " C5'" H2'' ' A' ' 7' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.491 2 P-O5'-C5' 108.571 -7.706 . . . . 2.04 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' DG' . . . . . 0.496 ' H8 ' H2'' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.535 1.678 1 P-O5'-C5' 113.188 -4.82 . . . . 1.6699999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' DT' . . . . . 0.475 ' C4 ' ' C6 ' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.546 2.8 1 P-O5'-C5' 113.698 -4.501 . . . . 2.0299999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' DG' . . . . . 0.475 ' C6 ' ' C4 ' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 N19-C1'-C2' 118.416 2.635 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 P-O5'-C5' 114.525 -3.984 . . . . 2.04 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.665 " H2'" ' H72' ' A' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.546 2.785 1 P-O5'-C5' 113.228 -4.795 . . . . 2.1400000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' DT' . . . . . 0.665 ' H72' " H2'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.857 1 N19-C1'-C2' 121.652 4.658 . . . . 2.1600000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' DG' . . . . . 1.001 " H2'" ' H71' ' A' ' 16' ' ' ' DT' . . . . . . . . 0 P--O3' 1.581 -2.161 1 O4'-C1'-N19 101.405 -7.993 . . . . 2.46 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ' DT' . . . . . 1.001 ' H71' " H2'" ' A' ' 15' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.908 3 O4'-C4'-C3' 100.164 -5.436 . . . . 2.46 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.951 1 O4'-C1'-N19 102.95 -6.062 . . . . 2.6699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.448 2 P-O3'-C3' 127.47 6.475 . . . . 2.5899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 P-O5'-C5' 112.898 -5.001 . . . . 2.6899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.859 1 P-O5'-C5' 112.735 -5.103 . . . . 2.1099999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' DC' . . . . . 0.742 " H3'" HH11 ' P' ' 153' ' ' ARG . . . . . . . . 0 C3'--C2' 1.542 2.442 3 P-O5'-C5' 112.878 -5.014 . . . . 1.4299999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.589 ' C6 ' H2'' ' B' ' 21' ' ' ' DC' . . . . . . . . 0 P--O3' 1.567 -3.33 3 P-O3'-C3' 128.337 7.198 . . . . 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.56 3.156 2 O4'-C1'-N19 111.679 4.849 . . . . 1.75 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . 0.996 H2'' H5'' ' B' ' 25' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.553 2.53 1 P-O5'-C5' 111.559 -5.838 . . . . 1.6499999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' DT' . . . . . 0.996 H5'' H2'' ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.75 1 P-O5'-C5' 111.519 -5.863 . . . . 2.04 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' DT' . . . . . 0.606 H2'' ' C8 ' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.552 2.435 2 P-O5'-C5' 112.443 -5.286 . . . . 1.47 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' DG' . . . . . 0.606 ' C8 ' H2'' ' B' ' 26' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.145 0 P-O5'-C5' 114.938 -3.726 . . . . 1.4099999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' DA' . . . . . 0.784 ' H8 ' H5'' ' B' ' 28' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.553 2.3 2 O4'-C1'-N19 112.135 5.418 . . . . 1.3 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' DC' . . . . . 0.935 H2'' ' N7 ' ' B' ' 30' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.141 1 N19-C1'-C2' 122.115 4.947 . . . . 1.4099999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' DA' . . . . . 0.935 ' N7 ' H2'' ' B' ' 29' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.542 2.368 2 O4'-C1'-N19 111.932 5.164 . . . . 1.71 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ' DC' . . . . . 0.472 H2'' " H5'" ' B' ' 32' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.547 2.909 1 P-O5'-C5' 113.993 -4.317 . . . . 2.3700000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ' DA' . . . . . 0.472 " H5'" H2'' ' B' ' 31' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.381 -3.867 1 P-O5'-C5' 113.087 -4.883 . . . . 2.7599999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 100' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 106.358 -1.719 . . . . 7.4000000000000004 106.358 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 101' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' P' ' 101' ' ' LYS . 7.3 tptm -77.52 146.73 36.2 Favored 'General case' 0 C--N 1.376 1.724 0 N-CA-C 103.786 -2.672 . . . . 5.1699999999999999 103.786 -176.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 102' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' P' ' 103' ' ' LYS . 17.8 mmt180 -92.36 51.16 1.72 Allowed 'General case' 0 C--N 1.387 2.199 0 CA-C-O 116.819 -1.562 . . . . 6.0700000000000003 113.145 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 103' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' P' ' 102' ' ' ARG . 21.9 ttpp 31.84 66.82 0.16 Allowed 'General case' 0 C--N 1.373 1.62 0 N-CA-C 106.701 -1.592 . . . . 2.25 106.701 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 104' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -68.99 155.41 40.4 Favored 'General case' 0 C--N 1.381 1.942 0 N-CA-C 101.521 -3.511 . . . . 3.9900000000000002 101.521 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 105' ' ' ARG . . . . . 0.729 ' HG2' ' H ' ' P' ' 106' ' ' VAL . 14.2 ttm180 -66.48 167.44 10.73 Favored 'General case' 0 C--N 1.378 1.844 0 N-CA-C 102.929 -2.989 . . . . 1.48 102.929 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 106' ' ' VAL . . . . . 0.729 ' H ' ' HG2' ' P' ' 105' ' ' ARG . 0.0 OUTLIER -144.11 132.26 18.16 Favored 'Isoleucine or valine' 0 C--N 1.369 1.427 0 N-CA-C 103.917 -2.623 . . . . 1.7 103.917 -179.541 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 107' ' ' LEU . . . . . 0.54 HD22 ' HD2' ' P' ' 105' ' ' ARG . 1.4 mm? -120.51 164.65 16.12 Favored 'General case' 0 C--N 1.382 1.984 1 N-CA-C 99.49 -4.263 . . . . 1.0900000000000001 99.49 -177.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 108' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -110.2 156.9 20.02 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 103.627 -2.731 . . . . 2.1699999999999999 103.627 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 109' ' ' THR . . . . . . . . . . . . . 12.2 p -63.2 158.78 19.14 Favored 'General case' 0 C--N 1.387 2.218 0 N-CA-C 103.99 -2.596 . . . . 0.40999999999999998 103.99 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 110' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' P' ' 110' ' ' LYS . 38.0 ttmt -62.69 -22.97 66.89 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 116.495 -2.082 . . . . 1.3200000000000001 109.033 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.35 -35.86 63.58 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 118.873 -1.131 . . . . 0.97999999999999998 108.729 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 112' ' ' GLN . . . . . 0.43 ' HG2' ' HB ' ' P' ' 138' ' ' ILE . 81.9 mt-30 -60.56 -57.27 13.43 Favored 'General case' 0 C--N 1.379 1.887 0 N-CA-C 103.908 -2.627 . . . . 0.94999999999999996 103.908 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 113' ' ' THR . . . . . . . . . . . . . 68.9 m -50.03 -35.36 24.56 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 130.358 3.463 . . . . 0.91000000000000003 110.132 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 114' ' ' TYR . . . . . 0.54 ' O ' ' HG2' ' P' ' 118' ' ' ARG . 14.7 t80 -68.23 -36.89 80.19 Favored 'General case' 0 C--N 1.367 1.365 0 CA-C-N 119.326 0.967 . . . . 2.4700000000000002 112.111 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 115' ' ' GLU . . . . . 0.901 ' O ' ' HB2' ' P' ' 118' ' ' ARG . 1.7 mm-40 -74.73 -29.34 61.14 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 104.967 -2.235 . . . . 2.1200000000000001 104.967 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -76.05 -37.99 57.67 Favored 'General case' 0 C--N 1.395 2.573 0 CA-C-N 123.241 2.746 . . . . 0.93999999999999995 107.905 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 117' ' ' GLU . . . . . 0.798 ' O ' ' HG2' ' P' ' 121' ' ' ARG 0.335 6.2 mt-10 -61.4 -27.76 68.77 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 124.969 1.308 . . . . 1.23 107.967 177.437 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . 0.901 ' HB2' ' O ' ' P' ' 115' ' ' GLU . 15.9 mmt180 -67.14 -64.13 0.92 Allowed 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 113.554 -1.657 . . . . 2.8599999999999999 107.566 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 119' ' ' ARG . . . . . 0.569 ' HB3' HD13 ' P' ' 126' ' ' LEU . 9.5 mmt180 -64.11 -22.92 67.13 Favored 'General case' 0 C--N 1.367 1.339 0 CA-C-O 114.288 -2.768 . . . . 1.6699999999999999 110.978 -177.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 120' ' ' PHE . . . . . 0.446 ' CD1' ' HD2' ' P' ' 152' ' ' HIS . 29.8 t80 -86.86 -35.55 18.96 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 125.449 3.75 . . . . 2.2400000000000002 109.681 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 121' ' ' ARG . . . . . 0.798 ' HG2' ' O ' ' P' ' 117' ' ' GLU . 26.5 mmm180 -67.19 -18.79 65.41 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 109.168 -0.679 . . . . 3.7000000000000002 109.168 -176.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 122' ' ' GLN . . . . . . . . . . . . 0.312 57.2 mt-30 -101.08 -23.01 14.57 Favored 'General case' 0 C--N 1.376 1.749 0 C-N-CA 125.28 1.432 . . . . 0.91000000000000003 111.472 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 123' ' ' GLN . . . . . . . . . . . . 0.35 1.8 tp60 -162.26 129.36 3.77 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-O 123.627 1.68 . . . . 1.25 110.968 -172.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 124' ' ' ARG . . . . . . . . . . . . 0.298 13.7 ttt180 -83.46 -14.97 51.31 Favored 'General case' 0 C--N 1.384 2.102 0 N-CA-C 118.142 2.645 . . . . 4.2999999999999998 118.142 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 125' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -134.49 127.12 30.78 Favored 'General case' 0 C--N 1.378 1.838 0 N-CA-C 104.85 -2.278 . . . . 2.3300000000000001 104.85 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . 0.57 ' HB3' ' HB3' ' P' ' 131' ' ' ARG 0.276 46.0 mt -106.96 139.74 40.89 Favored 'General case' 0 C--N 1.392 2.432 0 N-CA-C 107.741 -1.207 . . . . 1.0900000000000001 107.741 -178.849 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.69 173.66 9.95 Favored 'General case' 0 C--N 1.402 2.855 0 N-CA-C 106.815 -1.55 . . . . 1.22 106.815 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 128' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' P' ' 132' ' ' GLU . . . -64.27 -32.97 8.16 Favored Pre-proline 0 C--N 1.381 1.967 0 CA-C-O 115.217 -2.325 . . . . 1.1000000000000001 112.814 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 129' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -78.87 -41.0 0.25 Allowed 'Trans proline' 0 C--N 1.379 2.184 0 CA-C-N 123.239 2.192 . . . . 1.1599999999999999 112.2 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 130' ' ' GLU . . . . . . . . . . . . 0.323 0.3 OUTLIER -55.5 -53.79 51.95 Favored 'General case' 0 C--N 1.378 1.831 0 C-N-CA 125.638 1.575 . . . . 1.98 111.036 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 131' ' ' ARG . . . . . 0.57 ' HB3' ' HB3' ' P' ' 126' ' ' LEU 0.289 2.6 ptt180 -70.23 -31.19 68.49 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 114.161 -2.828 . . . . 2.98 111.697 -176.603 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 132' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' P' ' 128' ' ' ALA . 12.2 mt-10 -82.0 2.22 31.9 Favored 'General case' 0 C--N 1.391 2.372 0 CA-C-N 125.471 3.759 . . . . 1.51 107.59 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 133' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.38 -38.6 14.01 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-N 120.935 1.698 . . . . 0.97999999999999998 106.83 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 134' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' P' ' 115' ' ' GLU . 10.4 tp -66.35 -35.6 80.76 Favored 'General case' 0 C--N 1.39 2.327 0 N-CA-C 104.391 -2.448 . . . . 1.23 104.391 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.13 96.05 Favored 'General case' 0 C--N 1.371 1.523 0 N-CA-C 104.915 -2.254 . . . . 0.96999999999999997 104.915 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 136' ' ' SER . . . . . . . . . . . . . 15.9 t -84.01 -9.72 58.44 Favored 'General case' 0 C--N 1.387 2.221 0 C-N-CA 114.096 -3.041 . . . . 1.1100000000000001 115.018 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 137' ' ' LEU . . . . . . . . . . . . . 35.8 mt -78.45 -46.25 20.2 Favored 'General case' 0 C--N 1.382 2.014 0 CA-C-N 123.284 2.765 . . . . 1.0 109.407 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 138' ' ' ILE . . . . . 0.519 ' O ' ' HB3' ' P' ' 139' ' ' ARG . 0.3 OUTLIER -88.31 -16.91 8.67 Favored 'Isoleucine or valine' 0 C--N 1.373 1.612 0 CA-C-N 114.817 -1.083 . . . . 0.92000000000000004 111.107 -175.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 139' ' ' ARG . . . . . 0.519 ' HB3' ' O ' ' P' ' 138' ' ' ILE . 21.5 tpt180 85.47 22.87 0.08 Allowed 'General case' 0 C--N 1.369 1.445 0 N-CA-C 115.493 1.664 . . . . 4.0499999999999998 115.493 177.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 140' ' ' LEU . . . . . . . . . . . . . 56.7 mt -90.02 173.69 8.06 Favored 'General case' 0 C--N 1.371 1.53 1 N-CA-C 98.814 -4.513 . . . . 0.95999999999999996 98.814 176.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 141' ' ' THR . . . . . . . . . . . . . 23.8 p -91.77 173.39 5.33 Favored Pre-proline 0 C--N 1.379 1.883 0 N-CA-C 103.238 -2.875 . . . . 0.53000000000000003 103.238 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 142' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -68.73 -45.73 2.12 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 122.3 2.0 . . . . 1.5800000000000001 111.134 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 143' ' ' THR . . . . . . . . . . . . . 4.0 m -67.46 -16.19 64.08 Favored 'General case' 0 C--N 1.382 1.993 0 C-N-CA 114.361 -2.936 . . . . 0.80000000000000004 108.845 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 144' ' ' GLN . . . . . . . . . . . . 0.264 52.3 mt-30 -74.78 -31.2 61.69 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-N 124.391 3.269 . . . . 0.94999999999999996 104.957 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 145' ' ' VAL . . . . . . . . . . . . . 14.5 t -71.69 -62.07 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.408 3.14 0 CA-C-N 123.115 2.689 . . . . 0.95999999999999996 108.459 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 146' ' ' LYS . . . . . 0.426 ' HG3' ' CZ ' ' P' ' 131' ' ' ARG . 0.0 OUTLIER -38.85 -42.55 0.85 Allowed 'General case' 0 C--N 1.387 2.212 0 C-N-CA 127.039 2.136 . . . . 1.0800000000000001 109.765 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 147' ' ' ILE . . . . . . . . . . . . . 15.8 mm -72.36 -42.95 65.12 Favored 'Isoleucine or valine' 0 C--N 1.374 1.672 0 CA-C-N 122.12 2.236 . . . . 1.29 111.87 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 148' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -60.54 -24.25 65.24 Favored 'General case' 0 C--N 1.379 1.89 0 CA-C-N 123.763 2.983 . . . . 0.84999999999999998 106.434 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 149' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -72.04 -51.02 23.73 Favored 'General case' 0 C--N 1.393 2.477 0 CA-C-N 120.711 1.596 . . . . 2.2000000000000002 107.471 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 150' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -51.82 -41.08 61.49 Favored 'General case' 0 C--N 1.382 1.985 0 CA-C-N 120.55 1.523 . . . . 2.02 107.212 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 151' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -63.79 -47.84 79.31 Favored 'General case' 0 C--N 1.388 2.263 0 CA-C-O 113.459 -3.162 . . . . 1.4199999999999999 111.272 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 152' ' ' HIS . . . . . 0.446 ' HD2' ' CD1' ' P' ' 120' ' ' PHE . 1.6 t60 -68.56 -24.63 64.64 Favored 'General case' 0 C--N 1.389 2.283 1 CA-C-N 127.02 4.463 . . . . 1.96 111.179 -177.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 153' ' ' ARG . . . . . 0.742 HH11 " H3'" ' B' ' 21' ' ' ' DC' . 0.8 OUTLIER -71.27 -38.41 71.87 Favored 'General case' 0 C--N 1.389 2.316 1 CA-C-N 126.882 4.401 . . . . 1.1499999999999999 111.184 -178.335 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' P' P ' 154' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' P' ' 158' ' ' ARG . 68.3 t80 -69.71 -33.47 72.55 Favored 'General case' 0 C--N 1.385 2.146 0 CA-C-N 122.15 2.25 . . . . 2.2999999999999998 110.019 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 155' ' ' LYS . . . . . . . . . . . . 0.496 33.6 mttt -76.18 -26.06 55.82 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 115.289 1.588 . . . . 1.97 115.289 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 156' ' ' THR . . . . . . . . . . . . . 13.9 t -82.7 -38.31 23.54 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 120.104 1.32 . . . . 0.81000000000000005 110.3 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 157' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -75.41 -41.52 55.84 Favored 'General case' 0 C--N 1.369 1.418 0 CA-C-N 115.206 -0.906 . . . . 2.73 110.494 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 158' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' P' ' 154' ' ' TYR . 0.9 OUTLIER -65.05 -20.82 66.67 Favored 'General case' 0 C--N 1.365 1.272 0 CA-C-O 117.073 -1.442 . . . . 3.6499999999999999 107.653 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.03 71.67 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-N 122.846 2.567 . . . . 1.1599999999999999 110.539 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -85.34 -22.08 28.63 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 120.308 -0.557 . . . . 1.29 110.302 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -25.38 64.89 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 103.63 -2.73 . . . . 1.8999999999999999 103.63 177.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 162' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 . . . . . 0 C--N 1.388 2.249 0 N-CA-C 101.192 -3.633 . . . . 2.6200000000000001 101.192 -178.635 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' DT' . . . . . 0.552 ' O2 ' " O4'" ' A' ' 1' ' ' ' DT' . . . . . . . . 1 C2'--C1' 1.579 4.166 1 C4'-C3'-C2' 98.505 -4.695 . . . . 3.1800000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -2.972 1 P-O3'-C3' 130.49 8.992 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' DT' . . . . . 1.15 H2'' ' C8 ' ' A' ' 4' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.544 2.553 2 P-O5'-C5' 103.98 -10.575 . . . . 2.1400000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . 1.15 ' C8 ' H2'' ' A' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.18 0 P-O5'-C5' 114.85 -3.781 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . 0.529 ' C2 ' ' N3 ' ' A' ' 6' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.545 2.701 2 N19-C1'-C2' 122.347 5.092 . . . . 1.76 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' DC' . . . . . 0.529 ' N3 ' ' C2 ' ' A' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.553 2.266 2 N19-C1'-C2' 122.181 4.988 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' DA' . . . . . 0.827 H2'' " C5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.553 2.527 0 P-O5'-C5' 115.088 -3.633 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . 0.827 " C5'" H2'' ' A' ' 7' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.491 2 P-O5'-C5' 108.571 -7.706 . . . . 2.04 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' DG' . . . . . 0.406 ' H8 ' H2'' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.535 1.678 1 P-O5'-C5' 113.188 -4.82 . . . . 1.6100000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' DT' . . . . . 0.475 ' C4 ' ' C6 ' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.546 2.8 1 P-O5'-C5' 113.698 -4.501 . . . . 2.0299999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' DG' . . . . . 0.475 ' C6 ' ' C4 ' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 N19-C1'-C2' 118.416 2.635 . . . . 1.0700000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 P-O5'-C5' 114.525 -3.984 . . . . 2.04 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' DC' . . . . . 0.453 " H2'" ' H72' ' A' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.546 2.785 1 P-O5'-C5' 113.228 -4.795 . . . . 1.98 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' DT' . . . . . 0.558 " H2'" ' H8 ' ' A' ' 15' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.857 1 N19-C1'-C2' 121.652 4.658 . . . . 2.1600000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' DG' . . . . . 0.804 " H2'" ' H71' ' A' ' 16' ' ' ' DT' . . . . . . . . 0 P--O3' 1.581 -2.161 1 O4'-C1'-N19 101.405 -7.993 . . . . 2.46 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ' DT' . . . . . 0.804 ' H71' " H2'" ' A' ' 15' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.908 3 O4'-C4'-C3' 100.164 -5.436 . . . . 2.46 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.951 1 O4'-C1'-N19 102.95 -6.062 . . . . 2.6699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.448 2 P-O3'-C3' 127.47 6.475 . . . . 2.5899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 P-O5'-C5' 112.898 -5.001 . . . . 2.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.859 1 P-O5'-C5' 112.735 -5.103 . . . . 2.1099999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' DC' . . . . . 0.773 " H3'" HH11 ' P' ' 153' ' ' ARG . . . . . . . . 0 C3'--C2' 1.542 2.442 3 P-O5'-C5' 112.878 -5.014 . . . . 1.4299999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.528 ' C6 ' H2'' ' B' ' 21' ' ' ' DC' . . . . . . . . 0 P--O3' 1.567 -3.33 3 P-O3'-C3' 128.337 7.198 . . . . 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.56 3.156 2 O4'-C1'-N19 111.679 4.849 . . . . 1.3600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 1.088 H2'' H5'' ' B' ' 25' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.553 2.53 1 P-O5'-C5' 111.559 -5.838 . . . . 1.6200000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' DT' . . . . . 1.088 H5'' H2'' ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.75 1 P-O5'-C5' 111.519 -5.863 . . . . 2.04 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' DT' . . . . . 0.596 H2'' ' C8 ' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.552 2.435 2 P-O5'-C5' 112.443 -5.286 . . . . 1.3200000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' DG' . . . . . 0.596 ' C8 ' H2'' ' B' ' 26' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.145 0 P-O5'-C5' 114.938 -3.726 . . . . 1.4099999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' DA' . . . . . 0.716 ' H8 ' H5'' ' B' ' 28' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.553 2.3 2 O4'-C1'-N19 112.135 5.418 . . . . 1.0700000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' DC' . . . . . 0.933 H2'' ' N7 ' ' B' ' 30' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.141 1 N19-C1'-C2' 122.115 4.947 . . . . 1.4099999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' DA' . . . . . 0.933 ' N7 ' H2'' ' B' ' 29' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.542 2.368 2 O4'-C1'-N19 111.932 5.164 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ' DC' . . . . . 0.439 H2'' " H5'" ' B' ' 32' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.547 2.909 1 P-O5'-C5' 113.993 -4.317 . . . . 2.3700000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ' DA' . . . . . 0.439 " H5'" H2'' ' B' ' 31' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.381 -3.867 1 P-O5'-C5' 113.087 -4.883 . . . . 2.54 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 100' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 106.358 -1.719 . . . . 7.0800000000000001 106.358 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 101' ' ' LYS . . . . . 0.445 ' HA ' ' HD2' ' P' ' 101' ' ' LYS . 7.3 tptm -77.52 146.73 36.2 Favored 'General case' 0 C--N 1.376 1.724 0 N-CA-C 103.786 -2.672 . . . . 4.79 103.786 -176.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 102' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' P' ' 103' ' ' LYS . 17.8 mmt180 -92.36 51.16 1.72 Allowed 'General case' 0 C--N 1.387 2.199 0 CA-C-O 116.819 -1.562 . . . . 5.3899999999999997 113.145 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 103' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' P' ' 102' ' ' ARG . 21.9 ttpp 31.84 66.82 0.16 Allowed 'General case' 0 C--N 1.373 1.62 0 N-CA-C 106.701 -1.592 . . . . 1.6499999999999999 106.701 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 104' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -68.99 155.41 40.4 Favored 'General case' 0 C--N 1.381 1.942 0 N-CA-C 101.521 -3.511 . . . . 3.3399999999999999 101.521 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 105' ' ' ARG . . . . . 0.729 ' HD2' HD21 ' P' ' 107' ' ' LEU . 14.2 ttm180 -66.48 167.44 10.73 Favored 'General case' 0 C--N 1.378 1.844 0 N-CA-C 102.929 -2.989 . . . . 0.89000000000000001 102.929 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 106' ' ' VAL . . . . . 0.722 ' H ' ' HG2' ' P' ' 105' ' ' ARG . 0.0 OUTLIER -144.11 132.26 18.16 Favored 'Isoleucine or valine' 0 C--N 1.369 1.427 0 N-CA-C 103.917 -2.623 . . . . 0.95999999999999996 103.917 -179.541 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 107' ' ' LEU . . . . . 0.729 HD21 ' HD2' ' P' ' 105' ' ' ARG . 1.4 mm? -120.51 164.65 16.12 Favored 'General case' 0 C--N 1.382 1.984 1 N-CA-C 99.49 -4.263 . . . . 0.85999999999999999 99.49 -177.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 108' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -110.2 156.9 20.02 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 103.627 -2.731 . . . . 1.24 103.627 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 109' ' ' THR . . . . . . . . . . . . . 12.2 p -63.2 158.78 19.14 Favored 'General case' 0 C--N 1.387 2.218 0 N-CA-C 103.99 -2.596 . . . . 0.37 103.99 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 110' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' P' ' 110' ' ' LYS . 38.0 ttmt -62.69 -22.97 66.89 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 116.495 -2.082 . . . . 0.77000000000000002 109.033 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.35 -35.86 63.58 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 118.873 -1.131 . . . . 0.34999999999999998 108.729 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 112' ' ' GLN . . . . . 0.523 ' HG2' ' HB ' ' P' ' 138' ' ' ILE . 81.9 mt-30 -60.56 -57.27 13.43 Favored 'General case' 0 C--N 1.379 1.887 0 N-CA-C 103.908 -2.627 . . . . 0.33000000000000002 103.908 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 113' ' ' THR . . . . . . . . . . . . . 68.9 m -50.03 -35.36 24.56 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 130.358 3.463 . . . . 0.31 110.132 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 114' ' ' TYR . . . . . 0.514 ' O ' ' HG2' ' P' ' 118' ' ' ARG . 14.7 t80 -68.23 -36.89 80.19 Favored 'General case' 0 C--N 1.367 1.365 0 CA-C-N 119.326 0.967 . . . . 1.52 112.111 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 115' ' ' GLU . . . . . 0.924 ' O ' ' HB2' ' P' ' 118' ' ' ARG . 1.7 mm-40 -74.73 -29.34 61.14 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 104.967 -2.235 . . . . 2.1200000000000001 104.967 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -76.05 -37.99 57.67 Favored 'General case' 0 C--N 1.395 2.573 0 CA-C-N 123.241 2.746 . . . . 0.22 107.905 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 117' ' ' GLU . . . . . 0.817 ' O ' ' HG2' ' P' ' 121' ' ' ARG 0.335 6.2 mt-10 -61.4 -27.76 68.77 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 124.969 1.308 . . . . 1.23 107.967 177.437 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 118' ' ' ARG . . . . . 0.924 ' HB2' ' O ' ' P' ' 115' ' ' GLU . 15.9 mmt180 -67.14 -64.13 0.92 Allowed 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 113.554 -1.657 . . . . 2.2599999999999998 107.566 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 119' ' ' ARG . . . . . 0.618 ' HB3' HD11 ' P' ' 126' ' ' LEU . 9.5 mmt180 -64.11 -22.92 67.13 Favored 'General case' 0 C--N 1.367 1.339 0 CA-C-O 114.288 -2.768 . . . . 1.3 110.978 -177.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 120' ' ' PHE . . . . . 0.466 ' CD1' ' HD2' ' P' ' 152' ' ' HIS . 29.8 t80 -86.86 -35.55 18.96 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 125.449 3.75 . . . . 1.27 109.681 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 121' ' ' ARG . . . . . 0.817 ' HG2' ' O ' ' P' ' 117' ' ' GLU . 26.5 mmm180 -67.19 -18.79 65.41 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 109.168 -0.679 . . . . 3.1099999999999999 109.168 -176.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 122' ' ' GLN . . . . . . . . . . . . 0.312 57.2 mt-30 -101.08 -23.01 14.57 Favored 'General case' 0 C--N 1.376 1.749 0 C-N-CA 125.28 1.432 . . . . 0.60999999999999999 111.472 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 123' ' ' GLN . . . . . . . . . . . . 0.35 1.8 tp60 -162.26 129.36 3.77 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-O 123.627 1.68 . . . . 1.1899999999999999 110.968 -172.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 124' ' ' ARG . . . . . . . . . . . . 0.298 13.7 ttt180 -83.46 -14.97 51.31 Favored 'General case' 0 C--N 1.384 2.102 0 N-CA-C 118.142 2.645 . . . . 3.4100000000000001 118.142 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 125' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -134.49 127.12 30.78 Favored 'General case' 0 C--N 1.378 1.838 0 N-CA-C 104.85 -2.278 . . . . 1.3899999999999999 104.85 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' P' ' 131' ' ' ARG 0.276 46.0 mt -106.96 139.74 40.89 Favored 'General case' 0 C--N 1.392 2.432 0 N-CA-C 107.741 -1.207 . . . . 0.44 107.741 -178.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.69 173.66 9.95 Favored 'General case' 0 C--N 1.402 2.855 0 N-CA-C 106.815 -1.55 . . . . 0.89000000000000001 106.815 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 128' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' P' ' 132' ' ' GLU . . . -64.27 -32.97 8.16 Favored Pre-proline 0 C--N 1.381 1.967 0 CA-C-O 115.217 -2.325 . . . . 0.54000000000000004 112.814 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 129' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -78.87 -41.0 0.25 Allowed 'Trans proline' 0 C--N 1.379 2.184 0 CA-C-N 123.239 2.192 . . . . 0.56000000000000005 112.2 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 130' ' ' GLU . . . . . . . . . . . . 0.323 0.3 OUTLIER -55.5 -53.79 51.95 Favored 'General case' 0 C--N 1.378 1.831 0 C-N-CA 125.638 1.575 . . . . 1.98 111.036 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 131' ' ' ARG . . . . . 0.623 ' HB3' ' HB3' ' P' ' 126' ' ' LEU 0.289 2.6 ptt180 -70.23 -31.19 68.49 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 114.161 -2.828 . . . . 2.2200000000000002 111.697 -176.603 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 132' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' P' ' 128' ' ' ALA . 12.2 mt-10 -82.0 2.22 31.9 Favored 'General case' 0 C--N 1.391 2.372 0 CA-C-N 125.471 3.759 . . . . 1.51 107.59 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 133' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.38 -38.6 14.01 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-N 120.935 1.698 . . . . 0.67000000000000004 106.83 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 134' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' P' ' 115' ' ' GLU . 10.4 tp -66.35 -35.6 80.76 Favored 'General case' 0 C--N 1.39 2.327 0 N-CA-C 104.391 -2.448 . . . . 0.53000000000000003 104.391 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.13 96.05 Favored 'General case' 0 C--N 1.371 1.523 0 N-CA-C 104.915 -2.254 . . . . 0.31 104.915 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 136' ' ' SER . . . . . . . . . . . . . 15.9 t -84.01 -9.72 58.44 Favored 'General case' 0 C--N 1.387 2.221 0 C-N-CA 114.096 -3.041 . . . . 0.97999999999999998 115.018 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 137' ' ' LEU . . . . . . . . . . . . . 35.8 mt -78.45 -46.25 20.2 Favored 'General case' 0 C--N 1.382 2.014 0 CA-C-N 123.284 2.765 . . . . 0.35999999999999999 109.407 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 138' ' ' ILE . . . . . 0.523 ' HB ' ' HG2' ' P' ' 112' ' ' GLN . 0.3 OUTLIER -88.31 -16.91 8.67 Favored 'Isoleucine or valine' 0 C--N 1.373 1.612 0 CA-C-N 114.817 -1.083 . . . . 0.28000000000000003 111.107 -175.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 139' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' P' ' 138' ' ' ILE . 21.5 tpt180 85.47 22.87 0.08 Allowed 'General case' 0 C--N 1.369 1.445 0 N-CA-C 115.493 1.664 . . . . 3.5699999999999998 115.493 177.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 140' ' ' LEU . . . . . 0.454 HD12 HD11 ' P' ' 138' ' ' ILE . 56.7 mt -90.02 173.69 8.06 Favored 'General case' 0 C--N 1.371 1.53 1 N-CA-C 98.814 -4.513 . . . . 0.34999999999999998 98.814 176.378 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 141' ' ' THR . . . . . . . . . . . . . 23.8 p -91.77 173.39 5.33 Favored Pre-proline 0 C--N 1.379 1.883 0 N-CA-C 103.238 -2.875 . . . . 0.47999999999999998 103.238 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 142' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -68.73 -45.73 2.12 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 122.3 2.0 . . . . 0.69999999999999996 111.134 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 143' ' ' THR . . . . . . . . . . . . . 4.0 m -67.46 -16.19 64.08 Favored 'General case' 0 C--N 1.382 1.993 0 C-N-CA 114.361 -2.936 . . . . 0.52000000000000002 108.845 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 144' ' ' GLN . . . . . . . . . . . . 0.264 52.3 mt-30 -74.78 -31.2 61.69 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-N 124.391 3.269 . . . . 0.38 104.957 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 145' ' ' VAL . . . . . . . . . . . . . 14.5 t -71.69 -62.07 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.408 3.14 0 CA-C-N 123.115 2.689 . . . . 0.27000000000000002 108.459 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 146' ' ' LYS . . . . . 0.427 ' HG3' ' CZ ' ' P' ' 131' ' ' ARG . 0.0 OUTLIER -38.85 -42.55 0.85 Allowed 'General case' 0 C--N 1.387 2.212 0 C-N-CA 127.039 2.136 . . . . 0.48999999999999999 109.765 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 147' ' ' ILE . . . . . . . . . . . . . 15.8 mm -72.36 -42.95 65.12 Favored 'Isoleucine or valine' 0 C--N 1.374 1.672 0 CA-C-N 122.12 2.236 . . . . 0.66000000000000003 111.87 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 148' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -60.54 -24.25 65.24 Favored 'General case' 0 C--N 1.379 1.89 0 CA-C-N 123.763 2.983 . . . . 0.25 106.434 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 149' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -72.04 -51.02 23.73 Favored 'General case' 0 C--N 1.393 2.477 0 CA-C-N 120.711 1.596 . . . . 1.24 107.471 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 150' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -51.82 -41.08 61.49 Favored 'General case' 0 C--N 1.382 1.985 0 CA-C-N 120.55 1.523 . . . . 1.45 107.212 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 151' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -63.79 -47.84 79.31 Favored 'General case' 0 C--N 1.388 2.263 0 CA-C-O 113.459 -3.162 . . . . 1.4199999999999999 111.272 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 152' ' ' HIS . . . . . 0.466 ' HD2' ' CD1' ' P' ' 120' ' ' PHE . 1.6 t60 -68.56 -24.63 64.64 Favored 'General case' 0 C--N 1.389 2.283 1 CA-C-N 127.02 4.463 . . . . 1.3999999999999999 111.179 -177.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 153' ' ' ARG . . . . . 0.773 HH11 " H3'" ' B' ' 21' ' ' ' DC' . 0.8 OUTLIER -71.27 -38.41 71.87 Favored 'General case' 0 C--N 1.389 2.316 1 CA-C-N 126.882 4.401 . . . . 0.81999999999999995 111.184 -178.335 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' P' P ' 154' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' P' ' 158' ' ' ARG . 68.3 t80 -69.71 -33.47 72.55 Favored 'General case' 0 C--N 1.385 2.146 0 CA-C-N 122.15 2.25 . . . . 1.3899999999999999 110.019 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 155' ' ' LYS . . . . . . . . . . . . 0.496 33.6 mttt -76.18 -26.06 55.82 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 115.289 1.588 . . . . 1.2 115.289 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 156' ' ' THR . . . . . 0.504 HG23 ' HG2' ' P' ' 157' ' ' LYS . 13.9 t -82.7 -38.31 23.54 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 120.104 1.32 . . . . 0.37 110.3 -175.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 157' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' P' ' 156' ' ' THR . 18.0 mmmt -75.41 -41.52 55.84 Favored 'General case' 0 C--N 1.369 1.418 0 CA-C-N 115.206 -0.906 . . . . 2.27 110.494 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 158' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' P' ' 154' ' ' TYR . 0.9 OUTLIER -65.05 -20.82 66.67 Favored 'General case' 0 C--N 1.365 1.272 0 CA-C-O 117.073 -1.442 . . . . 2.8500000000000001 107.653 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.03 71.67 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-N 122.846 2.567 . . . . 0.66000000000000003 110.539 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -85.34 -22.08 28.63 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 120.308 -0.557 . . . . 0.93999999999999995 110.302 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -25.38 64.89 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 103.63 -2.73 . . . . 1.3700000000000001 103.63 177.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 162' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 . . . . . 0 C--N 1.388 2.249 0 N-CA-C 101.192 -3.633 . . . . 2.6200000000000001 101.192 -178.635 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' DT' . . . . . 0.552 ' O2 ' " O4'" ' A' ' 1' ' ' ' DT' . . . . . . . . 1 C2'--C1' 1.579 4.166 1 C4'-C3'-C2' 98.505 -4.695 . . . . 3.1800000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -2.972 1 P-O3'-C3' 130.49 8.992 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' DT' . . . . . 1.15 H2'' ' C8 ' ' A' ' 4' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.544 2.553 2 P-O5'-C5' 103.98 -10.575 . . . . 2.1400000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . 1.15 ' C8 ' H2'' ' A' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.422 -2.18 0 P-O5'-C5' 114.85 -3.781 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . 0.529 ' C2 ' ' N3 ' ' A' ' 6' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.545 2.701 2 N19-C1'-C2' 122.347 5.092 . . . . 1.76 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' DC' . . . . . 0.529 ' N3 ' ' C2 ' ' A' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.553 2.266 2 N19-C1'-C2' 122.181 4.988 . . . . 1.95 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' DA' . . . . . 0.827 H2'' " C5'" ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.553 2.527 0 P-O5'-C5' 115.088 -3.633 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . 0.827 " C5'" H2'' ' A' ' 7' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.491 2 P-O5'-C5' 108.571 -7.706 . . . . 2.04 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' DG' . . . . . 0.406 ' H8 ' H2'' ' A' ' 8' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.535 1.678 1 P-O5'-C5' 113.188 -4.82 . . . . 1.6100000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' DT' . . . . . 0.475 ' C4 ' ' C6 ' ' A' ' 11' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.546 2.8 1 P-O5'-C5' 113.698 -4.501 . . . . 2.0299999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' DG' . . . . . 0.475 ' C6 ' ' C4 ' ' A' ' 10' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.689 0 N19-C1'-C2' 118.416 2.635 . . . . 1.0700000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.12 0 P-O5'-C5' 114.525 -3.984 . . . . 2.04 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 0.453 " H2'" ' H72' ' A' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.546 2.785 1 P-O5'-C5' 113.228 -4.795 . . . . 1.98 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' DT' . . . . . 0.558 " H2'" ' H8 ' ' A' ' 15' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.857 1 N19-C1'-C2' 121.652 4.658 . . . . 2.1600000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' DG' . . . . . 0.804 " H2'" ' H71' ' A' ' 16' ' ' ' DT' . . . . . . . . 0 P--O3' 1.581 -2.161 1 O4'-C1'-N19 101.405 -7.993 . . . . 2.46 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ' DT' . . . . . 0.804 ' H71' " H2'" ' A' ' 15' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.908 3 O4'-C4'-C3' 100.164 -5.436 . . . . 2.46 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.951 1 O4'-C1'-N19 102.95 -6.062 . . . . 2.6699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.448 2 P-O3'-C3' 127.47 6.475 . . . . 2.5899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 P-O5'-C5' 112.898 -5.001 . . . . 2.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.859 1 P-O5'-C5' 112.735 -5.103 . . . . 2.1099999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' DC' . . . . . 0.773 " H3'" HH11 ' P' ' 153' ' ' ARG . . . . . . . . 0 C3'--C2' 1.542 2.442 3 P-O5'-C5' 112.878 -5.014 . . . . 1.4299999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.528 ' C6 ' H2'' ' B' ' 21' ' ' ' DC' . . . . . . . . 0 P--O3' 1.567 -3.33 3 P-O3'-C3' 128.337 7.198 . . . . 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.56 3.156 2 O4'-C1'-N19 111.679 4.849 . . . . 1.3600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 1.088 H2'' H5'' ' B' ' 25' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.553 2.53 1 P-O5'-C5' 111.559 -5.838 . . . . 1.6200000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' DT' . . . . . 1.088 H5'' H2'' ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.75 1 P-O5'-C5' 111.519 -5.863 . . . . 2.04 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' DT' . . . . . 0.596 H2'' ' C8 ' ' B' ' 27' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.552 2.435 2 P-O5'-C5' 112.443 -5.286 . . . . 1.3200000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' DG' . . . . . 0.596 ' C8 ' H2'' ' B' ' 26' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.145 0 P-O5'-C5' 114.938 -3.726 . . . . 1.4099999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' DA' . . . . . 0.716 ' H8 ' H5'' ' B' ' 28' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.553 2.3 2 O4'-C1'-N19 112.135 5.418 . . . . 1.0700000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' DC' . . . . . 0.933 H2'' ' N7 ' ' B' ' 30' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.528 2.141 1 N19-C1'-C2' 122.115 4.947 . . . . 1.4099999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' DA' . . . . . 0.933 ' N7 ' H2'' ' B' ' 29' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.542 2.368 2 O4'-C1'-N19 111.932 5.164 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ' DC' . . . . . 0.439 H2'' " H5'" ' B' ' 32' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.547 2.909 1 P-O5'-C5' 113.993 -4.317 . . . . 2.3700000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ' DA' . . . . . 0.439 " H5'" H2'' ' B' ' 31' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.381 -3.867 1 P-O5'-C5' 113.087 -4.883 . . . . 2.54 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 100' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 106.358 -1.719 . . . . 7.0800000000000001 106.358 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 101' ' ' LYS . . . . . 0.445 ' HA ' ' HD2' ' P' ' 101' ' ' LYS . 7.3 tptm -77.52 146.73 36.2 Favored 'General case' 0 C--N 1.376 1.724 0 N-CA-C 103.786 -2.672 . . . . 4.79 103.786 -176.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 102' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' P' ' 103' ' ' LYS . 17.8 mmt180 -92.36 51.16 1.72 Allowed 'General case' 0 C--N 1.387 2.199 0 CA-C-O 116.819 -1.562 . . . . 5.3899999999999997 113.145 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 103' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' P' ' 102' ' ' ARG . 21.9 ttpp 31.84 66.82 0.16 Allowed 'General case' 0 C--N 1.373 1.62 0 N-CA-C 106.701 -1.592 . . . . 1.6499999999999999 106.701 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 104' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -68.99 155.41 40.4 Favored 'General case' 0 C--N 1.381 1.942 0 N-CA-C 101.521 -3.511 . . . . 3.3399999999999999 101.521 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 105' ' ' ARG . . . . . 0.729 ' HD2' HD21 ' P' ' 107' ' ' LEU . 14.2 ttm180 -66.48 167.44 10.73 Favored 'General case' 0 C--N 1.378 1.844 0 N-CA-C 102.929 -2.989 . . . . 0.89000000000000001 102.929 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 106' ' ' VAL . . . . . 0.722 ' H ' ' HG2' ' P' ' 105' ' ' ARG . 0.0 OUTLIER -144.11 132.26 18.16 Favored 'Isoleucine or valine' 0 C--N 1.369 1.427 0 N-CA-C 103.917 -2.623 . . . . 0.95999999999999996 103.917 -179.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 107' ' ' LEU . . . . . 0.729 HD21 ' HD2' ' P' ' 105' ' ' ARG . 1.4 mm? -120.51 164.65 16.12 Favored 'General case' 0 C--N 1.382 1.984 1 N-CA-C 99.49 -4.263 . . . . 0.85999999999999999 99.49 -177.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 108' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -110.2 156.9 20.02 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 103.627 -2.731 . . . . 1.24 103.627 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 109' ' ' THR . . . . . . . . . . . . . 12.2 p -63.2 158.78 19.14 Favored 'General case' 0 C--N 1.387 2.218 0 N-CA-C 103.99 -2.596 . . . . 0.37 103.99 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 110' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' P' ' 110' ' ' LYS . 38.0 ttmt -62.69 -22.97 66.89 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 116.495 -2.082 . . . . 0.77000000000000002 109.033 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.35 -35.86 63.58 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 118.873 -1.131 . . . . 0.34999999999999998 108.729 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 112' ' ' GLN . . . . . 0.523 ' HG2' ' HB ' ' P' ' 138' ' ' ILE . 81.9 mt-30 -60.56 -57.27 13.43 Favored 'General case' 0 C--N 1.379 1.887 0 N-CA-C 103.908 -2.627 . . . . 0.33000000000000002 103.908 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 113' ' ' THR . . . . . . . . . . . . . 68.9 m -50.03 -35.36 24.56 Favored 'General case' 0 C--N 1.378 1.837 0 C-N-CA 130.358 3.463 . . . . 0.31 110.132 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 114' ' ' TYR . . . . . 0.514 ' O ' ' HG2' ' P' ' 118' ' ' ARG . 14.7 t80 -68.23 -36.89 80.19 Favored 'General case' 0 C--N 1.367 1.365 0 CA-C-N 119.326 0.967 . . . . 1.52 112.111 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 115' ' ' GLU . . . . . 0.924 ' O ' ' HB2' ' P' ' 118' ' ' ARG . 1.7 mm-40 -74.73 -29.34 61.14 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 104.967 -2.235 . . . . 2.1200000000000001 104.967 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -76.05 -37.99 57.67 Favored 'General case' 0 C--N 1.395 2.573 0 CA-C-N 123.241 2.746 . . . . 0.22 107.905 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 117' ' ' GLU . . . . . 0.817 ' O ' ' HG2' ' P' ' 121' ' ' ARG 0.335 6.2 mt-10 -61.4 -27.76 68.77 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 124.969 1.308 . . . . 1.23 107.967 177.437 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . 0.924 ' HB2' ' O ' ' P' ' 115' ' ' GLU . 15.9 mmt180 -67.14 -64.13 0.92 Allowed 'General case' 0 N--CA 1.423 -1.788 0 CA-C-N 113.554 -1.657 . . . . 2.2599999999999998 107.566 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 119' ' ' ARG . . . . . 0.618 ' HB3' HD11 ' P' ' 126' ' ' LEU . 9.5 mmt180 -64.11 -22.92 67.13 Favored 'General case' 0 C--N 1.367 1.339 0 CA-C-O 114.288 -2.768 . . . . 1.3 110.978 -177.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 120' ' ' PHE . . . . . 0.466 ' CD1' ' HD2' ' P' ' 152' ' ' HIS . 29.8 t80 -86.86 -35.55 18.96 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 125.449 3.75 . . . . 1.27 109.681 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 121' ' ' ARG . . . . . 0.817 ' HG2' ' O ' ' P' ' 117' ' ' GLU . 26.5 mmm180 -67.19 -18.79 65.41 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 109.168 -0.679 . . . . 3.1099999999999999 109.168 -176.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 122' ' ' GLN . . . . . . . . . . . . 0.312 57.2 mt-30 -101.08 -23.01 14.57 Favored 'General case' 0 C--N 1.376 1.749 0 C-N-CA 125.28 1.432 . . . . 0.60999999999999999 111.472 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 123' ' ' GLN . . . . . . . . . . . . 0.35 1.8 tp60 -162.26 129.36 3.77 Favored 'General case' 0 C--N 1.374 1.633 0 CA-C-O 123.627 1.68 . . . . 1.1899999999999999 110.968 -172.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 124' ' ' ARG . . . . . . . . . . . . 0.298 13.7 ttt180 -83.46 -14.97 51.31 Favored 'General case' 0 C--N 1.384 2.102 0 N-CA-C 118.142 2.645 . . . . 3.4100000000000001 118.142 -178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 125' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -134.49 127.12 30.78 Favored 'General case' 0 C--N 1.378 1.838 0 N-CA-C 104.85 -2.278 . . . . 1.3899999999999999 104.85 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' P' ' 131' ' ' ARG 0.276 46.0 mt -106.96 139.74 40.89 Favored 'General case' 0 C--N 1.392 2.432 0 N-CA-C 107.741 -1.207 . . . . 0.44 107.741 -178.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.69 173.66 9.95 Favored 'General case' 0 C--N 1.402 2.855 0 N-CA-C 106.815 -1.55 . . . . 0.89000000000000001 106.815 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 128' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' P' ' 132' ' ' GLU . . . -64.27 -32.97 8.16 Favored Pre-proline 0 C--N 1.381 1.967 0 CA-C-O 115.217 -2.325 . . . . 0.54000000000000004 112.814 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 129' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -78.87 -41.0 0.25 Allowed 'Trans proline' 0 C--N 1.379 2.184 0 CA-C-N 123.239 2.192 . . . . 0.56000000000000005 112.2 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 130' ' ' GLU . . . . . . . . . . . . 0.323 0.3 OUTLIER -55.5 -53.79 51.95 Favored 'General case' 0 C--N 1.378 1.831 0 C-N-CA 125.638 1.575 . . . . 1.98 111.036 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 131' ' ' ARG . . . . . 0.623 ' HB3' ' HB3' ' P' ' 126' ' ' LEU 0.289 2.6 ptt180 -70.23 -31.19 68.49 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 114.161 -2.828 . . . . 2.2200000000000002 111.697 -176.603 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 132' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' P' ' 128' ' ' ALA . 12.2 mt-10 -82.0 2.22 31.9 Favored 'General case' 0 C--N 1.391 2.372 0 CA-C-N 125.471 3.759 . . . . 1.51 107.59 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 133' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.38 -38.6 14.01 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-N 120.935 1.698 . . . . 0.67000000000000004 106.83 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 134' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' P' ' 115' ' ' GLU . 10.4 tp -66.35 -35.6 80.76 Favored 'General case' 0 C--N 1.39 2.327 0 N-CA-C 104.391 -2.448 . . . . 0.53000000000000003 104.391 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.67 -40.13 96.05 Favored 'General case' 0 C--N 1.371 1.523 0 N-CA-C 104.915 -2.254 . . . . 0.31 104.915 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 136' ' ' SER . . . . . . . . . . . . . 15.9 t -84.01 -9.72 58.44 Favored 'General case' 0 C--N 1.387 2.221 0 C-N-CA 114.096 -3.041 . . . . 0.97999999999999998 115.018 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 137' ' ' LEU . . . . . . . . . . . . . 35.8 mt -78.45 -46.25 20.2 Favored 'General case' 0 C--N 1.382 2.014 0 CA-C-N 123.284 2.765 . . . . 0.35999999999999999 109.407 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 138' ' ' ILE . . . . . 0.523 ' HB ' ' HG2' ' P' ' 112' ' ' GLN . 0.3 OUTLIER -88.31 -16.91 8.67 Favored 'Isoleucine or valine' 0 C--N 1.373 1.612 0 CA-C-N 114.817 -1.083 . . . . 0.28000000000000003 111.107 -175.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 139' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' P' ' 138' ' ' ILE . 21.5 tpt180 85.47 22.87 0.08 Allowed 'General case' 0 C--N 1.369 1.445 0 N-CA-C 115.493 1.664 . . . . 3.5699999999999998 115.493 177.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 140' ' ' LEU . . . . . 0.454 HD12 HD11 ' P' ' 138' ' ' ILE . 56.7 mt -90.02 173.69 8.06 Favored 'General case' 0 C--N 1.371 1.53 1 N-CA-C 98.814 -4.513 . . . . 0.34999999999999998 98.814 176.378 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 141' ' ' THR . . . . . . . . . . . . . 23.8 p -91.77 173.39 5.33 Favored Pre-proline 0 C--N 1.379 1.883 0 N-CA-C 103.238 -2.875 . . . . 0.47999999999999998 103.238 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 142' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -68.73 -45.73 2.12 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 122.3 2.0 . . . . 0.69999999999999996 111.134 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 143' ' ' THR . . . . . . . . . . . . . 4.0 m -67.46 -16.19 64.08 Favored 'General case' 0 C--N 1.382 1.993 0 C-N-CA 114.361 -2.936 . . . . 0.52000000000000002 108.845 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 144' ' ' GLN . . . . . . . . . . . . 0.264 52.3 mt-30 -74.78 -31.2 61.69 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-N 124.391 3.269 . . . . 0.38 104.957 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 145' ' ' VAL . . . . . . . . . . . . . 14.5 t -71.69 -62.07 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.408 3.14 0 CA-C-N 123.115 2.689 . . . . 0.27000000000000002 108.459 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 146' ' ' LYS . . . . . 0.427 ' HG3' ' CZ ' ' P' ' 131' ' ' ARG . 0.0 OUTLIER -38.85 -42.55 0.85 Allowed 'General case' 0 C--N 1.387 2.212 0 C-N-CA 127.039 2.136 . . . . 0.48999999999999999 109.765 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 147' ' ' ILE . . . . . . . . . . . . . 15.8 mm -72.36 -42.95 65.12 Favored 'Isoleucine or valine' 0 C--N 1.374 1.672 0 CA-C-N 122.12 2.236 . . . . 0.66000000000000003 111.87 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 148' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -60.54 -24.25 65.24 Favored 'General case' 0 C--N 1.379 1.89 0 CA-C-N 123.763 2.983 . . . . 0.25 106.434 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 149' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -72.04 -51.02 23.73 Favored 'General case' 0 C--N 1.393 2.477 0 CA-C-N 120.711 1.596 . . . . 1.24 107.471 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 150' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -51.82 -41.08 61.49 Favored 'General case' 0 C--N 1.382 1.985 0 CA-C-N 120.55 1.523 . . . . 1.45 107.212 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 151' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -63.79 -47.84 79.31 Favored 'General case' 0 C--N 1.388 2.263 0 CA-C-O 113.459 -3.162 . . . . 1.4199999999999999 111.272 -177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 152' ' ' HIS . . . . . 0.466 ' HD2' ' CD1' ' P' ' 120' ' ' PHE . 1.6 t60 -68.56 -24.63 64.64 Favored 'General case' 0 C--N 1.389 2.283 1 CA-C-N 127.02 4.463 . . . . 1.3999999999999999 111.179 -177.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 153' ' ' ARG . . . . . 0.773 HH11 " H3'" ' B' ' 21' ' ' ' DC' . 0.8 OUTLIER -71.27 -38.41 71.87 Favored 'General case' 0 C--N 1.389 2.316 1 CA-C-N 126.882 4.401 . . . . 0.81999999999999995 111.184 -178.335 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' P' P ' 154' ' ' TYR . . . . . 0.442 ' O ' ' HB3' ' P' ' 158' ' ' ARG . 68.3 t80 -69.71 -33.47 72.55 Favored 'General case' 0 C--N 1.385 2.146 0 CA-C-N 122.15 2.25 . . . . 1.3899999999999999 110.019 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 155' ' ' LYS . . . . . . . . . . . . 0.496 33.6 mttt -76.18 -26.06 55.82 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 115.289 1.588 . . . . 1.2 115.289 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 156' ' ' THR . . . . . 0.504 HG23 ' HG2' ' P' ' 157' ' ' LYS . 13.9 t -82.7 -38.31 23.54 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 120.104 1.32 . . . . 0.37 110.3 -175.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 157' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' P' ' 156' ' ' THR . 18.0 mmmt -75.41 -41.52 55.84 Favored 'General case' 0 C--N 1.369 1.418 0 CA-C-N 115.206 -0.906 . . . . 2.27 110.494 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 158' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' P' ' 154' ' ' TYR . 0.9 OUTLIER -65.05 -20.82 66.67 Favored 'General case' 0 C--N 1.365 1.272 0 CA-C-O 117.073 -1.442 . . . . 2.8500000000000001 107.653 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.89 -33.03 71.67 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-N 122.846 2.567 . . . . 0.66000000000000003 110.539 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -85.34 -22.08 28.63 Favored 'General case' 0 C--N 1.37 1.496 0 C-N-CA 120.308 -0.557 . . . . 0.93999999999999995 110.302 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -25.38 64.89 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 103.63 -2.73 . . . . 1.3700000000000001 103.63 177.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 162' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 . . . . . 0 C--N 1.388 2.249 0 N-CA-C 101.192 -3.633 . . . . 2.6200000000000001 101.192 -178.635 . . . . . . . . 0 0 . 1 stop_ save_