data_1f5e_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 1f5e _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ' DC' . . . . . 1.123 ' OP2' ' P ' ' A' ' 1' ' ' ' DC' . . . . . . . . 3 P--OP1 0.491 -58.451 3 OP1-P-OP2 65.718 -35.921 . . . . 2.4900000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' DG' . . . . . 0.814 " C5'" ' O ' ' P' ' 44' ' ' ARG . . . . . . . . 5 C3'--C2' 1.382 -13.628 0 C4'-C3'-C2' 106.177 2.977 . . . . 1.55 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' DT' . . . . . 1.134 ' H73' ' C5 ' ' A' ' 3' ' ' ' DT' . . . . . . . . 6 P--O5' 1.472 -12.144 1 P-O3'-C3' 129.563 8.219 . . . . 1.79 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . 0.686 ' N7 ' ' CZ2' ' P' ' 45' ' ' TRP . . . . . . . . 3 C5'--C4' 1.475 -4.542 0 C4'-C3'-C2' 106.036 2.836 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . 0.62 ' N4 ' ' O ' ' P' ' 19' ' ' LYS . . . . . . . . 6 C5'--C4' 1.45 -7.604 0 P-O3'-C3' 122.996 2.746 . . . . 1.3600000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' DG' . . . . . 0.543 ' C8 ' H2'' ' A' ' 5' ' ' ' DC' . . . . . . . . 10 O5'--C5' 1.138 -18.896 2 C4'-C3'-C2' 108.651 5.451 . . . . 2.3300000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' DG' . . . . . 0.646 ' N7 ' ' NZ ' ' P' ' 19' ' ' LYS . . . . . . . . 7 P--O5' 1.481 -11.161 0 P-O3'-C3' 122.088 1.99 . . . . 2.23 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.457 -6.748 0 C1'-O4'-C4' 113.129 2.449 . . . . 2.1099999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' DT' . . . . . 1.13 ' H72' ' C5 ' ' A' ' 9' ' ' ' DT' . . . . . . . . 6 O3'--C3' 1.068 -27.934 1 C4'-C3'-C2' 114.306 11.106 . . . . 2.3199999999999998 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . 1.446 H5'' " C4'" ' A' ' 10' ' ' ' DC' . . . . . . . . 11 O5'--C5' 0.57 -54.371 14 O3'-P-O5' 144.289 21.205 . . . . 3.5800000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 1.093 ' OP1' ' P ' ' B' ' 1' ' ' ' DG' . . . . . . . . 10 P--OP1 0.717 -45.204 7 OP1-P-OP2 70.657 -32.629 . . . . 2.29 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 1.254 ' N3 ' ' NH2' ' P' ' 6' ' ' ARG . . . . . . . . 4 P--O3' 1.426 -15.108 1 P-O3'-C3' 128.45 7.291 . . . . 1.03 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 1.058 ' H71' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 P--O5' 1.573 -1.997 0 C4'-C3'-C2' 104.469 1.269 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.773 ' N4 ' ' N4 ' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 P--O5' 1.568 -2.466 0 C3'-C2'-C1' 99.888 -2.009 . . . . 0.79000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.773 ' N4 ' ' N4 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 3 C3'--C2' 1.386 -13.194 1 C3'-C2'-C1' 111.344 6.174 . . . . 1.3300000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . 0.763 ' N7 ' ' NH2' ' P' ' 20' ' ' ARG . . . . . . . . 7 P--O5' 1.499 -9.377 1 P-O3'-C3' 130.522 9.018 . . . . 1.6200000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.738 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 10 P--O3' 1.383 -18.645 2 P-O3'-C3' 125.814 5.095 . . . . 2.3700000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.74 ' C4 ' ' C5 ' ' B' ' 9' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.492 -3.552 0 P-O3'-C3' 123.669 3.307 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DC' . . . . . 0.74 ' C5 ' ' C4 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 P--O5' 1.558 -3.511 0 C3'-C2'-C1' 105.653 2.109 . . . . 2.6299999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.479 ' C8 ' H2'' ' B' ' 9' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.413 -3.024 0 C3'-C2'-C1' 105.795 2.211 . . . . 2.8399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . 1.51 ' H2 ' ' C ' ' P' ' -1' ' ' GLY . . . . . . . . 3 N--CA 0.496 -64.02 2 CA-C-O 13.327 -59.596 . . . . 8.5899999999999999 162.435 . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' P' P ' 0' ' ' SER . . . . . 1.463 ' H ' ' C ' ' P' ' -1' ' ' GLY 1.473 0.7 OUTLIER -98.42 -70.15 0.73 Allowed 'General case' 4 N--CA 0.591 -43.415 5 O-C-N 172.535 29.02 . . . . 6.9400000000000004 172.524 178.877 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' P' P ' 1' ' ' MET . . . . . 1.657 ' HG3' ' SD ' ' P' ' 1' ' ' MET 0.916 0.4 OUTLIER -151.6 23.87 0.69 Allowed 'General case' 4 N--CA 0.667 -39.618 2 O-C-N 143.262 12.851 . . . . 7.71 107.885 179.819 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' P' P ' 2' ' ' ALA . . . . . 1.304 ' HB3' ' CA ' ' P' ' 2' ' ' ALA . . . -81.71 -59.66 2.52 Favored 'General case' 4 N--CA 0.911 -27.383 1 O-C-N 135.967 8.292 . . . . 4.4800000000000004 102.259 179.265 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' P' P ' 3' ' ' ASP . . . . . 1.591 ' HB3' ' CA ' ' P' ' 3' ' ' ASP 0.586 0.9 OUTLIER -97.57 54.87 1.2 Allowed 'General case' 4 N--CA 1.015 -22.193 1 N-CA-C 122.966 4.432 . . . . 4.3200000000000003 122.966 179.771 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' P' P ' 4' ' ' THR . . . . . 1.471 HG23 ' CB ' ' P' ' 4' ' ' THR 0.527 0.5 OUTLIER -91.05 15.1 12.26 Favored 'General case' 4 C--O 0.776 -23.832 1 N-CA-C 125.096 5.221 . . . . 3.2200000000000002 125.096 -179.742 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 1.328 ' HG2' ' CD ' ' P' ' 5' ' ' ARG . 0.1 OUTLIER -152.92 -171.0 3.79 Favored 'General case' 2 C--N 0.992 -14.962 3 O-C-N 103.203 -12.186 . . . . 2.4900000000000002 114.4 179.601 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' P' P ' 6' ' ' ARG . . . . . 1.254 ' NH2' ' N3 ' ' B' ' 2' ' ' ' DA' . 0.0 OUTLIER 70.4 133.02 0.03 OUTLIER 'General case' 2 C--O 1.126 -5.437 0 N-CA-C 115.031 1.493 . . . . 2.8399999999999999 115.031 178.603 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' P' P ' 7' ' ' ARG . . . . . 1.595 ' HD2' ' CB ' ' P' ' 7' ' ' ARG 0.366 0.2 OUTLIER 79.23 66.93 0.03 OUTLIER 'General case' 4 C--O 1.116 -5.969 1 N-CA-C 128.224 6.379 . . . . 6.0599999999999996 128.224 175.625 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . 0.487 ' NE2' " H3'" ' B' ' 4' ' ' ' DC' . 0.0 OUTLIER -131.38 -55.74 1.02 Allowed 'General case' 3 C--O 0.917 -16.409 0 O-C-N 120.31 -1.494 . . . . 1.99 112.041 176.785 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' P' P ' 9' ' ' ASN . . . . . 0.613 ' C ' ' CD2' ' P' ' 10' ' ' HIS . 0.4 OUTLIER -146.42 2.43 0.85 Allowed 'General case' 1 C--N 1.164 -7.47 3 O-C-N 110.684 -7.51 . . . . 1.71 113.634 -178.489 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' P' P ' 10' ' ' HIS . . . . . 0.613 ' CD2' ' C ' ' P' ' 9' ' ' ASN . 8.1 m-70 67.21 144.34 0.04 OUTLIER 'General case' 0 C--N 1.277 -2.571 0 O-C-N 120.555 -1.34 . . . . 2.9700000000000002 110.796 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 1.06 ' O ' ' NH1' ' P' ' 16' ' ' ARG . 4.9 m -112.56 156.81 22.03 Favored 'General case' 0 C--N 1.287 -2.135 0 O-C-N 121.119 -0.988 . . . . 1.02 111.947 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' CE1' ' P' ' 51' ' ' PHE . 0.0 OUTLIER -71.33 163.23 28.08 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.234 0.54 . . . . 1.22 112.083 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' ASP . . . . . 1.452 ' HB2' ' CZ2' ' P' ' 53' ' ' TRP . 0.0 OUTLIER -44.21 -51.45 19.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.633 0.73 . . . . 1.99 111.79 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' P' ' 13' ' ' ASP . 60.0 Cg_endo -68.48 -26.27 34.52 Favored 'Trans proline' 0 CA--C 1.517 -0.365 0 C-N-CA 122.789 2.326 . . . . 0.65000000000000002 112.12 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' CYS . . . . . 0.545 ' SG ' ' CG ' ' P' ' 41' ' ' ASN . 2.1 m -68.82 -50.9 46.28 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.63 -0.714 . . . . 0.69999999999999996 110.588 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' ARG . . . . . 1.06 ' NH1' ' O ' ' P' ' 11' ' ' SER . 2.6 mtt85 -58.99 -32.45 69.69 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.222 0.534 . . . . 2.2400000000000002 110.151 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' LYS . . . . . 1.586 ' HZ2' ' CE ' ' P' ' 17' ' ' LYS . 0.2 OUTLIER -77.49 -28.16 52.1 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.706 -0.679 . . . . 4.0999999999999996 112.098 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.35 2.46 50.34 Favored Glycine 0 C--O 1.211 -1.311 0 N-CA-C 110.385 -1.086 . . . . 0.54000000000000004 110.385 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' LYS . . . . . 1.195 ' HZ1' ' CE ' ' P' ' 19' ' ' LYS . 11.7 mttt 60.86 66.58 0.89 Allowed 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 120.893 0.377 . . . . 1.46 110.634 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' ARG . . . . . 1.014 ' NH1' ' HG3' ' P' ' 20' ' ' ARG . 0.0 OUTLIER -146.57 138.43 24.7 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 118.718 -1.193 . . . . 2.9300000000000002 113.01 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' ARG . . . . . 1.545 ' HG3' ' CB ' ' P' ' 21' ' ' ARG . 0.0 OUTLIER -73.41 165.4 25.14 Favored 'General case' 0 CA--C 1.479 -1.788 0 CA-C-N 114.863 -1.062 . . . . 2.1899999999999999 109.184 178.257 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' CYS . . . . . . . . . . . . . 2.4 p -160.96 177.26 10.54 Favored 'General case' 0 N--CA 1.4 -2.926 0 N-CA-C 119.435 3.124 . . . . 1.79 119.435 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' P' ' 24' ' ' ALA . 1.4 m-20 -80.82 -53.41 6.51 Favored 'General case' 0 N--CA 1.423 -1.812 0 CA-C-N 114.111 -1.404 . . . . 0.63 110.017 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' ALA . . . . . 1.021 ' HB1' ' CA ' ' P' ' 24' ' ' ALA . . . -38.31 100.1 0.2 Allowed Pre-proline 0 C--O 1.203 -1.38 0 N-CA-C 108.605 -0.887 . . . . 1.1899999999999999 108.605 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' P' ' 27' ' ' ASN . 77.7 Cg_endo -95.05 -167.65 0.14 Allowed 'Trans proline' 1 C--O 1.05 -8.886 0 C-N-CA 124.541 3.494 . . . . 1.04 114.703 -177.626 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.99 -3.44 2.58 Favored 'General case' 1 C--N 1.177 -6.898 1 O-C-N 114.969 -4.832 . . . . 2.21 109.331 179.043 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 1.386 ' OD1' ' CB ' ' P' ' 27' ' ' ASN . 0.0 OUTLIER -122.41 20.67 10.4 Favored 'General case' 0 N--CA 1.406 -2.669 0 CA-C-O 122.074 0.94 . . . . 2.3399999999999999 111.331 179.167 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' ARG . . . . . 0.684 ' NH2' ' HA ' ' P' ' 50' ' ' THR . 0.0 OUTLIER -56.88 -38.42 72.75 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.338 -0.986 . . . . 1.9199999999999999 108.338 178.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' ASN . . . . . 0.545 ' HA ' ' ND2' ' P' ' 32' ' ' ASN . 0.2 OUTLIER -61.24 -54.12 48.15 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.291 -1.003 . . . . 1.9399999999999999 108.291 178.053 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' GLU . . . . . 1.54 ' HG3' ' CB ' ' P' ' 30' ' ' GLU . 1.6 tt0 -62.79 -15.13 52.49 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.014 -0.994 . . . . 1.8200000000000001 108.975 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' ALA . . . . . 0.993 ' HB1' ' CA ' ' P' ' 31' ' ' ALA . . . -72.96 -49.93 26.3 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.072 -1.084 . . . . 1.1000000000000001 108.072 178.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' ASN . . . . . 1.098 ' OD1' ' ND2' ' P' ' 32' ' ' ASN . 0.0 OUTLIER -59.5 -30.09 68.32 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 107.729 -1.211 . . . . 2.1200000000000001 107.729 177.123 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -65.91 -39.41 90.54 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.046 -0.979 . . . . 2.1899999999999999 108.868 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' ASN . . . . . 0.545 ' ND2' ' HA ' ' P' ' 31' ' ' ALA . 0.0 OUTLIER -102.57 20.08 17.8 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.894 1.33 . . . . 1.5600000000000001 108.305 177.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' P' ' 31' ' ' ALA . . . 72.86 101.19 0.07 OUTLIER Glycine 0 C--N 1.298 -1.572 0 CA-C-N 113.436 -1.711 . . . . 0.68999999999999995 113.575 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' TRP . . . . . 0.836 ' CZ3' ' CG1' ' P' ' 37' ' ' VAL . 0.0 OUTLIER -104.53 -124.12 0.21 Allowed 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 108.323 -0.992 . . . . 2.4199999999999999 108.323 178.567 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' VAL . . . . . 1.019 HG13 ' CB ' ' P' ' 37' ' ' VAL . 1.5 p 158.69 -91.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.966 0 O-C-N 121.377 -0.827 . . . . 1.6599999999999999 111.148 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' SER . . . . . 0.572 ' N ' ' CG2' ' P' ' 37' ' ' VAL . 0.1 OUTLIER -156.87 130.73 8.29 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.436 -0.79 . . . . 1.72 110.041 179.604 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' CYS . . . . . 0.768 ' O ' ' HG2' ' P' ' 43' ' ' LYS . 30.2 p -63.66 -169.79 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 109.321 -0.622 . . . . 0.58999999999999997 109.321 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' SER . . . . . 1.11 ' OG ' ' CA ' ' P' ' 40' ' ' SER . 40.8 t -66.15 -32.35 73.74 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.981 0.896 . . . . 1.9199999999999999 111.561 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 41' ' ' ASN . . . . . 0.718 ' OD1' ' CB ' ' P' ' 20' ' ' ARG . 35.8 m-80 -73.36 -78.46 0.09 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.903 -1.044 . . . . 1.05 111.746 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 42' ' ' CYS . . . . . 1.221 ' SG ' ' CB ' ' P' ' 42' ' ' CYS . 0.0 OUTLIER -43.32 -28.03 0.3 Allowed 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 119.34 -0.944 . . . . 1.3 108.897 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 43' ' ' LYS . . . . . 1.562 ' HZ2' ' CE ' ' P' ' 43' ' ' LYS . 12.1 mmtt -65.78 -57.79 7.17 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.555 -0.748 . . . . 2.8999999999999999 111.633 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . 0.814 ' O ' " C5'" ' A' ' 2' ' ' ' DG' . 0.2 OUTLIER -61.48 -33.35 73.62 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 121.548 0.69 . . . . 2.8300000000000001 111.004 -179.462 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 45' ' ' TRP . . . . . 0.686 ' CZ2' ' N7 ' ' A' ' 4' ' ' ' DG' . 14.3 m0 -109.33 23.51 14.39 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.734 -0.666 . . . . 0.65000000000000002 112.543 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 46' ' ' ASN . . . . . 1.42 ' HB2' ' ND2' ' P' ' 46' ' ' ASN . 0.4 OUTLIER 27.89 44.41 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.478 0.656 . . . . 3.1099999999999999 109.723 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 47' ' ' LYS . . . . . 1.398 ' HZ3' ' CE ' ' P' ' 47' ' ' LYS . 15.9 mmmt -72.74 -123.07 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.233 -0.894 . . . . 2.21 111.974 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -150.0 72.64 1.13 Allowed 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 120.473 -0.491 . . . . 2.2999999999999998 112.243 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.07 101.58 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.299 0 N-CA-C 109.931 -0.396 . . . . 0.63 109.931 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 50' ' ' THR . . . . . 1.347 HG22 ' CB ' ' P' ' 50' ' ' THR . 1.5 p -147.13 139.92 25.0 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.817 -1.153 . . . . 1.78 113.984 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 51' ' ' PHE . . . . . 0.633 ' HA ' ' CD1' ' P' ' 54' ' ' LEU . 3.3 m-85 -131.85 23.24 4.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 113.56 -1.655 . . . . 0.70999999999999996 107.819 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 52' ' ' ASN . . . . . 0.608 ' C ' ' N ' ' P' ' 54' ' ' LEU . 0.9 OUTLIER -96.26 -77.86 0.47 Allowed 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 122.065 0.936 . . . . 0.83999999999999997 110.911 -177.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 53' ' ' TRP . . . . . 1.452 ' CZ2' ' HB2' ' P' ' 13' ' ' ASP . 5.0 p-90 -43.47 -27.02 0.24 Allowed 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 106.068 -1.827 . . . . 2.1800000000000002 106.068 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 54' ' ' LEU . . . . . 1.591 HD12 ' CG ' ' P' ' 54' ' ' LEU . 5.4 mt -70.63 -53.73 14.73 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 113.364 -1.743 . . . . 2.98 109.911 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 55' ' ' SER . . . . . 1.113 ' O ' ' HG3' ' P' ' 60' ' ' LYS . 23.3 t -47.67 -22.09 0.46 Allowed 'General case' 0 C--O 1.19 -2.06 0 CA-C-N 114.674 -1.148 . . . . 1.71 108.404 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 56' ' ' SER . . . . . 1.112 ' OG ' ' CA ' ' P' ' 56' ' ' SER . 19.6 m -106.14 -20.54 13.38 Favored 'General case' 0 C--O 1.187 -2.23 0 O-C-N 121.406 -0.809 . . . . 1.6799999999999999 111.299 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 57' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' P' ' 53' ' ' TRP . 0.0 OUTLIER -80.39 -39.42 28.43 Favored 'General case' 0 C--O 1.172 -3.016 0 O-C-N 120.411 -1.431 . . . . 1.3500000000000001 111.372 -179.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 58' ' ' ARG . . . . . 0.696 HH21 ' CD2' ' P' ' 54' ' ' LEU . 0.0 OUTLIER -77.67 -70.06 0.5 Allowed 'General case' 1 C--O 1.069 -8.407 0 O-C-N 121.557 -0.714 . . . . 1.8300000000000001 110.751 -179.12 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' P' P ' 59' ' ' SER . . . . . 1.614 ' HB3' ' CA ' ' P' ' 59' ' ' SER 0.745 12.7 t -114.9 -10.23 12.35 Favored 'General case' 3 CA--C 1.069 -17.546 1 N-CA-C 135.416 9.043 . . . . 3.2599999999999998 135.416 -179.485 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' P' P ' 60' ' ' LYS . . . . . 1.612 ' HD2' ' CG ' ' P' ' 60' ' ' LYS 0.294 1.5 mmpt? -69.27 -158.64 0.03 OUTLIER 'General case' 4 C--O 0.733 -26.112 1 O-C-N 132.877 6.361 . . . . 6.3200000000000003 109.604 -179.596 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' P' P ' 61' ' ' ASN . . . . . 1.585 HD21 ' CB ' ' P' ' 61' ' ' ASN 1.096 0.0 OUTLIER 160.6 143.69 0.01 OUTLIER 'General case' 4 C--O 0.309 -48.402 2 N-CA-C 143.418 12.007 . . . . 6.8099999999999996 143.418 -179.623 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' P' P ' 62' ' ' SER . . . . . 1.575 ' HG ' ' CA ' ' P' ' 63' ' ' SER 1.238 0.9 OUTLIER -157.68 177.67 11.13 Favored 'General case' 4 C--O 0.426 -42.245 5 CA-C-O 66.583 -25.484 . . . . 7.5899999999999999 148.562 -179.932 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' P' P ' 63' ' ' SER . . . . . 1.575 ' CA ' ' HG ' ' P' ' 62' ' ' SER 1.019 30.6 t . . . . . 4 C--O 0.266 -50.679 5 CA-C-O 159.735 18.874 . . . . 9.3699999999999992 138.838 -179.819 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' P' P ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' HOH . . . . . 0.539 ' O ' ' HA ' ' P' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' DC' . . . . . 1.123 ' OP2' ' P ' ' A' ' 1' ' ' ' DC' . . . . . . . . 3 P--OP1 0.491 -58.451 3 OP1-P-OP2 65.718 -35.921 . . . . 2.49 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' DG' . . . . . 0.867 H5'' ' O ' ' P' ' 44' ' ' ARG . . . . . . . . 5 C3'--C2' 1.382 -13.628 0 C4'-C3'-C2' 106.177 2.977 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' DT' . . . . . 0.637 ' H71' ' NE1' ' P' ' 45' ' ' TRP . . . . . . . . 6 P--O5' 1.472 -12.144 1 P-O3'-C3' 129.563 8.219 . . . . 1.79 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . 0.686 ' N7 ' ' CZ2' ' P' ' 45' ' ' TRP . . . . . . . . 3 C5'--C4' 1.475 -4.542 0 C4'-C3'-C2' 106.036 2.836 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . 0.62 ' N4 ' ' O ' ' P' ' 19' ' ' LYS . . . . . . . . 6 C5'--C4' 1.45 -7.604 0 P-O3'-C3' 122.996 2.746 . . . . 1.36 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' DG' . . . . . 0.58 ' C8 ' H2'' ' A' ' 5' ' ' ' DC' . . . . . . . . 10 O5'--C5' 1.138 -18.896 2 C4'-C3'-C2' 108.651 5.451 . . . . 2.33 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' DG' . . . . . 0.646 ' N7 ' ' NZ ' ' P' ' 19' ' ' LYS . . . . . . . . 7 P--O5' 1.481 -11.161 0 P-O3'-C3' 122.088 1.99 . . . . 2.23 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.457 -6.748 0 C1'-O4'-C4' 113.129 2.449 . . . . 2.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' DT' . . . . . 0.825 H2'' ' C6 ' ' A' ' 10' ' ' ' DC' . . . . . . . . 6 O3'--C3' 1.068 -27.934 1 C4'-C3'-C2' 114.306 11.106 . . . . 2.32 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . 0.825 ' C6 ' H2'' ' A' ' 9' ' ' ' DT' . . . . . . . . 11 O5'--C5' 0.57 -54.371 14 O3'-P-O5' 144.289 21.205 . . . . 3.58 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 1.093 ' OP1' ' P ' ' B' ' 1' ' ' ' DG' . . . . . . . . 10 P--OP1 0.717 -45.204 7 OP1-P-OP2 70.657 -32.629 . . . . 2.29 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 1.254 ' N3 ' ' NH2' ' P' ' 6' ' ' ARG . . . . . . . . 4 P--O3' 1.426 -15.108 1 P-O3'-C3' 128.45 7.291 . . . . 0.95 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.976 ' OP2' ' CZ ' ' P' ' 16' ' ' ARG . . . . . . . . 0 P--O5' 1.573 -1.997 0 C4'-C3'-C2' 104.469 1.269 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.781 ' N4 ' ' H41' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 P--O5' 1.568 -2.466 0 C3'-C2'-C1' 99.888 -2.009 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.781 ' H41' ' N4 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 3 C3'--C2' 1.386 -13.194 1 C3'-C2'-C1' 111.344 6.174 . . . . 1.07 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . 0.763 ' N7 ' ' NH2' ' P' ' 20' ' ' ARG . . . . . . . . 7 P--O5' 1.499 -9.377 1 P-O3'-C3' 130.522 9.018 . . . . 1.57 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.818 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 10 P--O3' 1.383 -18.645 2 P-O3'-C3' 125.814 5.095 . . . . 2.37 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.818 ' C8 ' H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.492 -3.552 0 P-O3'-C3' 123.669 3.307 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DC' . . . . . 0.74 ' C5 ' ' C4 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 P--O5' 1.558 -3.511 0 C3'-C2'-C1' 105.653 2.109 . . . . 2.63 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.501 ' C8 ' H2'' ' B' ' 9' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.413 -3.024 0 C3'-C2'-C1' 105.795 2.211 . . . . 2.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' -1' ' ' GLY . . . . . 0.805 ' C ' ' HA3' ' P' ' -1' ' ' GLY . . . . . . . . 3 N--CA 0.496 -64.02 2 CA-C-O 13.327 -59.596 . . . . 8.22 162.435 . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' P' P ' 0' ' ' SER . . . . . 0.409 ' HA ' ' CA ' ' P' ' -1' ' ' GLY 1.473 0.7 OUTLIER -98.42 -70.15 0.73 Allowed 'General case' 4 N--CA 0.591 -43.415 5 O-C-N 172.535 29.02 . . . . 6.74 172.524 178.877 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' P' P ' 1' ' ' MET . . . . . 0.511 ' CA ' ' HB ' ' P' ' 4' ' ' THR 0.916 0.4 OUTLIER -151.6 23.87 0.69 Allowed 'General case' 4 N--CA 0.667 -39.618 2 O-C-N 143.262 12.851 . . . . 7.39 107.885 179.819 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' P' P ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.71 -59.66 2.52 Favored 'General case' 4 N--CA 0.911 -27.383 1 O-C-N 135.967 8.292 . . . . 4.18 102.259 179.265 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' P' P ' 3' ' ' ASP . . . . . 1.344 ' CG ' ' CA ' ' P' ' 3' ' ' ASP 0.586 0.9 OUTLIER -97.57 54.87 1.2 Allowed 'General case' 4 N--CA 1.015 -22.193 1 N-CA-C 122.966 4.432 . . . . 4.32 122.966 179.771 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' P' P ' 4' ' ' THR . . . . . 0.893 ' O ' HG23 ' P' ' 4' ' ' THR 0.527 0.5 OUTLIER -91.05 15.1 12.26 Favored 'General case' 4 C--O 0.776 -23.832 1 N-CA-C 125.096 5.221 . . . . 3.05 125.096 -179.742 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 1.322 ' CD ' ' CB ' ' P' ' 5' ' ' ARG . 0.1 OUTLIER -152.92 -171.0 3.79 Favored 'General case' 2 C--N 0.992 -14.962 3 O-C-N 103.203 -12.186 . . . . 2.01 114.4 179.601 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' P' P ' 6' ' ' ARG . . . . . 1.254 ' NH2' ' N3 ' ' B' ' 2' ' ' ' DA' . 0.0 OUTLIER 70.4 133.02 0.03 OUTLIER 'General case' 2 C--O 1.126 -5.437 0 N-CA-C 115.031 1.493 . . . . 2.15 115.031 178.603 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' P' P ' 7' ' ' ARG . . . . . 0.612 ' CB ' ' O ' ' P' ' 6' ' ' ARG 0.366 0.2 OUTLIER 79.23 66.93 0.03 OUTLIER 'General case' 4 C--O 1.116 -5.969 1 N-CA-C 128.224 6.379 . . . . 5.39 128.224 175.625 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' P' P ' 8' ' ' GLN . . . . . 1.383 ' NE2' ' CG ' ' P' ' 8' ' ' GLN . 1.4 tt0 -131.38 -55.74 1.02 Allowed 'General case' 3 C--O 0.917 -16.409 0 O-C-N 120.31 -1.494 . . . . 1.99 112.041 176.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 9' ' ' ASN . . . . . 0.613 ' C ' ' CD2' ' P' ' 10' ' ' HIS . 18.0 p30 -146.42 2.43 0.85 Allowed 'General case' 1 C--N 1.164 -7.47 3 O-C-N 110.684 -7.51 . . . . 1.71 113.634 -178.489 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' P' P ' 10' ' ' HIS . . . . . 0.613 ' CD2' ' C ' ' P' ' 9' ' ' ASN . 8.1 m-70 67.21 144.34 0.04 OUTLIER 'General case' 0 C--N 1.277 -2.571 0 O-C-N 120.555 -1.34 . . . . 2.43 110.796 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 11' ' ' SER . . . . . 1.06 ' O ' ' NH1' ' P' ' 16' ' ' ARG . 4.9 m -112.56 156.81 22.03 Favored 'General case' 0 C--N 1.287 -2.135 0 O-C-N 121.119 -0.988 . . . . 1.02 111.947 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 12' ' ' CYS . . . . . 0.846 ' HB2' ' HD2' ' P' ' 14' ' ' PRO . 0.0 OUTLIER -71.33 163.23 28.08 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.234 0.54 . . . . 0.86 112.083 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 13' ' ' ASP . . . . . 1.653 ' HB2' ' CZ2' ' P' ' 53' ' ' TRP . 0.0 OUTLIER -44.21 -51.45 19.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.633 0.73 . . . . 1.99 111.79 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 14' ' ' PRO . . . . . 0.846 ' HD2' ' HB2' ' P' ' 12' ' ' CYS . 60.0 Cg_endo -68.48 -26.27 34.52 Favored 'Trans proline' 0 CA--C 1.517 -0.365 0 C-N-CA 122.789 2.326 . . . . 0.54 112.12 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 15' ' ' CYS . . . . . 0.719 ' HB3' ' HB3' ' P' ' 11' ' ' SER . 2.1 m -68.82 -50.9 46.28 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.63 -0.714 . . . . 0.7 110.588 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 16' ' ' ARG . . . . . 1.06 ' NH1' ' O ' ' P' ' 11' ' ' SER . 2.6 mtt85 -58.99 -32.45 69.69 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.222 0.534 . . . . 1.94 110.151 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -28.16 52.1 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.706 -0.679 . . . . 3.6 112.098 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.35 2.46 50.34 Favored Glycine 0 C--O 1.211 -1.311 0 N-CA-C 110.385 -1.086 . . . . 0.53 110.385 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 19' ' ' LYS . . . . . 0.646 ' NZ ' ' N7 ' ' A' ' 7' ' ' ' DG' . 11.7 mttt 60.86 66.58 0.89 Allowed 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 120.893 0.377 . . . . 0.77 110.634 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 20' ' ' ARG . . . . . 1.076 ' HG3' ' NH1' ' P' ' 20' ' ' ARG . 0.0 OUTLIER -146.57 138.43 24.7 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 118.718 -1.193 . . . . 2.24 113.01 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 21' ' ' ARG . . . . . 0.564 ' NH2' ' OP2' ' B' ' 5' ' ' ' DC' . 0.0 OUTLIER -73.41 165.4 25.14 Favored 'General case' 0 CA--C 1.479 -1.788 0 CA-C-N 114.863 -1.062 . . . . 1.49 109.184 178.257 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 22' ' ' CYS . . . . . . . . . . . . . 2.4 p -160.96 177.26 10.54 Favored 'General case' 0 N--CA 1.4 -2.926 0 N-CA-C 119.435 3.124 . . . . 1.1 119.435 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' P' ' 24' ' ' ALA . 1.4 m-20 -80.82 -53.41 6.51 Favored 'General case' 0 N--CA 1.423 -1.812 0 CA-C-N 114.111 -1.404 . . . . 0.63 110.017 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 24' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' P' ' 23' ' ' ASP . . . -38.31 100.1 0.2 Allowed Pre-proline 0 C--O 1.203 -1.38 0 N-CA-C 108.605 -0.887 . . . . 0.56 108.605 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 25' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' P' ' 9' ' ' ASN . 77.7 Cg_endo -95.05 -167.65 0.14 Allowed 'Trans proline' 1 C--O 1.05 -8.886 0 C-N-CA 124.541 3.494 . . . . 1.04 114.703 -177.626 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.99 -3.44 2.58 Favored 'General case' 1 C--N 1.177 -6.898 1 O-C-N 114.969 -4.832 . . . . 2.21 109.331 179.043 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 1.515 ' ND2' ' CB ' ' P' ' 27' ' ' ASN . 0.0 OUTLIER -122.41 20.67 10.4 Favored 'General case' 0 N--CA 1.406 -2.669 0 CA-C-O 122.074 0.94 . . . . 1.99 111.331 179.167 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 28' ' ' ARG . . . . . 0.931 HH21 ' HA ' ' P' ' 50' ' ' THR . 0.0 OUTLIER -56.88 -38.42 72.75 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.338 -0.986 . . . . 1.47 108.338 178.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 29' ' ' ASN . . . . . 0.402 ' HA ' ' OD1' ' P' ' 32' ' ' ASN . 0.2 OUTLIER -61.24 -54.12 48.15 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.291 -1.003 . . . . 1.94 108.291 178.053 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 30' ' ' GLU . . . . . 1.084 ' OE1' ' CG ' ' P' ' 30' ' ' GLU . 1.6 tt0 -62.79 -15.13 52.49 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.014 -0.994 . . . . 1.49 108.975 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 31' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' P' ' 28' ' ' ARG . . . -72.96 -49.93 26.3 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.072 -1.084 . . . . 0.4 108.072 178.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 32' ' ' ASN . . . . . 1.271 HD21 ' CA ' ' P' ' 32' ' ' ASN . 0.3 OUTLIER -59.5 -30.09 68.32 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 107.729 -1.211 . . . . 2.12 107.729 177.123 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -65.91 -39.41 90.54 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.046 -0.979 . . . . 2.19 108.868 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' ASN . . . . . 0.558 ' ND2' ' HA ' ' P' ' 31' ' ' ALA . 0.0 OUTLIER -102.57 20.08 17.8 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.894 1.33 . . . . 1.56 108.305 177.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 35' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' P' ' 31' ' ' ALA . . . 72.86 101.19 0.07 OUTLIER Glycine 0 C--N 1.298 -1.572 0 CA-C-N 113.436 -1.711 . . . . 0.56 113.575 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 36' ' ' TRP . . . . . 0.93 ' CE3' HG12 ' P' ' 37' ' ' VAL . 0.0 OUTLIER -104.53 -124.12 0.21 Allowed 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 108.323 -0.992 . . . . 1.91 108.323 178.567 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 37' ' ' VAL . . . . . 0.93 HG12 ' CE3' ' P' ' 36' ' ' TRP . 1.5 p 158.69 -91.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.966 0 O-C-N 121.377 -0.827 . . . . 0.93 111.148 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 38' ' ' SER . . . . . 0.87 ' H ' HG13 ' P' ' 37' ' ' VAL . 0.1 OUTLIER -156.87 130.73 8.29 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.436 -0.79 . . . . 1.24 110.041 179.604 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 39' ' ' CYS . . . . . 0.737 ' O ' ' CG ' ' P' ' 43' ' ' LYS . 30.2 p -63.66 -169.79 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 109.321 -0.622 . . . . 0.47 109.321 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 40' ' ' SER . . . . . 1.11 ' OG ' ' CA ' ' P' ' 40' ' ' SER . 40.8 t -66.15 -32.35 73.74 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.981 0.896 . . . . 1.72 111.561 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 41' ' ' ASN . . . . . 0.757 ' OD1' ' HB3' ' P' ' 20' ' ' ARG . 35.8 m-80 -73.36 -78.46 0.09 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.903 -1.044 . . . . 1.05 111.746 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 42' ' ' CYS . . . . . 1.221 ' CB ' ' SG ' ' P' ' 42' ' ' CYS . 0.0 OUTLIER -43.32 -28.03 0.3 Allowed 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 119.34 -0.944 . . . . 1.05 108.897 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 43' ' ' LYS . . . . . 0.737 ' CG ' ' O ' ' P' ' 39' ' ' CYS . 12.1 mmtt -65.78 -57.79 7.17 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.555 -0.748 . . . . 2.34 111.633 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 44' ' ' ARG . . . . . 0.867 ' O ' H5'' ' A' ' 2' ' ' ' DG' . 0.2 OUTLIER -61.48 -33.35 73.62 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 121.548 0.69 . . . . 2.19 111.004 -179.462 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 45' ' ' TRP . . . . . 0.686 ' CZ2' ' N7 ' ' A' ' 4' ' ' ' DG' . 14.3 m0 -109.33 23.51 14.39 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.734 -0.666 . . . . 0.57 112.543 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 46' ' ' ASN . . . . . 1.248 ' CG ' ' CA ' ' P' ' 46' ' ' ASN . 0.4 OUTLIER 27.89 44.41 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.478 0.656 . . . . 2.46 109.723 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 47' ' ' LYS . . . . . 0.74 ' HB2' ' HA ' ' P' ' 42' ' ' CYS . 15.9 mmmt -72.74 -123.07 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.233 -0.894 . . . . 1.71 111.974 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -150.0 72.64 1.13 Allowed 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 120.473 -0.491 . . . . 2.3 112.243 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 49' ' ' CYS . . . . . 0.412 ' O ' HG23 ' P' ' 50' ' ' THR . 0.5 OUTLIER -43.07 101.58 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.299 0 N-CA-C 109.931 -0.396 . . . . 0.63 109.931 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 50' ' ' THR . . . . . 0.931 ' HA ' HH21 ' P' ' 28' ' ' ARG . 1.5 p -147.13 139.92 25.0 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.817 -1.153 . . . . 1.19 113.984 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 51' ' ' PHE . . . . . 0.706 ' CD1' ' HD3' ' P' ' 28' ' ' ARG . 3.3 m-85 -131.85 23.24 4.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 113.56 -1.655 . . . . 0.56 107.819 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 52' ' ' ASN . . . . . 0.608 ' C ' ' N ' ' P' ' 54' ' ' LEU . 3.2 m120 -96.26 -77.86 0.47 Allowed 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 122.065 0.936 . . . . 0.84 110.911 -177.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 53' ' ' TRP . . . . . 1.653 ' CZ2' ' HB2' ' P' ' 13' ' ' ASP . 5.0 p-90 -43.47 -27.02 0.24 Allowed 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 106.068 -1.827 . . . . 1.91 106.068 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 54' ' ' LEU . . . . . 0.73 ' CD2' HH21 ' P' ' 58' ' ' ARG . 5.4 mt -70.63 -53.73 14.73 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 113.364 -1.743 . . . . 2.46 109.911 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 55' ' ' SER . . . . . 1.247 ' O ' ' HG3' ' P' ' 60' ' ' LYS . 23.3 t -47.67 -22.09 0.46 Allowed 'General case' 0 C--O 1.19 -2.06 0 CA-C-N 114.674 -1.148 . . . . 1.31 108.404 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 56' ' ' SER . . . . . 1.112 ' OG ' ' CA ' ' P' ' 56' ' ' SER . 19.6 m -106.14 -20.54 13.38 Favored 'General case' 0 C--O 1.187 -2.23 0 O-C-N 121.406 -0.809 . . . . 1.49 111.299 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 57' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' P' ' 53' ' ' TRP . 2.7 tm0? -80.39 -39.42 28.43 Favored 'General case' 0 C--O 1.172 -3.016 0 O-C-N 120.411 -1.431 . . . . 1.3 111.372 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 58' ' ' ARG . . . . . 0.73 HH21 ' CD2' ' P' ' 54' ' ' LEU . 0.0 OUTLIER -77.67 -70.06 0.5 Allowed 'General case' 1 C--O 1.069 -8.407 0 O-C-N 121.557 -0.714 . . . . 1.83 110.751 -179.12 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' P' P ' 59' ' ' SER . . . . . . . . . . . . 0.745 12.7 t -114.9 -10.23 12.35 Favored 'General case' 3 CA--C 1.069 -17.546 1 N-CA-C 135.416 9.043 . . . . 3.19 135.416 -179.485 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' P' P ' 60' ' ' LYS . . . . . 1.247 ' HG3' ' O ' ' P' ' 55' ' ' SER 0.294 1.5 mmpt? -69.27 -158.64 0.03 OUTLIER 'General case' 4 C--O 0.733 -26.112 1 O-C-N 132.877 6.361 . . . . 5.87 109.604 -179.596 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' P' P ' 61' ' ' ASN . . . . . . . . . . . . 1.096 0.0 OUTLIER 160.6 143.69 0.01 OUTLIER 'General case' 4 C--O 0.309 -48.402 2 N-CA-C 143.418 12.007 . . . . 6.26 143.418 -179.623 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' P' P ' 62' ' ' SER . . . . . . . . . . . . 1.238 0.9 OUTLIER -157.68 177.67 11.13 Favored 'General case' 4 C--O 0.426 -42.245 5 CA-C-O 66.583 -25.484 . . . . 7.59 148.562 -179.932 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' P' P ' 63' ' ' SER . . . . . . . . . . . . 1.019 30.6 t . . . . . 4 C--O 0.266 -50.679 5 CA-C-O 159.735 18.874 . . . . 9.37 138.838 -179.819 . . . . . . . . 3 1 . 1 . 001 nuclear build full ' P' P ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 70' ' ' HOH . . . . . 0.567 ' O ' ' HA ' ' P' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' DC' . . . . . 1.123 ' OP2' ' P ' ' A' ' 1' ' ' ' DC' . . . . . . . . 3 P--OP1 0.491 -58.451 3 OP1-P-OP2 65.718 -35.921 . . . . 2.4900000000000002 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' DG' . . . . . 0.867 H5'' ' O ' ' P' ' 44' ' ' ARG . . . . . . . . 5 C3'--C2' 1.382 -13.628 0 C4'-C3'-C2' 106.177 2.977 . . . . 1.25 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' DT' . . . . . 0.637 ' H71' ' NE1' ' P' ' 45' ' ' TRP . . . . . . . . 6 P--O5' 1.472 -12.144 1 P-O3'-C3' 129.563 8.219 . . . . 1.79 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . 0.686 ' N7 ' ' CZ2' ' P' ' 45' ' ' TRP . . . . . . . . 3 C5'--C4' 1.475 -4.542 0 C4'-C3'-C2' 106.036 2.836 . . . . 1.27 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . 0.62 ' N4 ' ' O ' ' P' ' 19' ' ' LYS . . . . . . . . 6 C5'--C4' 1.45 -7.604 0 P-O3'-C3' 122.996 2.746 . . . . 1.3600000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' DG' . . . . . 0.58 ' C8 ' H2'' ' A' ' 5' ' ' ' DC' . . . . . . . . 10 O5'--C5' 1.138 -18.896 2 C4'-C3'-C2' 108.651 5.451 . . . . 2.3300000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' DG' . . . . . 0.646 ' N7 ' ' NZ ' ' P' ' 19' ' ' LYS . . . . . . . . 7 P--O5' 1.481 -11.161 0 P-O3'-C3' 122.088 1.99 . . . . 2.23 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 4 C5'--C4' 1.457 -6.748 0 C1'-O4'-C4' 113.129 2.449 . . . . 2.1099999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' DT' . . . . . 0.825 H2'' ' C6 ' ' A' ' 10' ' ' ' DC' . . . . . . . . 6 O3'--C3' 1.068 -27.934 1 C4'-C3'-C2' 114.306 11.106 . . . . 2.3199999999999998 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . 0.825 ' C6 ' H2'' ' A' ' 9' ' ' ' DT' . . . . . . . . 11 O5'--C5' 0.57 -54.371 14 O3'-P-O5' 144.289 21.205 . . . . 3.5800000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 1.093 ' OP1' ' P ' ' B' ' 1' ' ' ' DG' . . . . . . . . 10 P--OP1 0.717 -45.204 7 OP1-P-OP2 70.657 -32.629 . . . . 2.29 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 1.254 ' N3 ' ' NH2' ' P' ' 6' ' ' ARG . . . . . . . . 4 P--O3' 1.426 -15.108 1 P-O3'-C3' 128.45 7.291 . . . . 0.94999999999999996 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.976 ' OP2' ' CZ ' ' P' ' 16' ' ' ARG . . . . . . . . 0 P--O5' 1.573 -1.997 0 C4'-C3'-C2' 104.469 1.269 . . . . 0.71999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.781 ' N4 ' ' H41' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 P--O5' 1.568 -2.466 0 C3'-C2'-C1' 99.888 -2.009 . . . . 0.79000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.781 ' H41' ' N4 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 3 C3'--C2' 1.386 -13.194 1 C3'-C2'-C1' 111.344 6.174 . . . . 1.0700000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . 0.763 ' N7 ' ' NH2' ' P' ' 20' ' ' ARG . . . . . . . . 7 P--O5' 1.499 -9.377 1 P-O3'-C3' 130.522 9.018 . . . . 1.5700000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.818 H2'' ' C8 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 10 P--O3' 1.383 -18.645 2 P-O3'-C3' 125.814 5.095 . . . . 2.3700000000000001 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.818 ' C8 ' H2'' ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.492 -3.552 0 P-O3'-C3' 123.669 3.307 . . . . 2.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DC' . . . . . 0.74 ' C5 ' ' C4 ' ' B' ' 8' ' ' ' DA' . . . . . . . . 0 P--O5' 1.558 -3.511 0 C3'-C2'-C1' 105.653 2.109 . . . . 2.6299999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.501 ' C8 ' H2'' ' B' ' 9' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.413 -3.024 0 C3'-C2'-C1' 105.795 2.211 . . . . 2.8399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . 0.805 ' C ' ' HA3' ' P' ' -1' ' ' GLY . . . . . . . . 3 N--CA 0.496 -64.02 2 CA-C-O 13.327 -59.596 . . . . 8.2200000000000006 162.435 . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . 0.409 ' HA ' ' CA ' ' P' ' -1' ' ' GLY 1.473 0.7 OUTLIER -98.42 -70.15 0.73 Allowed 'General case' 4 N--CA 0.591 -43.415 5 O-C-N 172.535 29.02 . . . . 6.7400000000000002 172.524 178.877 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' P' P ' 1' ' ' MET . . . . . 0.511 ' CA ' ' HB ' ' P' ' 4' ' ' THR 0.916 0.4 OUTLIER -151.6 23.87 0.69 Allowed 'General case' 4 N--CA 0.667 -39.618 2 O-C-N 143.262 12.851 . . . . 7.3899999999999997 107.885 179.819 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' P' P ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.71 -59.66 2.52 Favored 'General case' 4 N--CA 0.911 -27.383 1 O-C-N 135.967 8.292 . . . . 4.1799999999999997 102.259 179.265 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' P' P ' 3' ' ' ASP . . . . . 1.344 ' CG ' ' CA ' ' P' ' 3' ' ' ASP 0.586 0.9 OUTLIER -97.57 54.87 1.2 Allowed 'General case' 4 N--CA 1.015 -22.193 1 N-CA-C 122.966 4.432 . . . . 4.3200000000000003 122.966 179.771 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' P' P ' 4' ' ' THR . . . . . 0.893 ' O ' HG23 ' P' ' 4' ' ' THR 0.527 0.5 OUTLIER -91.05 15.1 12.26 Favored 'General case' 4 C--O 0.776 -23.832 1 N-CA-C 125.096 5.221 . . . . 3.0499999999999998 125.096 -179.742 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 1.322 ' CD ' ' CB ' ' P' ' 5' ' ' ARG . 0.1 OUTLIER -152.92 -171.0 3.79 Favored 'General case' 2 C--N 0.992 -14.962 3 O-C-N 103.203 -12.186 . . . . 2.0099999999999998 114.4 179.601 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' P' P ' 6' ' ' ARG . . . . . 1.254 ' NH2' ' N3 ' ' B' ' 2' ' ' ' DA' . 0.0 OUTLIER 70.4 133.02 0.03 OUTLIER 'General case' 2 C--O 1.126 -5.437 0 N-CA-C 115.031 1.493 . . . . 2.1499999999999999 115.031 178.603 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' P' P ' 7' ' ' ARG . . . . . 0.612 ' CB ' ' O ' ' P' ' 6' ' ' ARG 0.366 0.2 OUTLIER 79.23 66.93 0.03 OUTLIER 'General case' 4 C--O 1.116 -5.969 1 N-CA-C 128.224 6.379 . . . . 5.3899999999999997 128.224 175.625 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . 0.726 ' HB2' H5'' ' B' ' 4' ' ' ' DC' . 0.0 OUTLIER -131.38 -55.74 1.02 Allowed 'General case' 3 C--O 0.917 -16.409 0 O-C-N 120.31 -1.494 . . . . 1.99 112.041 176.785 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' P' P ' 9' ' ' ASN . . . . . 0.613 ' C ' ' CD2' ' P' ' 10' ' ' HIS . 0.4 OUTLIER -146.42 2.43 0.85 Allowed 'General case' 1 C--N 1.164 -7.47 3 O-C-N 110.684 -7.51 . . . . 1.71 113.634 -178.489 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' P' P ' 10' ' ' HIS . . . . . 0.613 ' CD2' ' C ' ' P' ' 9' ' ' ASN . 8.1 m-70 67.21 144.34 0.04 OUTLIER 'General case' 0 C--N 1.277 -2.571 0 O-C-N 120.555 -1.34 . . . . 2.4300000000000002 110.796 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 1.06 ' O ' ' NH1' ' P' ' 16' ' ' ARG . 4.9 m -112.56 156.81 22.03 Favored 'General case' 0 C--N 1.287 -2.135 0 O-C-N 121.119 -0.988 . . . . 1.02 111.947 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . 0.846 ' HB2' ' HD2' ' P' ' 14' ' ' PRO . 0.0 OUTLIER -71.33 163.23 28.08 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.234 0.54 . . . . 0.85999999999999999 112.083 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' ASP . . . . . 1.653 ' HB2' ' CZ2' ' P' ' 53' ' ' TRP . 0.0 OUTLIER -44.21 -51.45 19.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.633 0.73 . . . . 1.99 111.79 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' PRO . . . . . 0.846 ' HD2' ' HB2' ' P' ' 12' ' ' CYS . 60.0 Cg_endo -68.48 -26.27 34.52 Favored 'Trans proline' 0 CA--C 1.517 -0.365 0 C-N-CA 122.789 2.326 . . . . 0.54000000000000004 112.12 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' CYS . . . . . 0.719 ' HB3' ' HB3' ' P' ' 11' ' ' SER . 2.1 m -68.82 -50.9 46.28 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.63 -0.714 . . . . 0.69999999999999996 110.588 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' ARG . . . . . 1.06 ' NH1' ' O ' ' P' ' 11' ' ' SER . 2.6 mtt85 -58.99 -32.45 69.69 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.222 0.534 . . . . 1.9399999999999999 110.151 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -28.16 52.1 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.706 -0.679 . . . . 3.6000000000000001 112.098 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.35 2.46 50.34 Favored Glycine 0 C--O 1.211 -1.311 0 N-CA-C 110.385 -1.086 . . . . 0.53000000000000003 110.385 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' LYS . . . . . 0.646 ' NZ ' ' N7 ' ' A' ' 7' ' ' ' DG' . 11.7 mttt 60.86 66.58 0.89 Allowed 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 120.893 0.377 . . . . 0.77000000000000002 110.634 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' ARG . . . . . 1.076 ' NH1' ' HG3' ' P' ' 20' ' ' ARG . 0.0 OUTLIER -146.57 138.43 24.7 Favored 'General case' 0 N--CA 1.432 -1.343 0 C-N-CA 118.718 -1.193 . . . . 2.2400000000000002 113.01 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' ARG . . . . . 0.564 ' NH2' ' OP2' ' B' ' 5' ' ' ' DC' . 0.0 OUTLIER -73.41 165.4 25.14 Favored 'General case' 0 CA--C 1.479 -1.788 0 CA-C-N 114.863 -1.062 . . . . 1.49 109.184 178.257 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' CYS . . . . . . . . . . . . . 2.4 p -160.96 177.26 10.54 Favored 'General case' 0 N--CA 1.4 -2.926 0 N-CA-C 119.435 3.124 . . . . 1.1000000000000001 119.435 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' P' ' 24' ' ' ALA . 1.4 m-20 -80.82 -53.41 6.51 Favored 'General case' 0 N--CA 1.423 -1.812 0 CA-C-N 114.111 -1.404 . . . . 0.63 110.017 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' P' ' 23' ' ' ASP . . . -38.31 100.1 0.2 Allowed Pre-proline 0 C--O 1.203 -1.38 0 N-CA-C 108.605 -0.887 . . . . 0.56000000000000005 108.605 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' PRO . . . . . 0.463 ' HA ' ' O ' ' P' ' 9' ' ' ASN . 77.7 Cg_endo -95.05 -167.65 0.14 Allowed 'Trans proline' 1 C--O 1.05 -8.886 0 C-N-CA 124.541 3.494 . . . . 1.04 114.703 -177.626 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.99 -3.44 2.58 Favored 'General case' 1 C--N 1.177 -6.898 1 O-C-N 114.969 -4.832 . . . . 2.21 109.331 179.043 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 1.386 ' OD1' ' CB ' ' P' ' 27' ' ' ASN . 0.0 OUTLIER -122.41 20.67 10.4 Favored 'General case' 0 N--CA 1.406 -2.669 0 CA-C-O 122.074 0.94 . . . . 1.99 111.331 179.167 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' ARG . . . . . 0.931 HH21 ' HA ' ' P' ' 50' ' ' THR . 0.0 OUTLIER -56.88 -38.42 72.75 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.338 -0.986 . . . . 1.47 108.338 178.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' ASN . . . . . 0.552 ' HA ' ' ND2' ' P' ' 32' ' ' ASN . 0.2 OUTLIER -61.24 -54.12 48.15 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.291 -1.003 . . . . 1.9399999999999999 108.291 178.053 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' GLU . . . . . 1.084 ' OE1' ' CG ' ' P' ' 30' ' ' GLU . 1.6 tt0 -62.79 -15.13 52.49 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.014 -0.994 . . . . 1.49 108.975 178.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' P' ' 28' ' ' ARG . . . -72.96 -49.93 26.3 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.072 -1.084 . . . . 0.40000000000000002 108.072 178.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' ASN . . . . . 1.098 ' OD1' ' ND2' ' P' ' 32' ' ' ASN . 0.0 OUTLIER -59.5 -30.09 68.32 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 107.729 -1.211 . . . . 2.1200000000000001 107.729 177.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -65.91 -39.41 90.54 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.046 -0.979 . . . . 2.1899999999999999 108.868 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' ASN . . . . . 0.558 ' ND2' ' HA ' ' P' ' 31' ' ' ALA . 0.0 OUTLIER -102.57 20.08 17.8 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.894 1.33 . . . . 1.5600000000000001 108.305 177.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' GLY . . . . . 0.604 ' N ' ' O ' ' P' ' 31' ' ' ALA . . . 72.86 101.19 0.07 OUTLIER Glycine 0 C--N 1.298 -1.572 0 CA-C-N 113.436 -1.711 . . . . 0.56000000000000005 113.575 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' TRP . . . . . 0.93 ' CE3' HG12 ' P' ' 37' ' ' VAL . 0.0 OUTLIER -104.53 -124.12 0.21 Allowed 'General case' 0 C--O 1.198 -1.623 0 N-CA-C 108.323 -0.992 . . . . 1.9099999999999999 108.323 178.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' VAL . . . . . 0.93 HG12 ' CE3' ' P' ' 36' ' ' TRP . 1.5 p 158.69 -91.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.966 0 O-C-N 121.377 -0.827 . . . . 0.93000000000000005 111.148 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' SER . . . . . 0.87 ' H ' HG13 ' P' ' 37' ' ' VAL . 0.1 OUTLIER -156.87 130.73 8.29 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.436 -0.79 . . . . 1.24 110.041 179.604 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' CYS . . . . . 0.737 ' O ' ' CG ' ' P' ' 43' ' ' LYS . 30.2 p -63.66 -169.79 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 109.321 -0.622 . . . . 0.46999999999999997 109.321 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' SER . . . . . 1.11 ' OG ' ' CA ' ' P' ' 40' ' ' SER . 40.8 t -66.15 -32.35 73.74 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-O 121.981 0.896 . . . . 1.72 111.561 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 41' ' ' ASN . . . . . 0.757 ' OD1' ' HB3' ' P' ' 20' ' ' ARG . 35.8 m-80 -73.36 -78.46 0.09 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.903 -1.044 . . . . 1.05 111.746 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 42' ' ' CYS . . . . . 1.221 ' SG ' ' CB ' ' P' ' 42' ' ' CYS . 0.0 OUTLIER -43.32 -28.03 0.3 Allowed 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 119.34 -0.944 . . . . 1.05 108.897 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 43' ' ' LYS . . . . . 0.737 ' CG ' ' O ' ' P' ' 39' ' ' CYS . 12.1 mmtt -65.78 -57.79 7.17 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.555 -0.748 . . . . 2.3399999999999999 111.633 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . 0.867 ' O ' H5'' ' A' ' 2' ' ' ' DG' . 0.2 OUTLIER -61.48 -33.35 73.62 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 121.548 0.69 . . . . 2.1899999999999999 111.004 -179.462 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 45' ' ' TRP . . . . . 0.686 ' CZ2' ' N7 ' ' A' ' 4' ' ' ' DG' . 14.3 m0 -109.33 23.51 14.39 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 115.734 -0.666 . . . . 0.56999999999999995 112.543 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 46' ' ' ASN . . . . . 1.248 ' CG ' ' CA ' ' P' ' 46' ' ' ASN . 0.4 OUTLIER 27.89 44.41 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.478 0.656 . . . . 2.46 109.723 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 47' ' ' LYS . . . . . 0.74 ' HB2' ' HA ' ' P' ' 42' ' ' CYS . 15.9 mmmt -72.74 -123.07 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.233 -0.894 . . . . 1.71 111.974 -177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -150.0 72.64 1.13 Allowed 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 120.473 -0.491 . . . . 2.2999999999999998 112.243 -178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 49' ' ' CYS . . . . . 0.412 ' O ' HG23 ' P' ' 50' ' ' THR . 0.5 OUTLIER -43.07 101.58 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.299 0 N-CA-C 109.931 -0.396 . . . . 0.63 109.931 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 50' ' ' THR . . . . . 0.931 ' HA ' HH21 ' P' ' 28' ' ' ARG . 1.5 p -147.13 139.92 25.0 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.817 -1.153 . . . . 1.1899999999999999 113.984 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 51' ' ' PHE . . . . . 0.706 ' CD1' ' HD3' ' P' ' 28' ' ' ARG . 3.3 m-85 -131.85 23.24 4.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 113.56 -1.655 . . . . 0.56000000000000005 107.819 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 52' ' ' ASN . . . . . 0.608 ' C ' ' N ' ' P' ' 54' ' ' LEU . 0.9 OUTLIER -96.26 -77.86 0.47 Allowed 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 122.065 0.936 . . . . 0.83999999999999997 110.911 -177.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 53' ' ' TRP . . . . . 1.653 ' CZ2' ' HB2' ' P' ' 13' ' ' ASP . 5.0 p-90 -43.47 -27.02 0.24 Allowed 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 106.068 -1.827 . . . . 1.9099999999999999 106.068 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 54' ' ' LEU . . . . . 0.73 ' CD2' HH21 ' P' ' 58' ' ' ARG . 5.4 mt -70.63 -53.73 14.73 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 113.364 -1.743 . . . . 2.46 109.911 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 55' ' ' SER . . . . . 1.247 ' O ' ' HG3' ' P' ' 60' ' ' LYS . 23.3 t -47.67 -22.09 0.46 Allowed 'General case' 0 C--O 1.19 -2.06 0 CA-C-N 114.674 -1.148 . . . . 1.3100000000000001 108.404 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 56' ' ' SER . . . . . 1.112 ' OG ' ' CA ' ' P' ' 56' ' ' SER . 19.6 m -106.14 -20.54 13.38 Favored 'General case' 0 C--O 1.187 -2.23 0 O-C-N 121.406 -0.809 . . . . 1.49 111.299 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 57' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' P' ' 53' ' ' TRP . 0.0 OUTLIER -80.39 -39.42 28.43 Favored 'General case' 0 C--O 1.172 -3.016 0 O-C-N 120.411 -1.431 . . . . 1.3 111.372 -179.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 58' ' ' ARG . . . . . 0.73 HH21 ' CD2' ' P' ' 54' ' ' LEU . 0.0 OUTLIER -77.67 -70.06 0.5 Allowed 'General case' 1 C--O 1.069 -8.407 0 O-C-N 121.557 -0.714 . . . . 1.8300000000000001 110.751 -179.12 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' P' P ' 59' ' ' SER . . . . . . . . . . . . 0.745 12.7 t -114.9 -10.23 12.35 Favored 'General case' 3 CA--C 1.069 -17.546 1 N-CA-C 135.416 9.043 . . . . 3.1899999999999999 135.416 -179.485 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' P' P ' 60' ' ' LYS . . . . . 1.247 ' HG3' ' O ' ' P' ' 55' ' ' SER 0.294 1.5 mmpt? -69.27 -158.64 0.03 OUTLIER 'General case' 4 C--O 0.733 -26.112 1 O-C-N 132.877 6.361 . . . . 5.8700000000000001 109.604 -179.596 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' P' P ' 61' ' ' ASN . . . . . . . . . . . . 1.096 0.0 OUTLIER 160.6 143.69 0.01 OUTLIER 'General case' 4 C--O 0.309 -48.402 2 N-CA-C 143.418 12.007 . . . . 6.2599999999999998 143.418 -179.623 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' P' P ' 62' ' ' SER . . . . . . . . . . . . 1.238 0.9 OUTLIER -157.68 177.67 11.13 Favored 'General case' 4 C--O 0.426 -42.245 5 CA-C-O 66.583 -25.484 . . . . 7.5899999999999999 148.562 -179.932 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' P' P ' 63' ' ' SER . . . . . . . . . . . . 1.019 30.6 t . . . . . 4 C--O 0.266 -50.679 5 CA-C-O 159.735 18.874 . . . . 9.3699999999999992 138.838 -179.819 . . . . . . . . 3 1 . 1 . 001 nuclear nobuild full ' P' P ' 64' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' HOH . . . . . 0.567 ' O ' ' HA ' ' P' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_