data_1zbn_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 1zbn _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 core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.614 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -39.11 -42.32 0.91 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.518 ' N ' ' HG2' ' B' ' 4' ' ' LYS . 2.0 mmmt 28.66 100.77 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.1 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.609 ' C ' HD12 ' B' ' 15' ' ' ILE . 0.2 OUTLIER -163.6 -58.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.09 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.705 ' O ' ' N ' ' B' ' 15' ' ' ILE . . . 74.95 -84.49 0.8 Allowed Glycine 0 CA--C 1.503 -0.678 0 C-N-CA 120.42 -0.895 . . . . 0.0 114.409 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.715 ' C ' HD13 ' B' ' 15' ' ' ILE . 66.5 p -112.45 156.25 22.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 5.6 mtt180 -86.8 16.51 4.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.23 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.66 4.5 32.08 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.343 0.897 . . . . 0.0 115.343 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -163.6 43.3 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.988 0.894 . . . . 0.0 109.547 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.15 18.24 64.65 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.237 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 37.5 mtt85 -75.39 -16.06 60.4 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.642 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 23.4 mtmm 64.11 171.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.715 HD13 ' C ' ' B' ' 8' ' ' THR . 0.9 OUTLIER -129.19 -45.88 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' CB ' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 35.02 90.56 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.093 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.614 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 3.6 m-85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.885 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' B' ' 4' ' ' LYS . 5.8 ttp180 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.439 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 0.5 OUTLIER 34.62 38.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.905 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 93.57 9.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.6 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.552 ' HB3' ' CD1' ' B' ' 15' ' ' ILE . 3.0 ttm105 -151.2 -51.55 0.13 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.858 ' O ' ' N ' ' B' ' 15' ' ' ILE . . . 83.73 -91.59 1.64 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 120.264 -0.97 . . . . 0.0 114.809 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.613 ' C ' HD13 ' B' ' 15' ' ' ILE . 30.1 p -107.74 159.41 16.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 1.1 mtt85 -97.84 28.72 3.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.668 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.658 ' O ' ' HB2' ' B' ' 11' ' ' LYS . . . 81.56 91.71 0.55 Allowed Glycine 0 C--N 1.344 0.997 0 C-N-CA 121.183 -0.532 . . . . 0.0 113.074 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.658 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 0.2 OUTLIER 113.68 36.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 109.014 -179.285 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.31 17.15 70.02 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 115.557 -0.747 . . . . 0.0 113.454 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' B' ' 9' ' ' ARG . 0.4 OUTLIER -81.95 68.11 8.21 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.699 ' HG2' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -36.27 158.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.71 0.767 . . . . 0.0 112.953 -178.222 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.858 ' N ' ' O ' ' B' ' 7' ' ' GLY . 2.0 mt -105.31 149.52 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.699 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.699 ' CE1' ' HG2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -152.31 80.61 1.24 Allowed 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.804 -178.451 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.439 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 20.6 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.21 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 ttp85 . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.543 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 9.2 pttp -36.91 -44.35 0.5 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.163 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' B' ' 6' ' ' ARG . 0.1 OUTLIER 44.84 -156.11 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.266 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.548 ' HB3' HD12 ' B' ' 15' ' ' ILE . 53.0 mtt85 76.17 -62.54 0.42 Allowed 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.062 0.392 . . . . 0.0 110.106 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.782 ' N ' HD13 ' B' ' 15' ' ' ILE . . . 72.42 -63.36 1.43 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.566 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.642 ' HA ' ' CA ' ' B' ' 14' ' ' LYS . 20.9 p -117.2 153.83 32.18 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 0.7 OUTLIER -94.17 23.26 5.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.574 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 95.24 89.04 1.74 Allowed Glycine 0 C--N 1.342 0.88 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.519 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 21.5 tptt 105.95 38.24 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.01 30.52 77.97 Favored Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 115.362 -0.835 . . . . 0.0 113.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 37.3 mtt-85 -79.75 -2.45 43.14 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.893 0.347 . . . . 0.0 110.887 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.642 ' CA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 47.31 168.63 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.782 HD13 ' N ' ' B' ' 7' ' ' GLY . 1.5 mt -132.74 149.46 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.421 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.597 ' CD2' ' N ' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -152.69 100.35 2.53 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.441 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 11.4 m-85 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.364 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' B' ' 4' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' B' ' 5' ' ' LYS . 12.3 pttt -31.54 -44.33 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.134 0.425 . . . . 0.0 110.957 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' B' ' 4' ' ' LYS . 7.0 mmmt 24.5 114.75 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.612 ' HB3' ' CD1' ' B' ' 15' ' ' ILE . 0.4 OUTLIER -178.43 -50.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 179.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.795 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 74.33 -91.57 0.74 Allowed Glycine 0 C--O 1.222 -0.598 0 N-CA-C 115.277 0.871 . . . . 0.0 115.277 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.63 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 15.8 p -103.84 160.46 14.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.444 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.2 OUTLIER -91.11 15.62 11.33 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.024 -0.67 . . . . 0.0 112.426 -178.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.43 -5.84 13.0 Favored Glycine 0 C--N 1.345 1.072 0 C-N-CA 120.122 -1.037 . . . . 0.0 115.627 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -163.39 45.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.237 1.019 . . . . 0.0 109.634 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.82 20.53 77.63 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.156 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.524 ' C ' ' CD ' ' B' ' 14' ' ' LYS . 16.0 mtt180 -80.44 0.9 31.38 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.887 -0.184 . . . . 0.0 111.233 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.652 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 44.64 170.36 0.0 OUTLIER 'General case' 0 C--N 1.344 0.353 0 CA-C-O 121.38 0.609 . . . . 0.0 112.557 179.044 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.795 HD12 ' N ' ' B' ' 7' ' ' GLY . 2.2 mt -125.42 -27.9 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -177.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.652 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.1 OUTLIER 9.86 86.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.084 0.554 . . . . 0.0 112.13 179.548 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 3.7 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.227 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.89 0.376 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.548 ' HA ' ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER 40.29 36.88 0.37 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.486 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -95.25 67.01 2.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.741 0.781 . . . . 0.0 110.946 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.507 ' HB3' ' CD1' ' B' ' 15' ' ' ILE . 2.5 ttm105 -132.05 -49.79 0.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.428 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.772 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 83.33 -94.99 1.82 Allowed Glycine 0 CA--C 1.499 -0.952 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.603 ' C ' HD13 ' B' ' 15' ' ' ILE . 6.2 p -103.26 155.73 18.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.495 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.3 OUTLIER -91.57 14.35 15.25 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.347 -179.196 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.53 -22.39 2.54 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 119.417 -1.373 . . . . 0.0 115.902 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -166.25 45.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.544 1.172 . . . . 0.0 110.767 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.59 14.74 62.95 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.826 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' B' ' 14' ' ' LYS . 6.0 mtt180 -76.27 -2.65 32.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.77 0.285 . . . . 0.0 110.798 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.639 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.42 169.63 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 112.56 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.772 HD12 ' N ' ' B' ' 7' ' ' GLY . 1.7 mt -124.91 -22.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -177.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.639 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.1 OUTLIER 11.64 86.11 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.168 0.587 . . . . 0.0 112.502 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.548 ' CE1' ' HA ' ' B' ' 4' ' ' LYS . 4.5 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.554 ' O ' ' HG3' ' B' ' 4' ' ' LYS . 14.3 ptpt 41.28 34.26 0.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.944 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 107.87 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.769 0.795 . . . . 0.0 111.596 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.55 ' HB3' ' CD1' ' B' ' 15' ' ' ILE . 0.4 OUTLIER -176.64 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.052 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.804 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 77.32 -86.87 1.01 Allowed Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 56.5 p -109.53 158.04 18.39 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.878 -0.189 . . . . 0.0 110.771 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.49 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.3 OUTLIER -96.72 30.13 2.75 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.998 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.99 94.12 0.75 Allowed Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.187 -0.53 . . . . 0.0 113.209 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 13.7 tptt 104.09 38.66 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.62 0.768 . . . . 0.0 109.465 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.31 23.82 64.82 Favored Glycine 0 N--CA 1.431 -1.66 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.849 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.446 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 6.3 mtt-85 -67.01 -22.56 65.89 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 117.564 0.682 . . . . 0.0 110.362 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.595 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 26.9 mtmm 64.28 158.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.196 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.804 HD12 ' N ' ' B' ' 7' ' ' GLY . 2.3 mt -116.19 -36.61 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 21.07 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.824 0.45 . . . . 0.0 111.947 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.458 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 4.5 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.468 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.406 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 15.7 ptpt 38.22 40.47 0.34 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.468 ' HD2' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -66.84 117.65 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.632 0.73 . . . . 0.0 111.985 -178.467 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.541 ' HB3' ' CD1' ' B' ' 15' ' ' ILE . 2.0 ttt85 179.09 -48.05 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.113 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.797 ' O ' ' N ' ' B' ' 15' ' ' ILE . . . 74.03 -85.56 0.68 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.569 ' HA ' ' CA ' ' B' ' 14' ' ' LYS . 72.2 p -110.42 159.86 17.1 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.477 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 2.0 mtt85 -98.89 27.63 4.85 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.18 96.67 0.64 Allowed Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.234 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 5.7 tptm 104.11 38.14 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 123.57 0.748 . . . . 0.0 109.269 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.28 33.34 80.05 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 115.234 -0.894 . . . . 0.0 113.397 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.477 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 5.3 mtt180 -79.13 -13.54 59.67 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.985 0.393 . . . . 0.0 110.405 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.569 ' CA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 53.91 163.97 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.431 0.634 . . . . 0.0 112.185 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.797 ' N ' ' O ' ' B' ' 7' ' ' GLY . 2.7 mt -126.29 150.75 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.842 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.478 ' CG ' ' C ' ' B' ' 15' ' ' ILE . 0.2 OUTLIER -158.46 83.75 0.83 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.406 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 13.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.357 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.965 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' B' ' 5' ' ' LYS . 12.9 ptpt -23.55 -44.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.029 0.377 . . . . 0.0 111.801 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.525 ' HA ' ' CE ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER 10.66 76.38 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.502 ' C ' HD12 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -135.66 -54.64 0.78 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.308 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.731 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 87.17 -98.43 2.37 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.339 -0.934 . . . . 0.0 115.358 177.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.689 ' C ' HD13 ' B' ' 15' ' ' ILE . 26.0 p -106.23 155.42 19.5 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.627 ' NH1' ' O ' ' B' ' 14' ' ' LYS . 0.3 OUTLIER -93.47 26.38 3.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.56 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 92.63 90.63 1.5 Allowed Glycine 0 C--N 1.342 0.902 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.694 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 19.9 tptt 102.89 38.47 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.87 33.11 86.36 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.59 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.519 ' O ' ' O ' ' B' ' 14' ' ' LYS . 24.9 mtt180 -83.16 1.35 40.96 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.834 -0.215 . . . . 0.0 111.508 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.656 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.37 164.85 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.03 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.731 HD12 ' N ' ' B' ' 7' ' ' GLY . 2.0 mt -130.69 -59.68 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.656 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 29.58 96.42 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.887 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.494 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 6.4 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.051 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 22.8 pttt -35.7 -43.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' B' ' 6' ' ' ARG . 4.3 mmmt 41.82 -141.23 0.1 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.506 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.606 ' HB3' ' CD1' ' B' ' 15' ' ' ILE . 39.1 mtt85 67.13 -68.36 0.15 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.297 0.499 . . . . 0.0 110.213 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.739 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 77.91 -73.78 2.08 Favored Glycine 0 CA--C 1.504 -0.614 0 C-N-CA 120.342 -0.933 . . . . 0.0 114.639 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.649 ' C ' HD13 ' B' ' 15' ' ' ILE . 82.3 p -116.64 153.58 32.04 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' B' ' 14' ' ' LYS . 0.6 OUTLIER -95.52 30.1 2.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.461 -0.495 . . . . 0.0 111.674 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.588 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.0 91.45 0.73 Allowed Glycine 0 C--N 1.341 0.831 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.511 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 3.1 tptt 108.32 37.61 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.491 0.716 . . . . 0.0 109.285 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.29 27.93 71.47 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.805 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.459 ' C ' ' HD3' ' B' ' 14' ' ' LYS . 5.4 mtt180 -75.31 -10.89 59.86 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.981 0.39 . . . . 0.0 110.893 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.613 ' CA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 54.06 171.05 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 120.623 0.249 . . . . 0.0 111.415 179.052 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.739 HD12 ' N ' ' B' ' 7' ' ' GLY . 0.9 OUTLIER -130.05 -59.12 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.546 ' CE1' ' CB ' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 39.56 94.88 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.46 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 6.6 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.057 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 5.3 pttt -35.0 -45.45 0.27 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.96 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' B' ' 6' ' ' ARG . 2.9 mmmt 36.39 -149.76 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.66 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.75 ' HB3' HD11 ' B' ' 15' ' ' ILE . 15.7 ttm105 75.07 -43.61 0.52 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.218 0.463 . . . . 0.0 110.437 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . 0.641 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 62.35 -83.92 0.03 OUTLIER Glycine 0 C--N 1.337 0.609 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 71.6 p -103.19 170.52 7.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . 0.484 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.2 OUTLIER -91.81 11.07 25.96 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.782 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.73 9.07 29.28 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.943 0.737 . . . . 0.0 114.943 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -163.88 43.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.631 0.716 . . . . 0.0 109.173 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.06 23.18 63.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.9 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.444 ' C ' ' HD3' ' B' ' 14' ' ' LYS . 18.7 mtt85 -80.27 -10.65 59.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.607 0.242 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.56 ' CB ' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 56.04 163.03 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.138 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.75 HD11 ' HB3' ' B' ' 6' ' ' ARG . 20.9 mt -108.61 -70.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.56 ' CE1' ' CB ' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 52.3 94.44 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.237 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 5.4 m-85 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.043 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.865 HO5' ' P ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 104.327 -0.838 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.584 ' C8 ' ' C8 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-C2' 108.448 1.463 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.628 " O2'" ' P ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-C2' 108.231 1.308 OUTLIER-EPSILON 0.198 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.636 " O2'" " H5'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C4'-C3' 103.022 -1.77 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.639 ' H42' ' HD3' ' B' ' 13' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C4'-C3' 103.035 -1.761 . 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.565 ' C6 ' ' N4 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C1'-C2' 108.003 1.145 OUTLIER-EPSILON 0.528 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 1.05 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 C5'-C4'-O4' 107.952 -0.892 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 1.05 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 N19-C1'-C2' 114.948 0.968 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . 0.568 ' O2 ' " O4'" ' A' ' 9' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.401 0.715 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.656 ' H62' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 107.71 0.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.546 ' N7 ' ' NE ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-C2'-O2' 108.55 -0.683 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.457 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.989 1.135 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' U' . . . . . 0.517 ' O4 ' ' HB3' ' B' ' 5' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 108.576 1.554 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.456 ' O2 ' " O4'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 100.808 -0.769 . 0.584 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.522 " O2'" ' P ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 108.185 1.275 . 0.0 OUTLIER '7D dist 4s' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.613 ' H6 ' " O5'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C4'-C3'-O3' 113.932 1.282 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 2z wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.554 HO2' ' P ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C4'-C3' 103.624 -1.34 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.554 ' P ' HO2' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C3'-C2'-O2' 111.238 -0.711 . 0.051 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.53 ' H8 ' " O2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 108.269 1.335 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.641 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C4'-C3' 103.397 -1.502 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.564 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-O2' 111.181 -0.731 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.576 ' N4 ' ' HD2' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 C3'-C2'-O2' 111.235 -0.712 . 0.481 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.827 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 108.415 1.44 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.827 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.599 0.856 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.77 ' H8 ' " O5'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-O2' 111.248 -0.707 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.528 " H5'" " O2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 108.103 1.216 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ' C' . . . . . 0.409 " O4'" " O3'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C4'-C3' 104.068 -1.023 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.478 " O5'" ' H6 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 108.955 1.825 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.513 ' N ' HO2' ' A' ' 16' ' ' ' U' . . . . . . . . 0 N--CA 1.487 2.037 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.496 ' O ' ' N1 ' ' A' ' 15' ' ' ' A' . 0.1 OUTLIER -58.29 84.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.795 0.298 . . . . 0.0 111.131 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.504 ' NE ' ' C4 ' ' A' ' 17' ' ' ' U' . 0.0 OUTLIER -177.04 -178.47 0.82 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.614 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -39.11 -42.32 0.91 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.518 ' N ' ' HG2' ' B' ' 4' ' ' LYS . 2.0 mmmt 28.66 100.77 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.1 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.656 ' HD3' ' H62' ' A' ' 10' ' ' ' A' . 0.2 OUTLIER -163.6 -58.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.09 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.705 ' O ' ' N ' ' B' ' 15' ' ' ILE . . . 74.95 -84.49 0.8 Allowed Glycine 0 CA--C 1.503 -0.678 0 C-N-CA 120.42 -0.895 . . . . 0.0 114.409 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.715 ' C ' HD13 ' B' ' 15' ' ' ILE . 66.5 p -112.45 156.25 22.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.709 ' NH2' ' C5 ' ' A' ' 7' ' ' ' U' . 5.6 mtt180 -86.8 16.51 4.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.23 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.66 4.5 32.08 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.343 0.897 . . . . 0.0 115.343 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -163.6 43.3 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.988 0.894 . . . . 0.0 109.547 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.15 18.24 64.65 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.237 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.639 ' HD3' ' H42' ' A' ' 5' ' ' ' C' . 37.5 mtt85 -75.39 -16.06 60.4 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.642 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 23.4 mtmm 64.11 171.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.715 HD13 ' C ' ' B' ' 8' ' ' THR . 0.9 OUTLIER -129.19 -45.88 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.569 ' O ' H5'' ' A' ' 7' ' ' ' U' . 0.0 OUTLIER 35.02 90.56 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.093 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.614 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 3.6 m-85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.885 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.865 HO5' ' P ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 C1'-C2'-O2' 108.24 -0.787 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.558 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 108.636 1.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.558 " C5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 108.62 1.586 . 0.258 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.51 " H2'" " O4'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-C2' 108.086 1.204 . 0.763 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.51 " O4'" " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C1'-C2' 108.246 1.318 . 0.336 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.613 ' N7 ' ' NH1' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 108.169 1.264 . 0.014 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.924 ' O2 ' " H2'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C2'-C3'-O3' 114.406 1.216 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.924 " H2'" ' O2 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-O2' 111.162 -0.737 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . 0.692 H5'' ' O2 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-O2' 111.319 -0.683 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.552 ' C4 ' ' N2 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-O2' 111.201 -0.724 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.446 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C1'-C2'-O2' 108.41 -0.73 . 0.412 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.608 " O2'" " H5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 108.035 1.168 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ' U' . . . . . 0.631 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C4'-C3' 103.276 -1.588 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.737 ' H6 ' ' O ' ' B' ' 1' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.724 0.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.612 " O3'" ' H6 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.523 0.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.612 ' H6 ' " O3'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 N19-C1'-C2' 116.093 1.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.485 ' C2 ' ' HD3' ' B' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C4'-C3' 103.483 -1.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.631 ' N6 ' ' O4 ' ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.527 0.805 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.475 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-C2' 108.004 1.146 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.594 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-C2' 108.106 1.218 . 0.133 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.594 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-O2' 111.134 -0.747 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.559 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 107.611 0.865 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.753 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 108.441 1.458 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.753 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.737 0.955 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.743 ' H8 ' " O5'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-O2' 111.287 -0.694 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.705 " O2'" " H5'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 108.386 1.419 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ' C' . . . . . 0.705 " H5'" " O2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 108.609 1.578 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.574 ' N4 ' ' N4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C4'-C3' 103.742 -1.256 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.737 ' O ' ' H6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 112.181 -0.368 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.53 ' HB3' ' C6 ' ' A' ' 15' ' ' ' A' . 1.1 tmm_? -118.96 154.39 33.09 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.991 0.395 . . . . 0.0 111.549 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' B' ' 4' ' ' LYS . 5.8 ttp180 62.56 139.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.606 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.485 ' HD3' ' C2 ' ' A' ' 17' ' ' ' U' . 0.5 OUTLIER 34.62 38.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.905 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.542 ' HA ' ' H62' ' A' ' 18' ' ' ' A' . 0.0 OUTLIER -86.72 93.57 9.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.6 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.667 ' HD2' ' O4 ' ' A' ' 7' ' ' ' U' . 3.0 ttm105 -151.2 -51.55 0.13 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.858 ' O ' ' N ' ' B' ' 15' ' ' ILE . . . 83.73 -91.59 1.64 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 120.264 -0.97 . . . . 0.0 114.809 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.613 ' C ' HD13 ' B' ' 15' ' ' ILE . 30.1 p -107.74 159.41 16.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.613 ' NH1' ' N7 ' ' A' ' 6' ' ' ' G' . 1.1 mtt85 -97.84 28.72 3.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.668 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.658 ' O ' ' HB2' ' B' ' 11' ' ' LYS . . . 81.56 91.71 0.55 Allowed Glycine 0 C--N 1.344 0.997 0 C-N-CA 121.183 -0.532 . . . . 0.0 113.074 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.658 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 0.2 OUTLIER 113.68 36.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 109.014 -179.285 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.31 17.15 70.02 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 115.557 -0.747 . . . . 0.0 113.454 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' B' ' 9' ' ' ARG . 0.4 OUTLIER -81.95 68.11 8.21 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.699 ' HG2' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -36.27 158.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.71 0.767 . . . . 0.0 112.953 -178.222 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.858 ' N ' ' O ' ' B' ' 7' ' ' GLY . 2.0 mt -105.31 149.52 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.699 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.699 ' CE1' ' HG2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -152.31 80.61 1.24 Allowed 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.804 -178.451 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.811 ' OXT' " H5'" ' A' ' 7' ' ' ' U' . 20.6 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.21 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.875 HO5' ' P ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 108.163 1.259 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.686 " C2'" " O5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C2'-C3'-O3' 113.999 1.071 OUTLIER-EPSILON 0.028 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.686 " O5'" " C2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C4'-C3' 103.707 -1.28 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.765 " O2'" " H5'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C4'-C3' 103.436 -1.474 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.765 " H5'" " O2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C4'-C3' 103.569 -1.38 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.642 " O2'" ' P ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 C2'-C3'-O3' 114.864 1.38 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.912 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C4'-C3'-C2' 103.841 1.141 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.912 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 N19-C1'-C2' 114.717 0.823 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-C2' 107.632 0.88 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.46 ' C2 ' ' C2 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-O2' 111.174 -0.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.512 ' O6 ' ' N4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C1'-C2'-O2' 108.475 -0.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.44 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-C2' 107.975 1.125 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ' U' . . . . . 0.611 " O2'" " H5'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 108.589 1.563 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.732 " H5'" ' O4 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 104.21 1.51 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.526 " O4'" " O3'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.69 0.921 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.732 ' O4 ' " H5'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.094 0 C4'-C3'-O3' 113.711 1.197 OUTLIER-EPSILON 0.06 2z . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.595 ' H5 ' " O2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-C2' 107.51 0.793 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.551 ' N6 ' ' O4 ' ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C1'-C2' 107.798 0.998 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.545 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 108.269 1.335 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.611 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 108.363 1.402 . 0.838 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.519 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-C2' 107.656 0.897 . 0.236 1f . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.6 " H2'" ' O2 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C3'-C2'-O2' 111.213 -0.72 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.684 ' O2 ' ' N7 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C1'-C2'-O2' 107.368 -1.077 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.684 ' N7 ' ' O2 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C3'-C2'-C1' 100.516 -1.093 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.547 ' C4 ' ' N2 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 C3'-C2'-O2' 111.128 -0.749 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.434 ' C6 ' ' N4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-C2' 107.468 0.763 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ' C' . . . . . 0.547 ' N4 ' ' H42' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 108.702 1.644 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.547 ' H42' ' N4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.105 0 O4'-C4'-C3' 103.044 -1.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.08 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.701 ' HG2' ' C2 ' ' A' ' 14' ' ' ' C' . 13.1 mtt180 -75.77 94.65 3.32 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.483 ' NE ' ' C2 ' ' A' ' 17' ' ' ' U' . 6.1 ttp85 179.96 -174.33 0.26 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.845 -0.742 . . . . 0.0 112.436 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.543 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 9.2 pttp -36.91 -44.35 0.5 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.163 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.478 ' HE3' ' C6 ' ' A' ' 18' ' ' ' A' . 0.1 OUTLIER 44.84 -156.11 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.266 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.567 ' CD ' ' O4 ' ' A' ' 7' ' ' ' U' . 53.0 mtt85 76.17 -62.54 0.42 Allowed 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.062 0.392 . . . . 0.0 110.106 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.782 ' N ' HD13 ' B' ' 15' ' ' ILE . . . 72.42 -63.36 1.43 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.566 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.642 ' HA ' ' CA ' ' B' ' 14' ' ' LYS . 20.9 p -117.2 153.83 32.18 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 0.7 OUTLIER -94.17 23.26 5.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.574 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 95.24 89.04 1.74 Allowed Glycine 0 C--N 1.342 0.88 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.519 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 21.5 tptt 105.95 38.24 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.01 30.52 77.97 Favored Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 115.362 -0.835 . . . . 0.0 113.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 37.3 mtt-85 -79.75 -2.45 43.14 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.893 0.347 . . . . 0.0 110.887 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.642 ' CA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 47.31 168.63 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.782 HD13 ' N ' ' B' ' 7' ' ' GLY . 1.5 mt -132.74 149.46 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.421 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.597 ' CD2' ' N ' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -152.69 100.35 2.53 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.441 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 11.4 m-85 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.364 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.87 HO5' ' P ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C4'-C3' 103.93 -1.121 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.664 ' N9 ' ' N7 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-C2' 108.522 1.516 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.671 " H2'" " O4'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 108.638 1.598 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.671 " O4'" " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-C2' 108.439 1.457 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.492 ' N3 ' ' O6 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 O4'-C1'-C2' 108.592 1.566 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.527 ' OP2' ' CE1' ' B' ' 16' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 108.272 1.337 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 1.022 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C4'-C3'-C2' 103.6 0.9 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 1.022 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 100.779 -0.801 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-O2' 111.302 -0.689 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.545 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C3'-C2'-O2' 111.269 -0.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.519 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.553 0.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.423 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 108.214 1.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ' U' . . . . . 0.544 ' O4 ' ' HB3' ' B' ' 5' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 108.741 1.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.614 ' C6 ' ' N ' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-C2' 107.644 0.889 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.774 " O2'" " H2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C1'-C2' 108.32 1.372 . 0.01 4s . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.774 " H2'" " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 C3'-C2'-O2' 111.262 -0.703 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.486 ' O2 ' " C2'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-O2' 111.122 -0.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.523 ' H62' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C1'-C2'-O2' 108.495 -0.702 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.457 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 108.06 1.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.634 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 108.077 1.198 . 0.351 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.634 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 107.793 0.995 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.46 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-O2' 111.331 -0.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.84 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-C2' 108.33 1.379 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.84 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.778 0.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.855 " H2'" " O4'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-O2' 111.174 -0.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.855 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-C2' 108.674 1.624 . 0.054 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.13 0 O4'-C4'-C3' 104.401 -0.785 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.474 ' N4 ' ' O6 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 104.624 1.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.439 ' HA3' ' C2 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 120.21 -0.217 . . . . 0.0 112.86 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.622 ' O ' ' CB ' ' B' ' 3' ' ' ARG . 3.9 ttt85 72.56 153.49 0.13 Allowed 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.622 ' CB ' ' O ' ' B' ' 2' ' ' ARG . 0.4 OUTLIER 94.65 179.01 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.156 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' B' ' 5' ' ' LYS . 12.3 pttt -31.54 -44.33 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.134 0.425 . . . . 0.0 110.957 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' B' ' 4' ' ' LYS . 7.0 mmmt 24.5 114.75 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.612 ' HB3' ' CD1' ' B' ' 15' ' ' ILE . 0.4 OUTLIER -178.43 -50.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 179.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.795 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 74.33 -91.57 0.74 Allowed Glycine 0 C--O 1.222 -0.598 0 N-CA-C 115.277 0.871 . . . . 0.0 115.277 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.63 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 15.8 p -103.84 160.46 14.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.502 ' HD2' ' N7 ' ' A' ' 6' ' ' ' G' . 0.2 OUTLIER -91.11 15.62 11.33 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.024 -0.67 . . . . 0.0 112.426 -178.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.43 -5.84 13.0 Favored Glycine 0 C--N 1.345 1.072 0 C-N-CA 120.122 -1.037 . . . . 0.0 115.627 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -163.39 45.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.237 1.019 . . . . 0.0 109.634 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.82 20.53 77.63 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.156 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.579 ' NH1' ' H42' ' A' ' 23' ' ' ' C' . 16.0 mtt180 -80.44 0.9 31.38 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.887 -0.184 . . . . 0.0 111.233 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.652 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 44.64 170.36 0.0 OUTLIER 'General case' 0 C--N 1.344 0.353 0 CA-C-O 121.38 0.609 . . . . 0.0 112.557 179.044 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.795 HD12 ' N ' ' B' ' 7' ' ' GLY . 2.2 mt -125.42 -27.9 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -177.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.652 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.1 OUTLIER 9.86 86.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.084 0.554 . . . . 0.0 112.13 179.548 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.872 ' O ' " H5'" ' A' ' 7' ' ' ' U' . 3.7 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.227 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.87 HO5' ' P ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-C1' 100.769 -0.812 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.56 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 108.624 1.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.56 " C5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 108.495 1.497 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.567 ' O4 ' ' N6 ' ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 108.306 1.361 OUTLIER-EPSILON 0.609 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.553 ' N4 ' ' O6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-C2' 108.491 1.494 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.602 " C2'" ' OP1' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-C2' 108.241 1.315 OUTLIER-EPSILON 0.126 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 1.047 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 C4'-C3'-C2' 103.854 1.154 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 1.047 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C4'-C3'-C2' 103.729 1.029 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.501 0.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.523 ' C5 ' ' N2 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C3'-C2'-O2' 111.176 -0.733 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.473 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.975 1.125 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.506 " C2'" ' OP1' ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 108.113 1.224 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ' U' . . . . . 0.506 ' OP1' " C2'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 108.936 1.811 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.525 ' C6 ' ' HA ' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 107.66 0.9 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.505 " O2'" ' C6 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-C2' 107.849 1.035 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.505 ' C6 ' " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-C1' 100.61 -0.989 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.482 ' C6 ' ' O2 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-O2' 111.179 -0.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.681 ' N7 ' ' CA ' ' B' ' 7' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-C2' 108.072 1.195 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.502 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C4'-C3' 103.537 -1.402 . 0.072 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.615 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-C2' 107.861 1.043 . 0.012 1f . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.615 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 108.172 1.266 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.572 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 107.559 0.828 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.751 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 108.023 1.159 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.751 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 100.874 -0.696 . 0.114 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.694 " H2'" " O4'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-O2' 111.219 -0.718 . 0.069 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.694 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-C2' 108.377 1.412 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ' C' . . . . . 0.85 " O2'" " H5'" ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C1'-C2' 107.906 1.076 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.85 " H5'" " O2'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O4'-C4'-C3' 102.901 -1.856 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.537 ' O ' ' O ' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.487 2.094 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER 33.07 113.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 72.19 147.27 0.08 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.008 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.548 ' HA ' ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER 40.29 36.88 0.37 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.486 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.531 ' CG ' ' HA2' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -95.25 67.01 2.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.741 0.781 . . . . 0.0 110.946 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.656 ' HD2' ' O4 ' ' A' ' 7' ' ' ' U' . 2.5 ttm105 -132.05 -49.79 0.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.428 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.772 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 83.33 -94.99 1.82 Allowed Glycine 0 CA--C 1.499 -0.952 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.603 ' C ' HD13 ' B' ' 15' ' ' ILE . 6.2 p -103.26 155.73 18.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.523 ' HD2' ' N7 ' ' A' ' 6' ' ' ' G' . 0.3 OUTLIER -91.57 14.35 15.25 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.347 -179.196 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.593 ' O ' " H3'" ' A' ' 20' ' ' ' C' . . . 141.53 -22.39 2.54 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 119.417 -1.373 . . . . 0.0 115.902 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -166.25 45.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.544 1.172 . . . . 0.0 110.767 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.59 14.74 62.95 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.826 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' B' ' 14' ' ' LYS . 6.0 mtt180 -76.27 -2.65 32.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.77 0.285 . . . . 0.0 110.798 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.639 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.42 169.63 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 112.56 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.772 HD12 ' N ' ' B' ' 7' ' ' GLY . 1.7 mt -124.91 -22.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -177.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.639 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.1 OUTLIER 11.64 86.11 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.168 0.587 . . . . 0.0 112.502 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.855 ' O ' " H5'" ' A' ' 7' ' ' ' U' . 4.5 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.879 HO5' ' P ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-C2' 108.255 1.325 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.67 " C2'" " O5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 C2'-C3'-O3' 113.67 0.953 OUTLIER-EPSILON 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.67 " O5'" " C2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-C2' 108.476 1.483 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.573 ' C5 ' ' C5 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 108.516 1.512 OUTLIER-EPSILON 0.552 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.573 ' C5 ' ' C5 ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 108.601 1.572 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.663 " O2'" H5'' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 108.264 1.331 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.663 H5'' " O2'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 C4'-C3'-C2' 103.617 0.917 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.552 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 O4'-C1'-C2' 107.969 1.121 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.811 1.008 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.496 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-C1' 100.884 -0.685 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.496 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C1'-C2'-O2' 108.477 -0.708 . 0.01 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.402 " O5'" " O2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 108.296 1.354 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ' U' . . . . . 0.534 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 108.426 1.447 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.469 ' C2 ' ' HG2' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C3'-C2'-O2' 111.134 -0.747 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.57 ' N3 ' ' O ' ' B' ' 1' ' ' GLY . . . . . . . . 0 O4'--C4' 1.439 -1.176 0 C3'-C2'-C1' 103.422 2.135 . 0.202 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.708 ' O2 ' H5'' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C1'-C2' 107.597 0.855 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.442 " O5'" " O2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-O2' 111.245 -0.709 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.552 ' N7 ' ' CA ' ' B' ' 7' ' ' GLY . . . . . . . . 0 O4'--C1' 1.402 -0.97 0 C4'-C3'-C2' 105.465 2.765 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.465 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-C2' 108.511 1.508 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.613 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-C2' 108.359 1.399 . 0.894 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.607 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 107.726 0.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.494 ' N4 ' ' HD3' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 107.724 0.946 . 0.854 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.76 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 108.372 1.408 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.76 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 107.814 1.01 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.649 ' N7 ' ' C2 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 100.728 -0.858 . 0.428 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.636 " O2'" ' P ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C2'-C3'-O3' 114.951 1.411 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ' C' . . . . . 0.636 ' P ' " O2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 108.404 1.431 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.52 " H5'" " O2'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C4'-C3' 103.364 -1.525 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.57 ' O ' ' N3 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 120.224 -0.209 . . . . 0.0 112.946 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER 50.95 126.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 70.59 132.35 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.554 ' O ' ' HG3' ' B' ' 4' ' ' LYS . 14.3 ptpt 41.28 34.26 0.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.944 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.497 ' HD3' ' C ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -79.32 107.87 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.769 0.795 . . . . 0.0 111.596 -179.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.575 ' HD2' ' O4 ' ' A' ' 7' ' ' ' U' . 0.4 OUTLIER -176.64 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.052 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.804 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 77.32 -86.87 1.01 Allowed Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.613 ' O ' ' H5 ' ' A' ' 20' ' ' ' C' . 56.5 p -109.53 158.04 18.39 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.878 -0.189 . . . . 0.0 110.771 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.536 ' NH1' ' N7 ' ' A' ' 6' ' ' ' G' . 0.3 OUTLIER -96.72 30.13 2.75 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.998 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.99 94.12 0.75 Allowed Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.187 -0.53 . . . . 0.0 113.209 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 13.7 tptt 104.09 38.66 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.62 0.768 . . . . 0.0 109.465 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.31 23.82 64.82 Favored Glycine 0 N--CA 1.431 -1.66 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.849 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.509 ' CD ' ' H42' ' A' ' 5' ' ' ' C' . 6.3 mtt-85 -67.01 -22.56 65.89 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 117.564 0.682 . . . . 0.0 110.362 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.595 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 26.9 mtmm 64.28 158.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.196 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.804 HD12 ' N ' ' B' ' 7' ' ' GLY . 2.3 mt -116.19 -36.61 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 21.07 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.824 0.45 . . . . 0.0 111.947 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.458 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 4.5 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.872 HO5' ' P ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C4'-C3' 104.395 -0.79 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.615 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 108.469 1.478 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.827 " H2'" " O4'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-C2' 108.577 1.555 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.827 " O4'" " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.141 0 O4'-C1'-C2' 108.225 1.304 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.621 " O2'" ' P ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.103 0 O4'-C4'-C3' 103.136 -1.689 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.621 ' P ' " O2'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C4'-C3' 103.455 -1.461 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.784 ' O2 ' H5'' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C2'-C3'-O3' 116.393 1.926 OUTLIER-EPSILON 0.164 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.784 H5'' ' O2 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 P-O3'-C3' 120.752 0.876 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . 0.766 " H5'" " O5'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.698 0.927 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.766 " O5'" " H5'" ' A' ' 9' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C3'-C2'-O2' 111.262 -0.703 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.501 " O2'" ' OP1' ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.981 0.781 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.501 ' OP1' " O2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O4'-C1'-C2' 107.861 1.043 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ' U' . . . . . 0.598 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 108.488 1.491 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.881 ' O2 ' H5'' ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C4'-C3' 104.314 -0.847 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.884 " H1'" " O2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C4'-C3' 103.883 -1.155 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.884 " O2'" " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C4'-C3' 103.537 -1.402 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.447 ' C4 ' ' HG3' ' B' ' 3' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C4'-C3' 103.838 -1.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.72 ' H62' ' HA ' ' B' ' 5' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-C2'-O2' 108.582 -0.673 . 0.023 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.468 ' N7 ' ' HA3' ' B' ' 7' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 107.968 1.12 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.625 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-C2' 108.279 1.342 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.625 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-C2' 107.811 1.008 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.437 " O4'" " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C3'-C2'-O2' 111.169 -0.735 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.811 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C4'-C3' 103.55 -1.393 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.811 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.803 1.002 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.794 " H2'" " O4'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C3'-C2'-O2' 111.209 -0.721 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.794 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 108.368 1.406 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C4'-C3' 104.249 -0.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.438 ' N4 ' ' O6 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 109.004 1.86 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.509 ' O ' ' C ' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 119.953 -0.359 . . . . 0.0 113.008 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.509 ' C ' ' O ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -9.16 78.55 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.514 ' HB2' ' C2 ' ' A' ' 15' ' ' ' A' . 0.0 OUTLIER 173.19 106.74 0.01 OUTLIER 'General case' 0 C--N 1.339 0.142 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -179.235 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.406 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 15.7 ptpt 38.22 40.47 0.34 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.72 ' HA ' ' H62' ' A' ' 18' ' ' ' A' . 0.0 OUTLIER -66.84 117.65 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.632 0.73 . . . . 0.0 111.985 -178.467 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.606 ' HD2' ' O4 ' ' A' ' 7' ' ' ' U' . 2.0 ttt85 179.09 -48.05 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.113 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.797 ' O ' ' N ' ' B' ' 15' ' ' ILE . . . 74.03 -85.56 0.68 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.569 ' HA ' ' CA ' ' B' ' 14' ' ' LYS . 72.2 p -110.42 159.86 17.1 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.537 ' NH1' ' C8 ' ' A' ' 6' ' ' ' G' . 2.0 mtt85 -98.89 27.63 4.85 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.18 96.67 0.64 Allowed Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.234 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 5.7 tptm 104.11 38.14 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 123.57 0.748 . . . . 0.0 109.269 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.28 33.34 80.05 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 115.234 -0.894 . . . . 0.0 113.397 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.547 ' CZ ' ' H42' ' A' ' 23' ' ' ' C' . 5.3 mtt180 -79.13 -13.54 59.67 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.985 0.393 . . . . 0.0 110.405 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.569 ' CA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 53.91 163.97 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.431 0.634 . . . . 0.0 112.185 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.797 ' N ' ' O ' ' B' ' 7' ' ' GLY . 2.7 mt -126.29 150.75 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.842 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' O ' ' P ' ' A' ' 7' ' ' ' U' . 0.2 OUTLIER -158.46 83.75 0.83 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.406 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 13.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.357 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.879 HO5' ' P ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 C1'-C2'-O2' 108.305 -0.765 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.529 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 108.336 1.383 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.63 " O2'" ' P ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 108.54 1.528 OUTLIER-EPSILON 0.16 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.63 ' P ' " O2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C4'-C3' 103.919 -1.129 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.534 ' C5 ' ' C5 ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C4'-C3' 103.437 -1.474 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.628 ' C8 ' ' NH1' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.979 1.128 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.875 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 C5'-C4'-O4' 108.152 -0.749 OUTLIER-EPSILON 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.875 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 100.715 -0.873 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.514 0.796 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.678 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-O2' 111.23 -0.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.525 " O2'" ' OP1' ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.04 0.84 . 0.125 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.525 ' OP1' " O2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 108.22 1.3 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ' U' . . . . . 0.665 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 108.909 1.792 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.566 " H4'" " O5'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C4'-C3'-C2' 104.179 1.479 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.566 " O5'" " H4'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 C3'-C2'-C1' 100.757 -0.825 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.553 ' C6 ' " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 100.365 -1.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.48 H5'' " O2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 103.919 1.219 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.69 ' H62' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.824 1.017 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.503 " C5'" " O2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C4'-C3' 103.62 -1.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.639 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 O4'-C4'-C3' 103.424 -1.483 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.583 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.92 1.086 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.538 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-C2' 107.702 0.93 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.77 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 108.436 1.454 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.77 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-C2' 107.908 1.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.751 ' H8 ' " O5'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-O2' 111.27 -0.7 . 0.018 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.696 ' H8 ' " O5'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-O2' 111.197 -0.725 . 0.107 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ' C' . . . . . 0.61 ' C4 ' ' N4 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 108.742 1.673 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.61 ' N4 ' ' C4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 108.178 1.27 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.513 ' HB3' ' C2 ' ' A' ' 15' ' ' ' A' . 0.0 OUTLIER -133.39 150.09 51.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.649 0.261 . . . . 0.0 111.527 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER 81.09 -145.11 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.965 178.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' B' ' 5' ' ' LYS . 12.9 ptpt -23.55 -44.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.029 0.377 . . . . 0.0 111.801 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.535 ' C ' ' N6 ' ' A' ' 18' ' ' ' A' . 0.0 OUTLIER 10.66 76.38 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.69 ' N ' ' H62' ' A' ' 18' ' ' ' A' . 0.6 OUTLIER -135.66 -54.64 0.78 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.308 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.731 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 87.17 -98.43 2.37 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.339 -0.934 . . . . 0.0 115.358 177.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.689 ' C ' HD13 ' B' ' 15' ' ' ILE . 26.0 p -106.23 155.42 19.5 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.628 ' NH1' ' C8 ' ' A' ' 6' ' ' ' G' . 0.3 OUTLIER -93.47 26.38 3.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.56 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 92.63 90.63 1.5 Allowed Glycine 0 C--N 1.342 0.902 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.694 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 19.9 tptt 102.89 38.47 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.87 33.11 86.36 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.59 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.555 ' NH1' ' H42' ' A' ' 23' ' ' ' C' . 24.9 mtt180 -83.16 1.35 40.96 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.834 -0.215 . . . . 0.0 111.508 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.656 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.37 164.85 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.03 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.731 HD12 ' N ' ' B' ' 7' ' ' GLY . 2.0 mt -130.69 -59.68 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.656 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 29.58 96.42 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.887 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.62 ' O ' " H5'" ' A' ' 7' ' ' ' U' . 6.4 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.051 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.859 HO5' ' P ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 C1'-C2'-O2' 108.524 -0.692 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.514 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 108.1 1.214 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.514 " C5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 108.373 1.41 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.553 ' O4 ' ' N6 ' ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-C2' 108.209 1.292 . 0.327 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.624 " C2'" " O5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 C2'-C3'-O3' 114.646 1.302 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.624 " O5'" " C2'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 108.035 1.168 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.908 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C3'-C2'-O2' 111.223 -0.716 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.908 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 N19-C1'-C2' 114.578 0.737 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-O2' 111.259 -0.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.528 ' C8 ' ' N2 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 111.235 -0.712 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.491 ' N7 ' ' NE ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 103.533 0.833 OUTLIER-EPSILON 0.539 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.479 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.679 0.914 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ' U' . . . . . 0.479 " O5'" " C2'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 108.429 1.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.673 ' H6 ' ' O ' ' B' ' 1' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-O2' 111.14 -0.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.719 " O2'" ' N1 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 108.207 1.291 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.719 ' N1 ' " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 107.789 0.992 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.41 ' O2 ' " C2'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C3'-C2'-O2' 111.005 -0.792 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.588 ' H62' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 103.798 1.098 . 0.034 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.502 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-C2' 108.308 1.363 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.665 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C4'-C3' 103.228 -1.623 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.665 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-C2' 107.882 1.058 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.537 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-O2' 111.192 -0.727 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.723 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 108.432 1.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.723 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.892 1.066 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.613 ' C5 ' ' N2 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-O2' 111.183 -0.73 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.766 ' H8 ' " O5'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C4'-C3'-C2' 103.667 0.967 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ' C' . . . . . 0.586 ' C4 ' ' N4 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 108.627 1.591 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.586 ' N4 ' ' C4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C4'-C3' 103.559 -1.386 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.673 ' O ' ' H6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.545 ' HG2' ' C2 ' ' A' ' 14' ' ' ' C' . 0.0 OUTLIER -90.45 174.44 7.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.746 0.273 . . . . 0.0 111.185 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' B' ' 2' ' ' ARG . 0.0 OUTLIER 83.25 -175.31 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.909 178.65 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 22.8 pttt -35.7 -43.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' B' ' 1' ' ' GLY . 4.3 mmmt 41.82 -141.23 0.1 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.506 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.606 ' HB3' ' CD1' ' B' ' 15' ' ' ILE . 39.1 mtt85 67.13 -68.36 0.15 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.297 0.499 . . . . 0.0 110.213 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.739 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 77.91 -73.78 2.08 Favored Glycine 0 CA--C 1.504 -0.614 0 C-N-CA 120.342 -0.933 . . . . 0.0 114.639 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.649 ' C ' HD13 ' B' ' 15' ' ' ILE . 82.3 p -116.64 153.58 32.04 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.537 ' NH1' ' N7 ' ' A' ' 6' ' ' ' G' . 0.6 OUTLIER -95.52 30.1 2.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.461 -0.495 . . . . 0.0 111.674 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.588 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.0 91.45 0.73 Allowed Glycine 0 C--N 1.341 0.831 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.511 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 3.1 tptt 108.32 37.61 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.491 0.716 . . . . 0.0 109.285 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.29 27.93 71.47 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.805 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.526 ' CZ ' ' H42' ' A' ' 23' ' ' ' C' . 5.4 mtt180 -75.31 -10.89 59.86 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.981 0.39 . . . . 0.0 110.893 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.613 ' CA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 54.06 171.05 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 120.623 0.249 . . . . 0.0 111.415 179.052 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.739 HD12 ' N ' ' B' ' 7' ' ' GLY . 0.9 OUTLIER -130.05 -59.12 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.546 ' CE1' ' CB ' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 39.56 94.88 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.46 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.594 ' OXT' " H5'" ' A' ' 7' ' ' ' U' . 6.6 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.057 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . 0.877 HO5' ' P ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.423 0.73 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' G' . . . . . 0.699 " O5'" " H1'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 108.325 1.375 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.623 " H5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 O4'-C1'-C2' 108.401 1.429 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ' U' . . . . . 0.588 ' C4 ' ' C4 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.085 0 O4'-C1'-C2' 108.403 1.431 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.64 ' H42' ' HD3' ' B' ' 13' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C4'-C3' 103.561 -1.385 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.614 " O2'" H5'' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 108.333 1.381 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.614 H5'' " O2'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C4'-C3'-O3' 114.188 1.38 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.507 ' H8 ' " O4'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.879 1.056 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-O2' 111.27 -0.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.413 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 C5'-C4'-O4' 108.191 -0.721 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ' G' . . . . . 0.599 ' O6 ' ' HG3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C5'-C4'-O4' 108.115 -0.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ' C' . . . . . 0.504 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-C2' 107.888 1.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ' U' . . . . . 0.504 " O5'" " C2'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 108.451 1.465 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.56 ' C2 ' ' HG2' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C4'-C3' 104.238 -0.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ' A' . . . . . 0.659 ' N3 ' ' H6 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.902 1.073 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ' U' . . . . . 0.669 ' O2 ' H5'' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 107.779 0.985 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ' U' . . . . . 0.441 " O2'" ' O2 ' ' A' ' 17' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 C4'-C3'-C2' 103.648 0.948 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ' A' . . . . . 0.561 ' N6 ' ' HE2' ' B' ' 5' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C1'-C2' 107.894 1.067 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ' G' . . . . . 0.485 " C5'" " O2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 108.4 1.429 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ' C' . . . . . 0.512 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-C2' 107.872 1.051 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ' U' . . . . . 0.536 " H2'" " O4'" ' A' ' 22' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C5'-C4'-O4' 108.195 -0.718 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ' C' . . . . . 0.536 " O4'" " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 103.841 -1.185 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ' C' . . . . . 0.784 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 108.287 1.348 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ' G' . . . . . 0.784 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C2'-C3'-O3' 114.426 1.224 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ' A' . . . . . 0.651 ' P ' " O2'" ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 C3'-C2'-O2' 111.163 -0.737 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ' G' . . . . . 0.445 " C2'" " O5'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.728 0.948 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ' C' . . . . . 0.657 " O2'" " H5'" ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 108.74 1.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ' C' . . . . . 0.657 " H5'" " O2'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 108.36 1.4 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.595 ' O ' ' C4 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 N--CA 1.488 2.113 0 N-CA-C 112.78 -0.128 . . . . 0.0 112.78 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.56 ' HG2' ' C2 ' ' A' ' 14' ' ' ' C' . 0.0 OUTLIER 60.47 160.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.389 -0.477 . . . . 0.0 110.727 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' B' ' 2' ' ' ARG . 1.2 ttm180 82.9 -174.35 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 5.3 pttt -35.0 -45.45 0.27 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.96 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.561 ' HE2' ' N6 ' ' A' ' 18' ' ' ' A' . 2.9 mmmt 36.39 -149.76 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.66 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.75 ' HB3' HD11 ' B' ' 15' ' ' ILE . 15.7 ttm105 75.07 -43.61 0.52 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.218 0.463 . . . . 0.0 110.437 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.641 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 62.35 -83.92 0.03 OUTLIER Glycine 0 C--N 1.337 0.609 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 71.6 p -103.19 170.52 7.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.527 ' HD2' ' C6 ' ' A' ' 6' ' ' ' G' . 0.2 OUTLIER -91.81 11.07 25.96 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.782 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.73 9.07 29.28 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.943 0.737 . . . . 0.0 114.943 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -163.88 43.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.631 0.716 . . . . 0.0 109.173 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.06 23.18 63.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.9 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.64 ' HD3' ' H42' ' A' ' 5' ' ' ' C' . 18.7 mtt85 -80.27 -10.65 59.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.607 0.242 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.56 ' CB ' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 56.04 163.03 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.138 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.75 HD11 ' HB3' ' B' ' 6' ' ' ARG . 20.9 mt -108.61 -70.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.56 ' CE1' ' CB ' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 52.3 94.44 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.237 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 5.4 m-85 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.043 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.623 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -39.11 -42.32 0.91 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.512 ' N ' ' HG2' ' B' ' 4' ' ' LYS . 2.0 mmmt 28.66 100.77 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.1 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.771 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.2 OUTLIER -163.6 -58.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.09 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 0.764 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.95 -84.49 0.8 Allowed Glycine 0 CA--C 1.503 -0.678 0 C-N-CA 120.42 -0.895 . . . . 0.0 114.409 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.692 ' N ' HD12 ' B' ' 15' ' ' ILE . 66.5 p -112.45 156.25 22.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 5.6 mtt180 -86.8 16.51 4.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.23 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.66 4.5 32.08 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.343 0.897 . . . . 0.0 115.343 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -163.6 43.3 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.988 0.894 . . . . 0.0 109.547 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.15 18.24 64.65 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.237 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 37.5 mtt85 -75.39 -16.06 60.4 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.681 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 23.4 mtmm 64.11 171.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.771 HD13 ' HB3' ' B' ' 6' ' ' ARG . 0.9 OUTLIER -129.19 -45.88 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.761 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 35.02 90.56 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.093 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.623 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 3.6 m-85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.885 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' B' ' 4' ' ' LYS . 5.8 ttp180 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 0.5 OUTLIER 34.62 38.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.905 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 93.57 9.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.6 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.985 ' HB3' HD13 ' B' ' 15' ' ' ILE . 3.0 ttm105 -151.2 -51.55 0.13 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 1.055 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 83.73 -91.59 1.64 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 120.264 -0.97 . . . . 0.0 114.809 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.687 ' N ' HD12 ' B' ' 15' ' ' ILE . 30.1 p -107.74 159.41 16.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 1.1 mtt85 -97.84 28.72 3.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.668 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.654 ' O ' ' HB2' ' B' ' 11' ' ' LYS . . . 81.56 91.71 0.55 Allowed Glycine 0 C--N 1.344 0.997 0 C-N-CA 121.183 -0.532 . . . . 0.0 113.074 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 0.2 OUTLIER 113.68 36.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 109.014 -179.285 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.31 17.15 70.02 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 115.557 -0.747 . . . . 0.0 113.454 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' B' ' 9' ' ' ARG . 0.4 OUTLIER -81.95 68.11 8.21 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.821 ' HG2' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -36.27 158.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.71 0.767 . . . . 0.0 112.953 -178.222 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 1.055 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.0 mt -105.31 149.52 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.699 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.821 ' CE1' ' HG2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -152.31 80.61 1.24 Allowed 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.804 -178.451 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.46 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 20.6 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.21 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 ttp85 . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 9.2 pttp -36.91 -44.35 0.5 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.163 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' B' ' 6' ' ' ARG . 0.1 OUTLIER 44.84 -156.11 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.266 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.835 ' HB2' HD13 ' B' ' 15' ' ' ILE . 53.0 mtt85 76.17 -62.54 0.42 Allowed 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.062 0.392 . . . . 0.0 110.106 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 0.893 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 72.42 -63.36 1.43 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.566 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.769 ' N ' HD12 ' B' ' 15' ' ' ILE . 20.9 p -117.2 153.83 32.18 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 0.7 OUTLIER -94.17 23.26 5.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.574 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 95.24 89.04 1.74 Allowed Glycine 0 C--N 1.342 0.88 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.519 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 21.5 tptt 105.95 38.24 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.01 30.52 77.97 Favored Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 115.362 -0.835 . . . . 0.0 113.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 37.3 mtt-85 -79.75 -2.45 43.14 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.893 0.347 . . . . 0.0 110.887 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.679 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 47.31 168.63 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.893 HD12 ' C ' ' B' ' 7' ' ' GLY . 1.5 mt -132.74 149.46 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.421 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -152.69 100.35 2.53 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.441 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 11.4 m-85 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.364 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' B' ' 4' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' B' ' 5' ' ' LYS . 12.3 pttt -31.54 -44.33 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.134 0.425 . . . . 0.0 110.957 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' B' ' 4' ' ' LYS . 7.0 mmmt 24.5 114.75 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 1.103 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -178.43 -50.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 179.311 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 1.093 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.33 -91.57 0.74 Allowed Glycine 0 C--O 1.222 -0.598 0 N-CA-C 115.277 0.871 . . . . 0.0 115.277 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.666 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 15.8 p -103.84 160.46 14.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.2 OUTLIER -91.11 15.62 11.33 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.024 -0.67 . . . . 0.0 112.426 -178.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.43 -5.84 13.0 Favored Glycine 0 C--N 1.345 1.072 0 C-N-CA 120.122 -1.037 . . . . 0.0 115.627 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -163.39 45.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.237 1.019 . . . . 0.0 109.634 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.82 20.53 77.63 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.156 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.524 ' C ' ' CD ' ' B' ' 14' ' ' LYS . 16.0 mtt180 -80.44 0.9 31.38 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.887 -0.184 . . . . 0.0 111.233 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.666 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 44.64 170.36 0.0 OUTLIER 'General case' 0 C--N 1.344 0.353 0 CA-C-O 121.38 0.609 . . . . 0.0 112.557 179.044 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 1.103 HD13 ' HB3' ' B' ' 6' ' ' ARG . 2.2 mt -125.42 -27.9 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -177.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.542 ' C ' ' O ' ' B' ' 15' ' ' ILE . 0.0 OUTLIER 9.86 86.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.084 0.554 . . . . 0.0 112.13 179.548 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.487 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 3.7 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.227 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.423 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 2.7 ttm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.89 0.376 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.559 ' HA ' ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER 40.29 36.88 0.37 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.486 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.442 ' CE ' ' HA ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -95.25 67.01 2.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.741 0.781 . . . . 0.0 110.946 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.984 ' HB3' HD13 ' B' ' 15' ' ' ILE . 2.5 ttm105 -132.05 -49.79 0.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.428 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 1.065 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 83.33 -94.99 1.82 Allowed Glycine 0 CA--C 1.499 -0.952 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.655 ' N ' HD12 ' B' ' 15' ' ' ILE . 6.2 p -103.26 155.73 18.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.537 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.3 OUTLIER -91.57 14.35 15.25 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.347 -179.196 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.53 -22.39 2.54 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 119.417 -1.373 . . . . 0.0 115.902 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -166.25 45.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.544 1.172 . . . . 0.0 110.767 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.59 14.74 62.95 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.826 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' B' ' 14' ' ' LYS . 6.0 mtt180 -76.27 -2.65 32.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.77 0.285 . . . . 0.0 110.798 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.685 ' HG3' ' CD2' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.42 169.63 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 112.56 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 1.065 HD12 ' C ' ' B' ' 7' ' ' GLY . 1.7 mt -124.91 -22.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -177.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.685 ' CD2' ' HG3' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 11.64 86.11 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.168 0.587 . . . . 0.0 112.502 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' B' ' 4' ' ' LYS . 4.5 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' B' ' 4' ' ' LYS . 14.3 ptpt 41.28 34.26 0.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.944 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 107.87 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.769 0.795 . . . . 0.0 111.596 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.992 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -176.64 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.052 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 1.02 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 77.32 -86.87 1.01 Allowed Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.691 ' N ' HD12 ' B' ' 15' ' ' ILE . 56.5 p -109.53 158.04 18.39 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.878 -0.189 . . . . 0.0 110.771 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.526 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.3 OUTLIER -96.72 30.13 2.75 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.998 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.99 94.12 0.75 Allowed Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.187 -0.53 . . . . 0.0 113.209 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 13.7 tptt 104.09 38.66 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.62 0.768 . . . . 0.0 109.465 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.31 23.82 64.82 Favored Glycine 0 N--CA 1.431 -1.66 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.849 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.453 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 6.3 mtt-85 -67.01 -22.56 65.89 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 117.564 0.682 . . . . 0.0 110.362 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.624 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 26.9 mtmm 64.28 158.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.196 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 1.02 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.3 mt -116.19 -36.61 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.502 ' C ' ' O ' ' B' ' 15' ' ' ILE . 0.0 OUTLIER 21.07 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.824 0.45 . . . . 0.0 111.947 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 4.5 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.478 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 15.7 ptpt 38.22 40.47 0.34 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -66.84 117.65 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.632 0.73 . . . . 0.0 111.985 -178.467 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.964 ' HB3' HD13 ' B' ' 15' ' ' ILE . 2.0 ttt85 179.09 -48.05 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.113 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 1.068 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.03 -85.56 0.68 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.685 ' N ' HD12 ' B' ' 15' ' ' ILE . 72.2 p -110.42 159.86 17.1 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 2.0 mtt85 -98.89 27.63 4.85 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.18 96.67 0.64 Allowed Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.234 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 5.7 tptm 104.11 38.14 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 123.57 0.748 . . . . 0.0 109.269 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.28 33.34 80.05 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 115.234 -0.894 . . . . 0.0 113.397 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 5.3 mtt180 -79.13 -13.54 59.67 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.985 0.393 . . . . 0.0 110.405 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.593 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 53.91 163.97 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.431 0.634 . . . . 0.0 112.185 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 1.068 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.7 mt -126.29 150.75 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.842 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -158.46 83.75 0.83 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 13.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.357 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.965 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.514 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 12.9 ptpt -23.55 -44.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.029 0.377 . . . . 0.0 111.801 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER 10.66 76.38 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.925 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -135.66 -54.64 0.78 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.308 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 0.986 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 87.17 -98.43 2.37 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.339 -0.934 . . . . 0.0 115.358 177.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.713 ' N ' HD12 ' B' ' 15' ' ' ILE . 26.0 p -106.23 155.42 19.5 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.627 ' NH1' ' O ' ' B' ' 14' ' ' LYS . 0.3 OUTLIER -93.47 26.38 3.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.56 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 92.63 90.63 1.5 Allowed Glycine 0 C--N 1.342 0.902 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.694 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 19.9 tptt 102.89 38.47 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.87 33.11 86.36 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.59 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.521 ' HB2' ' CB ' ' B' ' 9' ' ' ARG . 24.9 mtt180 -83.16 1.35 40.96 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.834 -0.215 . . . . 0.0 111.508 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.737 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.37 164.85 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.03 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.986 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.0 mt -130.69 -59.68 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.737 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.1 OUTLIER 29.58 96.42 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.887 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.514 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 6.4 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.051 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 22.8 pttt -35.7 -43.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' B' ' 6' ' ' ARG . 4.3 mmmt 41.82 -141.23 0.1 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.506 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.855 ' HB3' HD13 ' B' ' 15' ' ' ILE . 39.1 mtt85 67.13 -68.36 0.15 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.297 0.499 . . . . 0.0 110.213 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 0.857 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 77.91 -73.78 2.08 Favored Glycine 0 CA--C 1.504 -0.614 0 C-N-CA 120.342 -0.933 . . . . 0.0 114.639 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.761 ' N ' HD12 ' B' ' 15' ' ' ILE . 82.3 p -116.64 153.58 32.04 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.524 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.6 OUTLIER -95.52 30.1 2.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.461 -0.495 . . . . 0.0 111.674 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.588 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.0 91.45 0.73 Allowed Glycine 0 C--N 1.341 0.831 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.511 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 3.1 tptt 108.32 37.61 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.491 0.716 . . . . 0.0 109.285 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.29 27.93 71.47 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.805 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.465 ' C ' ' HD3' ' B' ' 14' ' ' LYS . 5.4 mtt180 -75.31 -10.89 59.86 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.981 0.39 . . . . 0.0 110.893 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.716 ' HB2' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 54.06 171.05 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 120.623 0.249 . . . . 0.0 111.415 179.052 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.857 HD12 ' C ' ' B' ' 7' ' ' GLY . 0.9 OUTLIER -130.05 -59.12 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.414 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.716 ' CE1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 39.56 94.88 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.46 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 6.6 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.057 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 5.3 pttt -35.0 -45.45 0.27 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.96 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' B' ' 6' ' ' ARG . 2.9 mmmt 36.39 -149.76 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.66 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.879 ' HG2' HD11 ' B' ' 15' ' ' ILE . 15.7 ttm105 75.07 -43.61 0.52 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.218 0.463 . . . . 0.0 110.437 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLY . . . . . 0.871 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 62.35 -83.92 0.03 OUTLIER Glycine 0 C--N 1.337 0.609 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 71.6 p -103.19 170.52 7.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ARG . . . . . 0.538 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.2 OUTLIER -91.81 11.07 25.96 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.782 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.73 9.07 29.28 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.943 0.737 . . . . 0.0 114.943 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 13' ' ' ARG . 1.6 tptt -163.88 43.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.631 0.716 . . . . 0.0 109.173 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.06 23.18 63.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.9 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.445 ' C ' ' HD3' ' B' ' 14' ' ' LYS . 18.7 mtt85 -80.27 -10.65 59.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.607 0.242 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.77 ' HB2' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 56.04 163.03 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.138 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.879 HD11 ' HG2' ' B' ' 6' ' ' ARG . 20.9 mt -108.61 -70.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.77 ' CE1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 52.3 94.44 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.237 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 5.4 m-85 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.043 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.584 ' C8 ' ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 104.327 -0.838 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.584 ' C8 ' ' C8 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-C2' 108.448 1.463 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.628 " O2'" ' P ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-C2' 108.231 1.308 OUTLIER-EPSILON 0.198 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.631 " O2'" " H5'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C4'-C3' 103.022 -1.77 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.673 ' H41' ' HD3' ' B' ' 13' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C4'-C3' 103.035 -1.761 . 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.565 ' C6 ' ' N4 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C1'-C2' 108.003 1.145 OUTLIER-EPSILON 0.528 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 1.05 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 C5'-C4'-O4' 107.952 -0.892 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 1.05 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 N19-C1'-C2' 114.948 0.968 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . 0.568 ' O2 ' " O4'" ' A' ' 9' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.401 0.715 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.67 ' H62' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 107.71 0.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.546 ' N7 ' ' NE ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-C2'-O2' 108.55 -0.683 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.457 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.989 1.135 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' U' . . . . . 0.56 " H2'" ' O4 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 108.576 1.554 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.456 ' O2 ' " O4'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 100.808 -0.769 . 0.584 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.522 " O2'" ' P ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 108.185 1.275 . 0.0 OUTLIER '7D dist 4s' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.606 ' H6 ' " O5'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C4'-C3'-O3' 113.932 1.282 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 2z wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . 0.504 ' C4 ' ' NE ' ' B' ' 3' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C4'-C3' 103.624 -1.34 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.539 ' H62' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C3'-C2'-O2' 111.238 -0.711 . 0.051 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.539 ' H8 ' " O2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 108.269 1.335 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.634 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C4'-C3' 103.397 -1.502 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.564 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-O2' 111.181 -0.731 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.603 ' N4 ' ' HD2' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 C3'-C2'-O2' 111.235 -0.712 . 0.481 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.831 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 108.415 1.44 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.831 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.599 0.856 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.772 ' H8 ' " O5'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-O2' 111.248 -0.707 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.527 " H5'" " O2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 108.103 1.216 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ' C' . . . . . 0.409 " O4'" " O3'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C4'-C3' 104.068 -1.023 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.477 ' N4 ' ' O6 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 108.955 1.825 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' B' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.487 2.037 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.496 ' O ' ' N1 ' ' A' ' 15' ' ' ' A' . 0.1 OUTLIER -58.29 84.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.795 0.298 . . . . 0.0 111.131 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.504 ' NE ' ' C4 ' ' A' ' 17' ' ' ' U' . 0.0 OUTLIER -177.04 -178.47 0.82 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.623 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -39.11 -42.32 0.91 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.544 ' HB3' ' O4 ' ' A' ' 13' ' ' ' U' . 2.0 mmmt 28.66 100.77 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.1 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.771 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.2 OUTLIER -163.6 -58.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.09 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.764 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.95 -84.49 0.8 Allowed Glycine 0 CA--C 1.503 -0.678 0 C-N-CA 120.42 -0.895 . . . . 0.0 114.409 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.692 ' N ' HD12 ' B' ' 15' ' ' ILE . 66.5 p -112.45 156.25 22.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.709 ' NH2' ' C5 ' ' A' ' 7' ' ' ' U' . 5.6 mtt180 -86.8 16.51 4.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.23 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.66 4.5 32.08 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.343 0.897 . . . . 0.0 115.343 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -163.6 43.3 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.988 0.894 . . . . 0.0 109.547 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.15 18.24 64.65 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.237 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.673 ' HD3' ' H41' ' A' ' 5' ' ' ' C' . 37.5 mtt85 -75.39 -16.06 60.4 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.681 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 23.4 mtmm 64.11 171.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 1.034 HG23 ' C5 ' ' A' ' 7' ' ' ' U' . 0.9 OUTLIER -129.19 -45.88 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.585 ' O ' H5'' ' A' ' 7' ' ' ' U' . 0.0 OUTLIER 35.02 90.56 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.093 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.623 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 3.6 m-85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.885 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.454 " O2'" " O5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 C1'-C2'-O2' 108.24 -0.787 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.558 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 108.636 1.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.558 " C5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 108.62 1.586 . 0.258 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.531 " H2'" " O4'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-C2' 108.086 1.204 . 0.763 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.586 ' P ' ' HZ1' ' B' ' 14' ' ' LYS . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C1'-C2' 108.246 1.318 . 0.336 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.613 ' N7 ' ' NH1' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 108.169 1.264 . 0.014 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.97 ' O2 ' " H2'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C2'-C3'-O3' 114.406 1.216 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.97 " H2'" ' O2 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-O2' 111.162 -0.737 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . 0.688 H5'' ' O2 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-O2' 111.319 -0.683 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.552 ' C4 ' ' N2 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-O2' 111.201 -0.724 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.446 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C1'-C2'-O2' 108.41 -0.73 . 0.412 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.61 " O2'" " H5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 108.035 1.168 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ' U' . . . . . 0.631 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C4'-C3' 103.276 -1.588 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.729 ' H6 ' ' O ' ' B' ' 1' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.724 0.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.604 " O3'" ' H6 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.523 0.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.604 ' H6 ' " O3'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 N19-C1'-C2' 116.093 1.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . 0.49 ' C2 ' ' HD3' ' B' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C4'-C3' 103.483 -1.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.631 ' N6 ' ' O4 ' ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.527 0.805 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.475 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-C2' 108.004 1.146 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.594 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-C2' 108.106 1.218 . 0.133 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.594 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-O2' 111.134 -0.747 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.559 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 107.611 0.865 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.761 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 108.441 1.458 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.761 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.737 0.955 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.745 ' H8 ' " O5'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-O2' 111.287 -0.694 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.699 " O2'" " H5'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 108.386 1.419 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ' C' . . . . . 0.699 " H5'" " O2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 108.609 1.578 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.574 ' N4 ' ' N4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C4'-C3' 103.742 -1.256 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.729 ' O ' ' H6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 112.181 -0.368 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.561 ' HB3' ' C6 ' ' A' ' 15' ' ' ' A' . 1.1 tmm_? -118.96 154.39 33.09 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.991 0.395 . . . . 0.0 111.549 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' B' ' 4' ' ' LYS . 5.8 ttp180 62.56 139.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.606 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C2 ' ' A' ' 17' ' ' ' U' . 0.5 OUTLIER 34.62 38.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.905 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.549 ' HA ' ' H62' ' A' ' 18' ' ' ' A' . 0.0 OUTLIER -86.72 93.57 9.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.6 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.985 ' HB3' HD13 ' B' ' 15' ' ' ILE . 3.0 ttm105 -151.2 -51.55 0.13 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 1.055 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 83.73 -91.59 1.64 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 120.264 -0.97 . . . . 0.0 114.809 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.687 ' N ' HD12 ' B' ' 15' ' ' ILE . 30.1 p -107.74 159.41 16.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.613 ' NH1' ' N7 ' ' A' ' 6' ' ' ' G' . 1.1 mtt85 -97.84 28.72 3.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.668 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.654 ' O ' ' HB2' ' B' ' 11' ' ' LYS . . . 81.56 91.71 0.55 Allowed Glycine 0 C--N 1.344 0.997 0 C-N-CA 121.183 -0.532 . . . . 0.0 113.074 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 0.2 OUTLIER 113.68 36.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 109.014 -179.285 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.31 17.15 70.02 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 115.557 -0.747 . . . . 0.0 113.454 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' B' ' 9' ' ' ARG . 0.4 OUTLIER -81.95 68.11 8.21 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.821 ' HG2' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -36.27 158.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.71 0.767 . . . . 0.0 112.953 -178.222 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 1.055 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.0 mt -105.31 149.52 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.699 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.821 ' CE1' ' HG2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -152.31 80.61 1.24 Allowed 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.804 -178.451 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.816 ' OXT' " H5'" ' A' ' 7' ' ' ' U' . 20.6 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.21 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.633 ' N7 ' ' N7 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 108.163 1.259 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.686 " C2'" " O5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C2'-C3'-O3' 113.999 1.071 OUTLIER-EPSILON 0.028 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.686 " O5'" " C2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C4'-C3' 103.707 -1.28 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.765 " O2'" " H5'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C4'-C3' 103.436 -1.474 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.765 " H5'" " O2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C4'-C3' 103.569 -1.38 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.642 " O2'" ' P ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 C2'-C3'-O3' 114.864 1.38 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.955 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C4'-C3'-C2' 103.841 1.141 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.955 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 N19-C1'-C2' 114.717 0.823 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-C2' 107.632 0.88 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.46 ' C2 ' ' C2 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-O2' 111.174 -0.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.512 ' O6 ' ' N4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C1'-C2'-O2' 108.475 -0.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.44 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-C2' 107.975 1.125 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ' U' . . . . . 0.62 " O2'" " H5'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 108.589 1.563 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.721 " H5'" ' O4 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 104.21 1.51 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.526 " O4'" " O3'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.69 0.921 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.721 ' O4 ' " H5'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.094 0 C4'-C3'-O3' 113.711 1.197 OUTLIER-EPSILON 0.06 2z . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . 0.586 ' H5 ' " O2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-C2' 107.51 0.793 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.579 ' C8 ' ' HA3' ' B' ' 7' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C1'-C2' 107.798 0.998 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.545 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 108.269 1.335 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.604 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 108.363 1.402 . 0.838 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.519 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-C2' 107.656 0.897 . 0.236 1f . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.54 " H2'" ' O2 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C3'-C2'-O2' 111.213 -0.72 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.701 " H2'" ' N7 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C1'-C2'-O2' 107.368 -1.077 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.701 ' N7 ' " H2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C3'-C2'-C1' 100.516 -1.093 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.547 ' C4 ' ' N2 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 C3'-C2'-O2' 111.128 -0.749 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.434 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-C2' 107.468 0.763 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ' C' . . . . . 0.557 ' N4 ' ' H41' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 108.702 1.644 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.557 ' H41' ' N4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.105 0 O4'-C4'-C3' 103.044 -1.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.08 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.705 ' HG2' ' C2 ' ' A' ' 14' ' ' ' C' . 13.1 mtt180 -75.77 94.65 3.32 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.483 ' NE ' ' C2 ' ' A' ' 17' ' ' ' U' . 6.1 ttp85 179.96 -174.33 0.26 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.845 -0.742 . . . . 0.0 112.436 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 9.2 pttp -36.91 -44.35 0.5 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.163 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.493 ' HE3' ' C6 ' ' A' ' 18' ' ' ' A' . 0.1 OUTLIER 44.84 -156.11 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.266 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.835 ' HB2' HD13 ' B' ' 15' ' ' ILE . 53.0 mtt85 76.17 -62.54 0.42 Allowed 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.062 0.392 . . . . 0.0 110.106 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.893 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 72.42 -63.36 1.43 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.566 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.769 ' N ' HD12 ' B' ' 15' ' ' ILE . 20.9 p -117.2 153.83 32.18 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 0.7 OUTLIER -94.17 23.26 5.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.574 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 95.24 89.04 1.74 Allowed Glycine 0 C--N 1.342 0.88 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.519 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 21.5 tptt 105.95 38.24 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.01 30.52 77.97 Favored Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 115.362 -0.835 . . . . 0.0 113.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 37.3 mtt-85 -79.75 -2.45 43.14 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.893 0.347 . . . . 0.0 110.887 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.679 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 47.31 168.63 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.893 HD12 ' C ' ' B' ' 7' ' ' GLY . 1.5 mt -132.74 149.46 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.421 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.578 ' O ' " H5'" ' A' ' 7' ' ' ' U' . 0.0 OUTLIER -152.69 100.35 2.53 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.441 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 11.4 m-85 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.364 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.664 ' N7 ' ' N9 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C4'-C3' 103.93 -1.121 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.664 ' N9 ' ' N7 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-C2' 108.522 1.516 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.736 " H2'" " O4'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 108.638 1.598 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.736 " O4'" " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-C2' 108.439 1.457 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.492 ' N3 ' ' O6 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 O4'-C1'-C2' 108.592 1.566 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.617 HO2' ' P ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 108.272 1.337 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 1.041 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C4'-C3'-C2' 103.6 0.9 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 1.041 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 100.779 -0.801 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-O2' 111.302 -0.689 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.566 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C3'-C2'-O2' 111.269 -0.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.519 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.553 0.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.423 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 108.214 1.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ' U' . . . . . 0.571 ' O4 ' ' HB3' ' B' ' 5' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 108.741 1.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.614 ' C6 ' ' N ' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-C2' 107.644 0.889 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.744 " O2'" " H2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C1'-C2' 108.32 1.372 . 0.01 4s . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.744 " H2'" " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 C3'-C2'-O2' 111.262 -0.703 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . 0.486 ' O2 ' " C2'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-O2' 111.122 -0.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.533 ' H62' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C1'-C2'-O2' 108.495 -0.702 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.457 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 108.06 1.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.634 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 108.077 1.198 . 0.351 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.634 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 107.793 0.995 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.46 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-O2' 111.331 -0.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.849 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-C2' 108.33 1.379 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.849 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.778 0.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.898 " H2'" " O4'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-O2' 111.174 -0.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.898 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-C2' 108.674 1.624 . 0.054 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.13 0 O4'-C4'-C3' 104.401 -0.785 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.474 ' N4 ' ' O6 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 104.624 1.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.446 ' HA3' ' C2 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 120.21 -0.217 . . . . 0.0 112.86 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.622 ' O ' ' CB ' ' B' ' 3' ' ' ARG . 3.9 ttt85 72.56 153.49 0.13 Allowed 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.622 ' CB ' ' O ' ' B' ' 2' ' ' ARG . 0.4 OUTLIER 94.65 179.01 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.156 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' B' ' 5' ' ' LYS . 12.3 pttt -31.54 -44.33 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.134 0.425 . . . . 0.0 110.957 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.571 ' HB3' ' O4 ' ' A' ' 13' ' ' ' U' . 7.0 mmmt 24.5 114.75 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 1.103 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -178.43 -50.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 179.311 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 1.093 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.33 -91.57 0.74 Allowed Glycine 0 C--O 1.222 -0.598 0 N-CA-C 115.277 0.871 . . . . 0.0 115.277 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.666 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 15.8 p -103.84 160.46 14.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.516 ' HD2' ' N7 ' ' A' ' 6' ' ' ' G' . 0.2 OUTLIER -91.11 15.62 11.33 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.024 -0.67 . . . . 0.0 112.426 -178.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.43 -5.84 13.0 Favored Glycine 0 C--N 1.345 1.072 0 C-N-CA 120.122 -1.037 . . . . 0.0 115.627 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -163.39 45.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.237 1.019 . . . . 0.0 109.634 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.82 20.53 77.63 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.156 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.594 ' NH1' ' H41' ' A' ' 23' ' ' ' C' . 16.0 mtt180 -80.44 0.9 31.38 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.887 -0.184 . . . . 0.0 111.233 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.666 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 44.64 170.36 0.0 OUTLIER 'General case' 0 C--N 1.344 0.353 0 CA-C-O 121.38 0.609 . . . . 0.0 112.557 179.044 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 1.103 HD13 ' HB3' ' B' ' 6' ' ' ARG . 2.2 mt -125.42 -27.9 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -177.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.542 ' C ' ' O ' ' B' ' 15' ' ' ILE . 0.0 OUTLIER 9.86 86.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.084 0.554 . . . . 0.0 112.13 179.548 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.871 ' O ' " H5'" ' A' ' 7' ' ' ' U' . 3.7 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.227 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.452 " O2'" " O5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-C1' 100.769 -0.812 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.56 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 108.624 1.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.56 " C5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 108.495 1.497 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.567 ' O4 ' ' N6 ' ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 108.306 1.361 OUTLIER-EPSILON 0.609 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.553 ' N4 ' ' O6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-C2' 108.491 1.494 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.602 " C2'" ' OP1' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-C2' 108.241 1.315 OUTLIER-EPSILON 0.126 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 1.092 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 C4'-C3'-C2' 103.854 1.154 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 1.092 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C4'-C3'-C2' 103.729 1.029 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.501 0.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.523 ' C5 ' ' N2 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C3'-C2'-O2' 111.176 -0.733 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.473 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.975 1.125 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.506 " C2'" ' OP1' ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 108.113 1.224 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ' U' . . . . . 0.506 ' OP1' " C2'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 108.936 1.811 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.572 ' C6 ' ' HA ' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 107.66 0.9 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.505 " O2'" ' C6 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-C2' 107.849 1.035 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.505 ' C6 ' " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-C1' 100.61 -0.989 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . 0.482 ' C6 ' ' O2 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-O2' 111.179 -0.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.681 ' N7 ' ' CA ' ' B' ' 7' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-C2' 108.072 1.195 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.532 H5'' HG21 ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C4'-C3' 103.537 -1.402 . 0.072 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.615 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-C2' 107.861 1.043 . 0.012 1f . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.615 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 108.172 1.266 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.572 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 107.559 0.828 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.921 HO2' ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 108.023 1.159 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.921 ' H8 ' HO2' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 100.874 -0.696 . 0.114 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.731 " H2'" " O4'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-O2' 111.219 -0.718 . 0.069 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.731 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-C2' 108.377 1.412 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ' C' . . . . . 0.848 " O2'" " H5'" ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C1'-C2' 107.906 1.076 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.848 " H5'" " O2'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O4'-C4'-C3' 102.901 -1.856 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.537 ' O ' ' O ' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.487 2.094 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.572 ' HA ' ' C6 ' ' A' ' 14' ' ' ' C' . 0.0 OUTLIER 33.07 113.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.423 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 2.7 ttm180 72.19 147.27 0.08 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.008 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.559 ' HA ' ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER 40.29 36.88 0.37 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.486 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.535 ' CG ' ' HA2' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -95.25 67.01 2.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.741 0.781 . . . . 0.0 110.946 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.984 ' HB3' HD13 ' B' ' 15' ' ' ILE . 2.5 ttm105 -132.05 -49.79 0.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.428 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 1.065 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 83.33 -94.99 1.82 Allowed Glycine 0 CA--C 1.499 -0.952 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.655 ' N ' HD12 ' B' ' 15' ' ' ILE . 6.2 p -103.26 155.73 18.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.537 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.3 OUTLIER -91.57 14.35 15.25 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.347 -179.196 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.609 ' O ' " H3'" ' A' ' 20' ' ' ' C' . . . 141.53 -22.39 2.54 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 119.417 -1.373 . . . . 0.0 115.902 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -166.25 45.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.544 1.172 . . . . 0.0 110.767 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.59 14.74 62.95 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.826 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.488 HH11 ' H41' ' A' ' 23' ' ' ' C' . 6.0 mtt180 -76.27 -2.65 32.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.77 0.285 . . . . 0.0 110.798 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.685 ' HG3' ' CD2' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.42 169.63 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 112.56 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 1.065 HD12 ' C ' ' B' ' 7' ' ' GLY . 1.7 mt -124.91 -22.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -177.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.685 ' CD2' ' HG3' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 11.64 86.11 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.168 0.587 . . . . 0.0 112.502 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.857 ' O ' " H5'" ' A' ' 7' ' ' ' U' . 4.5 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.58 " H2'" " O4'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-C2' 108.255 1.325 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.67 " C2'" " O5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 C2'-C3'-O3' 113.67 0.953 OUTLIER-EPSILON 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.67 " O5'" " C2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-C2' 108.476 1.483 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.573 ' C5 ' ' C5 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 108.516 1.512 OUTLIER-EPSILON 0.552 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.573 ' C5 ' ' C5 ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 108.601 1.572 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.668 " O2'" H5'' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 108.264 1.331 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.668 H5'' " O2'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 C4'-C3'-C2' 103.617 0.917 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.5 " O5'" " C1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 O4'-C1'-C2' 107.969 1.121 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.811 1.008 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.511 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-C1' 100.884 -0.685 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.496 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C1'-C2'-O2' 108.477 -0.708 . 0.01 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 108.296 1.354 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ' U' . . . . . 0.534 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 108.426 1.447 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.476 ' C2 ' ' HG2' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C3'-C2'-O2' 111.134 -0.747 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.57 ' N3 ' ' O ' ' B' ' 1' ' ' GLY . . . . . . . . 0 O4'--C4' 1.439 -1.176 0 C3'-C2'-C1' 103.422 2.135 . 0.202 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.693 ' O2 ' H5'' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C1'-C2' 107.597 0.855 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-O2' 111.245 -0.709 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.552 ' N7 ' ' CA ' ' B' ' 7' ' ' GLY . . . . . . . . 0 O4'--C1' 1.402 -0.97 0 C4'-C3'-C2' 105.465 2.765 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.465 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-C2' 108.511 1.508 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.608 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-C2' 108.359 1.399 . 0.894 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.607 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 107.726 0.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.519 ' N4 ' ' HD3' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 107.724 0.946 . 0.854 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.762 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 108.372 1.408 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.762 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 107.814 1.01 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.649 ' N7 ' ' C2 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 100.728 -0.858 . 0.428 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.636 " O2'" ' P ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C2'-C3'-O3' 114.951 1.411 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ' C' . . . . . 0.636 ' P ' " O2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 108.404 1.431 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.525 " H5'" " O2'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C4'-C3' 103.364 -1.525 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.57 ' O ' ' N3 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 120.224 -0.209 . . . . 0.0 112.946 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER 50.95 126.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 70.59 132.35 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' B' ' 4' ' ' LYS . 14.3 ptpt 41.28 34.26 0.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.944 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -79.32 107.87 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.769 0.795 . . . . 0.0 111.596 -179.331 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.992 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -176.64 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.052 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 1.02 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 77.32 -86.87 1.01 Allowed Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.691 ' N ' HD12 ' B' ' 15' ' ' ILE . 56.5 p -109.53 158.04 18.39 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.878 -0.189 . . . . 0.0 110.771 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.536 ' NH1' ' N7 ' ' A' ' 6' ' ' ' G' . 0.3 OUTLIER -96.72 30.13 2.75 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.998 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.99 94.12 0.75 Allowed Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.187 -0.53 . . . . 0.0 113.209 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 13.7 tptt 104.09 38.66 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.62 0.768 . . . . 0.0 109.465 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.31 23.82 64.82 Favored Glycine 0 N--CA 1.431 -1.66 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.849 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.519 ' CD ' ' H41' ' A' ' 5' ' ' ' C' . 6.3 mtt-85 -67.01 -22.56 65.89 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 117.564 0.682 . . . . 0.0 110.362 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.624 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 26.9 mtmm 64.28 158.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.196 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 1.02 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.3 mt -116.19 -36.61 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.634 ' CE1' ' OP2' ' A' ' 6' ' ' ' G' . 0.0 OUTLIER 21.07 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.824 0.45 . . . . 0.0 111.947 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 4.5 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.553 ' C8 ' ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C4'-C3' 104.395 -0.79 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.615 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 108.469 1.478 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.885 " H2'" " O4'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-C2' 108.577 1.555 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.885 " O4'" " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.141 0 O4'-C1'-C2' 108.225 1.304 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.621 " O2'" ' P ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.103 0 O4'-C4'-C3' 103.136 -1.689 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.621 ' P ' " O2'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C4'-C3' 103.455 -1.461 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.801 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C2'-C3'-O3' 116.393 1.926 OUTLIER-EPSILON 0.164 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.801 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 P-O3'-C3' 120.752 0.876 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . 0.751 " H5'" " O5'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.698 0.927 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.751 " O5'" " H5'" ' A' ' 9' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C3'-C2'-O2' 111.262 -0.703 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.501 " O2'" ' OP1' ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.981 0.781 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.543 " H2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O4'-C1'-C2' 107.861 1.043 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ' U' . . . . . 0.598 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 108.488 1.491 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.869 ' O2 ' H5'' ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C4'-C3' 104.314 -0.847 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.915 " H1'" " O2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C4'-C3' 103.883 -1.155 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.915 " O2'" " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C4'-C3' 103.537 -1.402 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . 0.451 ' C4 ' ' HG3' ' B' ' 3' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C4'-C3' 103.838 -1.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.743 ' H62' ' HA ' ' B' ' 5' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-C2'-O2' 108.582 -0.673 . 0.023 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.483 ' N7 ' ' HA3' ' B' ' 7' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 107.968 1.12 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.625 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-C2' 108.279 1.342 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.625 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-C2' 107.811 1.008 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.419 " O4'" " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C3'-C2'-O2' 111.169 -0.735 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.816 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C4'-C3' 103.55 -1.393 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.816 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.803 1.002 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.844 " H2'" " O4'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C3'-C2'-O2' 111.209 -0.721 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.844 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 108.368 1.406 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C4'-C3' 104.249 -0.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.438 ' N4 ' ' O6 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 109.004 1.86 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.509 ' O ' ' C ' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 119.953 -0.359 . . . . 0.0 113.008 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.509 ' C ' ' O ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -9.16 78.55 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.553 ' HB2' ' C2 ' ' A' ' 15' ' ' ' A' . 0.0 OUTLIER 173.19 106.74 0.01 OUTLIER 'General case' 0 C--N 1.339 0.142 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -179.235 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 15.7 ptpt 38.22 40.47 0.34 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.743 ' HA ' ' H62' ' A' ' 18' ' ' ' A' . 0.0 OUTLIER -66.84 117.65 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.632 0.73 . . . . 0.0 111.985 -178.467 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.964 ' HB3' HD13 ' B' ' 15' ' ' ILE . 2.0 ttt85 179.09 -48.05 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.113 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 1.068 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.03 -85.56 0.68 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.685 ' N ' HD12 ' B' ' 15' ' ' ILE . 72.2 p -110.42 159.86 17.1 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.537 ' NH1' ' C8 ' ' A' ' 6' ' ' ' G' . 2.0 mtt85 -98.89 27.63 4.85 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.18 96.67 0.64 Allowed Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.234 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 5.7 tptm 104.11 38.14 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 123.57 0.748 . . . . 0.0 109.269 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.28 33.34 80.05 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 115.234 -0.894 . . . . 0.0 113.397 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.558 ' CZ ' ' H41' ' A' ' 23' ' ' ' C' . 5.3 mtt180 -79.13 -13.54 59.67 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.985 0.393 . . . . 0.0 110.405 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.593 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 53.91 163.97 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.431 0.634 . . . . 0.0 112.185 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 1.068 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.7 mt -126.29 150.75 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.842 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' O ' ' P ' ' A' ' 7' ' ' ' U' . 0.0 OUTLIER -158.46 83.75 0.83 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 13.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.357 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.467 ' C8 ' ' N7 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 C1'-C2'-O2' 108.305 -0.765 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.529 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 108.336 1.383 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.63 " O2'" ' P ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 108.54 1.528 OUTLIER-EPSILON 0.16 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.63 ' P ' " O2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C4'-C3' 103.919 -1.129 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.556 " O4'" " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C4'-C3' 103.437 -1.474 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.628 ' C8 ' ' NH1' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.979 1.128 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.914 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 C5'-C4'-O4' 108.152 -0.749 OUTLIER-EPSILON 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.914 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 100.715 -0.873 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.514 0.796 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.685 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-O2' 111.23 -0.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.525 " O2'" ' OP1' ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.04 0.84 . 0.125 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.525 ' OP1' " O2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 108.22 1.3 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ' U' . . . . . 0.665 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 108.909 1.792 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.577 " H4'" " O5'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C4'-C3'-C2' 104.179 1.479 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.577 " O5'" " H4'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 C3'-C2'-C1' 100.757 -0.825 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.544 ' C6 ' " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 100.365 -1.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . 0.503 H5'' " O2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 103.919 1.219 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.712 ' H62' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.824 1.017 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.503 " C5'" " O2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C4'-C3' 103.62 -1.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.629 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 O4'-C4'-C3' 103.424 -1.483 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.583 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.92 1.086 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.538 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-C2' 107.702 0.93 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.777 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 108.436 1.454 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.777 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-C2' 107.908 1.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.75 ' H8 ' " O5'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-O2' 111.27 -0.7 . 0.018 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.698 ' H8 ' " O5'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-O2' 111.197 -0.725 . 0.107 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ' C' . . . . . 0.61 ' C4 ' ' N4 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 108.742 1.673 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.61 ' N4 ' ' C4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 108.178 1.27 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.538 ' HB3' ' C2 ' ' A' ' 15' ' ' ' A' . 0.0 OUTLIER -133.39 150.09 51.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.649 0.261 . . . . 0.0 111.527 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER 81.09 -145.11 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.965 178.522 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.514 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 12.9 ptpt -23.55 -44.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.029 0.377 . . . . 0.0 111.801 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.535 ' C ' ' N6 ' ' A' ' 18' ' ' ' A' . 0.0 OUTLIER 10.66 76.38 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.925 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -135.66 -54.64 0.78 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.308 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.986 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 87.17 -98.43 2.37 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.339 -0.934 . . . . 0.0 115.358 177.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.713 ' N ' HD12 ' B' ' 15' ' ' ILE . 26.0 p -106.23 155.42 19.5 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.628 ' NH1' ' C8 ' ' A' ' 6' ' ' ' G' . 0.3 OUTLIER -93.47 26.38 3.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.56 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 92.63 90.63 1.5 Allowed Glycine 0 C--N 1.342 0.902 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.694 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 19.9 tptt 102.89 38.47 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.87 33.11 86.36 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.59 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.569 ' NH1' ' H41' ' A' ' 23' ' ' ' C' . 24.9 mtt180 -83.16 1.35 40.96 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.834 -0.215 . . . . 0.0 111.508 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.737 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.37 164.85 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.03 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.986 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.0 mt -130.69 -59.68 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.737 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.1 OUTLIER 29.58 96.42 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.887 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.622 ' O ' " H5'" ' A' ' 7' ' ' ' U' . 6.4 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.051 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.451 ' C6 ' ' C6 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 C1'-C2'-O2' 108.524 -0.692 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.514 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 108.1 1.214 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.514 " C5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 108.373 1.41 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.553 ' O4 ' ' N6 ' ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-C2' 108.209 1.292 . 0.327 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.624 " C2'" " O5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 C2'-C3'-O3' 114.646 1.302 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.624 " O5'" " C2'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 108.035 1.168 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.93 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C3'-C2'-O2' 111.223 -0.716 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.93 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 N19-C1'-C2' 114.578 0.737 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-O2' 111.259 -0.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.528 ' C8 ' ' N2 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 111.235 -0.712 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.499 " H1'" " O5'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 103.533 0.833 OUTLIER-EPSILON 0.539 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.499 " O5'" " H1'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.679 0.914 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ' U' . . . . . 0.479 " O5'" " C2'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 108.429 1.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.674 ' H6 ' ' O ' ' B' ' 1' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-O2' 111.14 -0.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.719 " O2'" ' N1 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 108.207 1.291 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.719 ' N1 ' " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 107.789 0.992 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . 0.41 ' O2 ' " C2'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C3'-C2'-O2' 111.005 -0.792 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.602 ' C8 ' ' HA3' ' B' ' 7' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 103.798 1.098 . 0.034 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.502 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-C2' 108.308 1.363 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.665 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C4'-C3' 103.228 -1.623 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.665 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-C2' 107.882 1.058 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.537 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-O2' 111.192 -0.727 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.72 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 108.432 1.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.72 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.892 1.066 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.613 ' C5 ' ' N2 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-O2' 111.183 -0.73 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.765 ' H8 ' " O5'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C4'-C3'-C2' 103.667 0.967 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ' C' . . . . . 0.586 ' C4 ' ' N4 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 108.627 1.591 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.586 ' N4 ' ' C4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C4'-C3' 103.559 -1.386 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.674 ' O ' ' H6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.574 ' HG2' ' C2 ' ' A' ' 14' ' ' ' C' . 0.0 OUTLIER -90.45 174.44 7.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.746 0.273 . . . . 0.0 111.185 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' B' ' 2' ' ' ARG . 0.0 OUTLIER 83.25 -175.31 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.909 178.65 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 22.8 pttt -35.7 -43.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' B' ' 1' ' ' GLY . 4.3 mmmt 41.82 -141.23 0.1 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.506 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.855 ' HB3' HD13 ' B' ' 15' ' ' ILE . 39.1 mtt85 67.13 -68.36 0.15 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.297 0.499 . . . . 0.0 110.213 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.857 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 77.91 -73.78 2.08 Favored Glycine 0 CA--C 1.504 -0.614 0 C-N-CA 120.342 -0.933 . . . . 0.0 114.639 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.761 ' N ' HD12 ' B' ' 15' ' ' ILE . 82.3 p -116.64 153.58 32.04 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.537 ' NH1' ' N7 ' ' A' ' 6' ' ' ' G' . 0.6 OUTLIER -95.52 30.1 2.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.461 -0.495 . . . . 0.0 111.674 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.588 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.0 91.45 0.73 Allowed Glycine 0 C--N 1.341 0.831 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.511 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 3.1 tptt 108.32 37.61 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.491 0.716 . . . . 0.0 109.285 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.29 27.93 71.47 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.805 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.535 ' CZ ' ' H41' ' A' ' 23' ' ' ' C' . 5.4 mtt180 -75.31 -10.89 59.86 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.981 0.39 . . . . 0.0 110.893 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.716 ' HB2' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 54.06 171.05 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 120.623 0.249 . . . . 0.0 111.415 179.052 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.857 HD12 ' C ' ' B' ' 7' ' ' GLY . 0.9 OUTLIER -130.05 -59.12 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.414 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.716 ' CE1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 39.56 94.88 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.46 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.59 ' OXT' " H5'" ' A' ' 7' ' ' ' U' . 6.6 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.057 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . 0.739 " H1'" " O5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.423 0.73 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' G' . . . . . 0.739 " O5'" " H1'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 108.325 1.375 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.616 " H5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 O4'-C1'-C2' 108.401 1.429 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ' U' . . . . . 0.588 ' C4 ' ' C4 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.085 0 O4'-C1'-C2' 108.403 1.431 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.681 ' H41' ' HD3' ' B' ' 13' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C4'-C3' 103.561 -1.385 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.617 " O2'" H5'' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 108.333 1.381 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.617 H5'' " O2'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C4'-C3'-O3' 114.188 1.38 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.496 ' H8 ' " O4'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.879 1.056 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-O2' 111.27 -0.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.423 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 C5'-C4'-O4' 108.191 -0.721 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ' G' . . . . . 0.613 ' O6 ' ' HG3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C5'-C4'-O4' 108.115 -0.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ' C' . . . . . 0.504 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-C2' 107.888 1.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ' U' . . . . . 0.504 " O5'" " C2'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 108.451 1.465 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.584 ' C2 ' ' HG2' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C4'-C3' 104.238 -0.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ' A' . . . . . 0.657 ' N3 ' ' H6 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.902 1.073 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ' U' . . . . . 0.657 ' H6 ' ' N3 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 107.779 0.985 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ' U' . . . . . 0.413 " O5'" " C2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 C4'-C3'-C2' 103.648 0.948 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ' A' . . . . . 0.592 ' N6 ' ' HE2' ' B' ' 5' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C1'-C2' 107.894 1.067 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ' G' . . . . . 0.485 " C5'" " O2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 108.4 1.429 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ' C' . . . . . 0.512 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-C2' 107.872 1.051 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ' U' . . . . . 0.579 " H2'" " O4'" ' A' ' 22' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C5'-C4'-O4' 108.195 -0.718 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ' C' . . . . . 0.579 " O4'" " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 103.841 -1.185 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ' C' . . . . . 0.789 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 108.287 1.348 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ' G' . . . . . 0.789 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C2'-C3'-O3' 114.426 1.224 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ' A' . . . . . 0.651 ' P ' " O2'" ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 C3'-C2'-O2' 111.163 -0.737 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ' G' . . . . . 0.445 " C2'" " O5'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.728 0.948 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ' C' . . . . . 0.651 " O2'" " H5'" ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 108.74 1.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ' C' . . . . . 0.651 " H5'" " O2'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 108.36 1.4 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.595 ' O ' ' C4 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 N--CA 1.488 2.113 0 N-CA-C 112.78 -0.128 . . . . 0.0 112.78 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.584 ' HG2' ' C2 ' ' A' ' 14' ' ' ' C' . 0.0 OUTLIER 60.47 160.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.389 -0.477 . . . . 0.0 110.727 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' B' ' 2' ' ' ARG . 1.2 ttm180 82.9 -174.35 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 5.3 pttt -35.0 -45.45 0.27 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.96 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.592 ' HE2' ' N6 ' ' A' ' 18' ' ' ' A' . 2.9 mmmt 36.39 -149.76 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.66 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.879 ' HG2' HD11 ' B' ' 15' ' ' ILE . 15.7 ttm105 75.07 -43.61 0.52 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.218 0.463 . . . . 0.0 110.437 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.871 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 62.35 -83.92 0.03 OUTLIER Glycine 0 C--N 1.337 0.609 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 71.6 p -103.19 170.52 7.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.544 ' HD2' ' C6 ' ' A' ' 6' ' ' ' G' . 0.2 OUTLIER -91.81 11.07 25.96 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.782 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.73 9.07 29.28 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.943 0.737 . . . . 0.0 114.943 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 13' ' ' ARG . 1.6 tptt -163.88 43.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.631 0.716 . . . . 0.0 109.173 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.06 23.18 63.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.9 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.681 ' HD3' ' H41' ' A' ' 5' ' ' ' C' . 18.7 mtt85 -80.27 -10.65 59.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.607 0.242 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.77 ' HB2' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 56.04 163.03 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.138 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.879 HD11 ' HG2' ' B' ' 6' ' ' ARG . 20.9 mt -108.61 -70.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.77 ' CE1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 52.3 94.44 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.237 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 5.4 m-85 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.043 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.623 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -39.11 -42.32 0.91 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.512 ' N ' ' HG2' ' B' ' 4' ' ' LYS . 2.0 mmmt 28.66 100.77 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.1 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.771 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.2 OUTLIER -163.6 -58.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.09 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 0.764 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.95 -84.49 0.8 Allowed Glycine 0 CA--C 1.503 -0.678 0 C-N-CA 120.42 -0.895 . . . . 0.0 114.409 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.692 ' N ' HD12 ' B' ' 15' ' ' ILE . 66.5 p -112.45 156.25 22.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 5.6 mtt180 -86.8 16.51 4.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.23 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.66 4.5 32.08 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.343 0.897 . . . . 0.0 115.343 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -163.6 43.3 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.988 0.894 . . . . 0.0 109.547 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.15 18.24 64.65 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.237 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 37.5 mtt85 -75.39 -16.06 60.4 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.681 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 23.4 mtmm 64.11 171.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.771 HD13 ' HB3' ' B' ' 6' ' ' ARG . 0.9 OUTLIER -129.19 -45.88 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' CB ' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 35.02 90.56 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.093 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.623 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 3.6 m-85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.885 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' B' ' 4' ' ' LYS . 5.8 ttp180 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 111.606 0.225 . . . . 0.0 111.606 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 0.5 OUTLIER 34.62 38.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.905 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 93.57 9.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.6 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.985 ' HB3' HD13 ' B' ' 15' ' ' ILE . 3.0 ttm105 -151.2 -51.55 0.13 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 1.055 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 83.73 -91.59 1.64 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 120.264 -0.97 . . . . 0.0 114.809 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.687 ' N ' HD12 ' B' ' 15' ' ' ILE . 30.1 p -107.74 159.41 16.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' B' ' 13' ' ' ARG . 1.1 mtt85 -97.84 28.72 3.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.668 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.654 ' O ' ' HB2' ' B' ' 11' ' ' LYS . . . 81.56 91.71 0.55 Allowed Glycine 0 C--N 1.344 0.997 0 C-N-CA 121.183 -0.532 . . . . 0.0 113.074 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 0.2 OUTLIER 113.68 36.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 109.014 -179.285 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.31 17.15 70.02 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 115.557 -0.747 . . . . 0.0 113.454 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' B' ' 9' ' ' ARG . 0.4 OUTLIER -81.95 68.11 8.21 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.728 ' HG2' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -36.27 158.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.71 0.767 . . . . 0.0 112.953 -178.222 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 1.055 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.0 mt -105.31 149.52 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.699 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.728 ' CE1' ' HG2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -152.31 80.61 1.24 Allowed 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.804 -178.451 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.46 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 20.6 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.21 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 ttp85 . . . . . 0 N--CA 1.446 -0.625 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 9.2 pttp -36.91 -44.35 0.5 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.163 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' B' ' 6' ' ' ARG . 0.1 OUTLIER 44.84 -156.11 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.266 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.835 ' HB2' HD13 ' B' ' 15' ' ' ILE . 53.0 mtt85 76.17 -62.54 0.42 Allowed 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.062 0.392 . . . . 0.0 110.106 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 0.893 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 72.42 -63.36 1.43 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.566 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.769 ' N ' HD12 ' B' ' 15' ' ' ILE . 20.9 p -117.2 153.83 32.18 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 0.7 OUTLIER -94.17 23.26 5.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.574 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 95.24 89.04 1.74 Allowed Glycine 0 C--N 1.342 0.88 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.519 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 21.5 tptt 105.95 38.24 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.01 30.52 77.97 Favored Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 115.362 -0.835 . . . . 0.0 113.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 37.3 mtt-85 -79.75 -2.45 43.14 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.893 0.347 . . . . 0.0 110.887 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.679 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 47.31 168.63 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.893 HD12 ' C ' ' B' ' 7' ' ' GLY . 1.5 mt -132.74 149.46 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.421 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.597 ' CD2' ' N ' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -152.69 100.35 2.53 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.441 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 11.4 m-85 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.364 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' B' ' 4' ' ' LYS . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' B' ' 5' ' ' LYS . 12.3 pttt -31.54 -44.33 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.134 0.425 . . . . 0.0 110.957 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' B' ' 4' ' ' LYS . 7.0 mmmt 24.5 114.75 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 1.103 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -178.43 -50.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 179.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 1.093 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.33 -91.57 0.74 Allowed Glycine 0 C--O 1.222 -0.598 0 N-CA-C 115.277 0.871 . . . . 0.0 115.277 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.666 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 15.8 p -103.84 160.46 14.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.483 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.2 OUTLIER -91.11 15.62 11.33 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.024 -0.67 . . . . 0.0 112.426 -178.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.43 -5.84 13.0 Favored Glycine 0 C--N 1.345 1.072 0 C-N-CA 120.122 -1.037 . . . . 0.0 115.627 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -163.39 45.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.237 1.019 . . . . 0.0 109.634 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.82 20.53 77.63 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.156 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.524 ' C ' ' CD ' ' B' ' 14' ' ' LYS . 16.0 mtt180 -80.44 0.9 31.38 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.887 -0.184 . . . . 0.0 111.233 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.691 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 44.64 170.36 0.0 OUTLIER 'General case' 0 C--N 1.344 0.353 0 CA-C-O 121.38 0.609 . . . . 0.0 112.557 179.044 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 1.103 HD13 ' HB3' ' B' ' 6' ' ' ARG . 2.2 mt -125.42 -27.9 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -177.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.691 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.1 OUTLIER 9.86 86.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.084 0.554 . . . . 0.0 112.13 179.548 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.487 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 3.7 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.227 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.423 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 2.7 ttm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.89 0.376 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.559 ' HA ' ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER 40.29 36.88 0.37 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.486 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.442 ' CE ' ' HA ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -95.25 67.01 2.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.741 0.781 . . . . 0.0 110.946 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.984 ' HB3' HD13 ' B' ' 15' ' ' ILE . 2.5 ttm105 -132.05 -49.79 0.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.428 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 1.065 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 83.33 -94.99 1.82 Allowed Glycine 0 CA--C 1.499 -0.952 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.655 ' N ' HD12 ' B' ' 15' ' ' ILE . 6.2 p -103.26 155.73 18.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.537 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.3 OUTLIER -91.57 14.35 15.25 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.347 -179.196 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.53 -22.39 2.54 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 119.417 -1.373 . . . . 0.0 115.902 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -166.25 45.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.544 1.172 . . . . 0.0 110.767 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.59 14.74 62.95 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.826 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.488 ' O ' ' O ' ' B' ' 14' ' ' LYS . 6.0 mtt180 -76.27 -2.65 32.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.77 0.285 . . . . 0.0 110.798 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.672 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.42 169.63 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 112.56 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 1.065 HD12 ' C ' ' B' ' 7' ' ' GLY . 1.7 mt -124.91 -22.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -177.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.672 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.1 OUTLIER 11.64 86.11 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.168 0.587 . . . . 0.0 112.502 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' B' ' 4' ' ' LYS . 4.5 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' B' ' 4' ' ' LYS . 14.3 ptpt 41.28 34.26 0.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.944 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 107.87 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.769 0.795 . . . . 0.0 111.596 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.992 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -176.64 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.052 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 1.02 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 77.32 -86.87 1.01 Allowed Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.691 ' N ' HD12 ' B' ' 15' ' ' ILE . 56.5 p -109.53 158.04 18.39 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.878 -0.189 . . . . 0.0 110.771 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.526 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.3 OUTLIER -96.72 30.13 2.75 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.998 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.99 94.12 0.75 Allowed Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.187 -0.53 . . . . 0.0 113.209 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 13.7 tptt 104.09 38.66 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.62 0.768 . . . . 0.0 109.465 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.31 23.82 64.82 Favored Glycine 0 N--CA 1.431 -1.66 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.849 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.453 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 6.3 mtt-85 -67.01 -22.56 65.89 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 117.564 0.682 . . . . 0.0 110.362 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.624 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 26.9 mtmm 64.28 158.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.196 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 1.02 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.3 mt -116.19 -36.61 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 21.07 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.824 0.45 . . . . 0.0 111.947 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 4.5 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.478 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 15.7 ptpt 38.22 40.47 0.34 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -66.84 117.65 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.632 0.73 . . . . 0.0 111.985 -178.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.964 ' HB3' HD13 ' B' ' 15' ' ' ILE . 2.0 ttt85 179.09 -48.05 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.113 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 1.068 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.03 -85.56 0.68 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.685 ' N ' HD12 ' B' ' 15' ' ' ILE . 72.2 p -110.42 159.86 17.1 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 2.0 mtt85 -98.89 27.63 4.85 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.18 96.67 0.64 Allowed Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.234 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 5.7 tptm 104.11 38.14 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 123.57 0.748 . . . . 0.0 109.269 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.28 33.34 80.05 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 115.234 -0.894 . . . . 0.0 113.397 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 5.3 mtt180 -79.13 -13.54 59.67 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.985 0.393 . . . . 0.0 110.405 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.593 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 53.91 163.97 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.431 0.634 . . . . 0.0 112.185 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 1.068 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.7 mt -126.29 150.75 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.842 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.478 ' CG ' ' C ' ' B' ' 15' ' ' ILE . 0.2 OUTLIER -158.46 83.75 0.83 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 13.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.357 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.965 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.514 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 12.9 ptpt -23.55 -44.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.029 0.377 . . . . 0.0 111.801 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER 10.66 76.38 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.925 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -135.66 -54.64 0.78 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.308 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 0.986 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 87.17 -98.43 2.37 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.339 -0.934 . . . . 0.0 115.358 177.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.713 ' N ' HD12 ' B' ' 15' ' ' ILE . 26.0 p -106.23 155.42 19.5 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.627 ' NH1' ' O ' ' B' ' 14' ' ' LYS . 0.3 OUTLIER -93.47 26.38 3.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.56 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 92.63 90.63 1.5 Allowed Glycine 0 C--N 1.342 0.902 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.694 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 19.9 tptt 102.89 38.47 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.87 33.11 86.36 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.59 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.521 ' HB2' ' CB ' ' B' ' 9' ' ' ARG . 24.9 mtt180 -83.16 1.35 40.96 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.834 -0.215 . . . . 0.0 111.508 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.671 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.37 164.85 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.03 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.986 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.0 mt -130.69 -59.68 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.671 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 29.58 96.42 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.887 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.514 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 6.4 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.051 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 22.8 pttt -35.7 -43.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' B' ' 6' ' ' ARG . 4.3 mmmt 41.82 -141.23 0.1 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.506 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.855 ' HB3' HD13 ' B' ' 15' ' ' ILE . 39.1 mtt85 67.13 -68.36 0.15 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.297 0.499 . . . . 0.0 110.213 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 0.857 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 77.91 -73.78 2.08 Favored Glycine 0 CA--C 1.504 -0.614 0 C-N-CA 120.342 -0.933 . . . . 0.0 114.639 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.761 ' N ' HD12 ' B' ' 15' ' ' ILE . 82.3 p -116.64 153.58 32.04 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.524 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.6 OUTLIER -95.52 30.1 2.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.461 -0.495 . . . . 0.0 111.674 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.588 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.0 91.45 0.73 Allowed Glycine 0 C--N 1.341 0.831 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.511 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 3.1 tptt 108.32 37.61 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.491 0.716 . . . . 0.0 109.285 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.29 27.93 71.47 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.805 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.465 ' C ' ' HD3' ' B' ' 14' ' ' LYS . 5.4 mtt180 -75.31 -10.89 59.86 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.981 0.39 . . . . 0.0 110.893 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.633 ' CA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 54.06 171.05 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 120.623 0.249 . . . . 0.0 111.415 179.052 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.857 HD12 ' C ' ' B' ' 7' ' ' GLY . 0.9 OUTLIER -130.05 -59.12 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.546 ' CE1' ' CB ' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 39.56 94.88 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.46 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 6.6 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.057 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 5.3 pttt -35.0 -45.45 0.27 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.96 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' B' ' 6' ' ' ARG . 2.9 mmmt 36.39 -149.76 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.66 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.879 ' HG2' HD11 ' B' ' 15' ' ' ILE . 15.7 ttm105 75.07 -43.61 0.52 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.218 0.463 . . . . 0.0 110.437 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . 0.871 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 62.35 -83.92 0.03 OUTLIER Glycine 0 C--N 1.337 0.609 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 71.6 p -103.19 170.52 7.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . 0.538 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.2 OUTLIER -91.81 11.07 25.96 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.782 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.73 9.07 29.28 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.943 0.737 . . . . 0.0 114.943 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 13' ' ' ARG . 1.6 tptt -163.88 43.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.631 0.716 . . . . 0.0 109.173 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.06 23.18 63.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.9 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.445 ' C ' ' HD3' ' B' ' 14' ' ' LYS . 18.7 mtt85 -80.27 -10.65 59.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.607 0.242 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' NE2' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 56.04 163.03 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.138 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.879 HD11 ' HG2' ' B' ' 6' ' ' ARG . 20.9 mt -108.61 -70.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.583 ' NE2' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 52.3 94.44 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.237 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 5.4 m-85 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.043 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.584 ' C8 ' ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 104.327 -0.838 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.584 ' C8 ' ' C8 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-C2' 108.448 1.463 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.628 " O2'" ' P ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-C2' 108.231 1.308 OUTLIER-EPSILON 0.198 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.631 " O2'" " H5'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C4'-C3' 103.022 -1.77 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.673 ' H41' ' HD3' ' B' ' 13' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C4'-C3' 103.035 -1.761 . 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.565 ' C6 ' ' N4 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C1'-C2' 108.003 1.145 OUTLIER-EPSILON 0.528 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 1.05 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 C5'-C4'-O4' 107.952 -0.892 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 1.05 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 N19-C1'-C2' 114.948 0.968 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . 0.568 ' O2 ' " O4'" ' A' ' 9' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.401 0.715 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.67 ' H62' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 107.71 0.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.546 ' N7 ' ' NE ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-C2'-O2' 108.55 -0.683 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.457 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.989 1.135 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' U' . . . . . 0.56 " H2'" ' O4 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 108.576 1.554 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.456 ' O2 ' " O4'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C3'-C2'-C1' 100.808 -0.769 . 0.584 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.522 " O2'" ' P ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 108.185 1.275 . 0.0 OUTLIER '7D dist 4s' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.606 ' H6 ' " O5'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C4'-C3'-O3' 113.932 1.282 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 2z wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . 0.504 ' C4 ' ' NE ' ' B' ' 3' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C4'-C3' 103.624 -1.34 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.539 ' H62' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C3'-C2'-O2' 111.238 -0.711 . 0.051 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.539 ' H8 ' " O2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 108.269 1.335 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.634 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C4'-C3' 103.397 -1.502 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.564 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-O2' 111.181 -0.731 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.603 ' N4 ' ' HD2' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 C3'-C2'-O2' 111.235 -0.712 . 0.481 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.831 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 108.415 1.44 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.831 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.599 0.856 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.772 ' H8 ' " O5'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-O2' 111.248 -0.707 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.527 " H5'" " O2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 108.103 1.216 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ' C' . . . . . 0.409 " O4'" " O3'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C4'-C3' 104.068 -1.023 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.477 ' N4 ' ' O6 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 108.955 1.825 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' B' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.487 2.037 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.496 ' O ' ' N1 ' ' A' ' 15' ' ' ' A' . 0.1 OUTLIER -58.29 84.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.795 0.298 . . . . 0.0 111.131 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.504 ' NE ' ' C4 ' ' A' ' 17' ' ' ' U' . 0.0 OUTLIER -177.04 -178.47 0.82 Allowed 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.623 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -39.11 -42.32 0.91 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.544 ' HB3' ' O4 ' ' A' ' 13' ' ' ' U' . 2.0 mmmt 28.66 100.77 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.1 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.771 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.2 OUTLIER -163.6 -58.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.09 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.764 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.95 -84.49 0.8 Allowed Glycine 0 CA--C 1.503 -0.678 0 C-N-CA 120.42 -0.895 . . . . 0.0 114.409 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.692 ' N ' HD12 ' B' ' 15' ' ' ILE . 66.5 p -112.45 156.25 22.87 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.709 ' NH2' ' C5 ' ' A' ' 7' ' ' ' U' . 5.6 mtt180 -86.8 16.51 4.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.23 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.66 4.5 32.08 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 115.343 0.897 . . . . 0.0 115.343 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.5 tptt -163.6 43.3 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.988 0.894 . . . . 0.0 109.547 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.15 18.24 64.65 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.237 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.673 ' HD3' ' H41' ' A' ' 5' ' ' ' C' . 37.5 mtt85 -75.39 -16.06 60.4 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.843 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.681 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 23.4 mtmm 64.11 171.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 1.034 HG23 ' C5 ' ' A' ' 7' ' ' ' U' . 0.9 OUTLIER -129.19 -45.88 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -176.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.585 ' O ' H5'' ' A' ' 7' ' ' ' U' . 0.0 OUTLIER 35.02 90.56 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.093 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.623 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 3.6 m-85 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.885 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.454 " O2'" " O5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 C1'-C2'-O2' 108.24 -0.787 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.558 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 108.636 1.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.558 " C5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 108.62 1.586 . 0.258 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.531 " H2'" " O4'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-C2' 108.086 1.204 . 0.763 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.586 ' P ' ' HZ1' ' B' ' 14' ' ' LYS . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 O4'-C1'-C2' 108.246 1.318 . 0.336 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.613 ' N7 ' ' NH1' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 108.169 1.264 . 0.014 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.97 ' O2 ' " H2'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C2'-C3'-O3' 114.406 1.216 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.97 " H2'" ' O2 ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-O2' 111.162 -0.737 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . 0.688 H5'' ' O2 ' ' A' ' 9' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-O2' 111.319 -0.683 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.552 ' C4 ' ' N2 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-O2' 111.201 -0.724 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.446 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C1'-C2'-O2' 108.41 -0.73 . 0.412 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.61 " O2'" " H5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 108.035 1.168 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ' U' . . . . . 0.631 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C4'-C3' 103.276 -1.588 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.729 ' H6 ' ' O ' ' B' ' 1' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.724 0.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.604 " O3'" ' H6 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.523 0.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.604 ' H6 ' " O3'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 N19-C1'-C2' 116.093 1.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . 0.49 ' C2 ' ' HD3' ' B' ' 4' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C4'-C3' 103.483 -1.441 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.631 ' N6 ' ' O4 ' ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.527 0.805 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.475 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-C2' 108.004 1.146 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.594 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-C2' 108.106 1.218 . 0.133 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.594 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-O2' 111.134 -0.747 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.559 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 107.611 0.865 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.761 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 108.441 1.458 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.761 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.737 0.955 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.745 ' H8 ' " O5'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-O2' 111.287 -0.694 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.699 " O2'" " H5'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 108.386 1.419 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ' C' . . . . . 0.699 " H5'" " O2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 108.609 1.578 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.574 ' N4 ' ' N4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C4'-C3' 103.742 -1.256 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.729 ' O ' ' H6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 112.181 -0.368 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.561 ' HB3' ' C6 ' ' A' ' 15' ' ' ' A' . 1.1 tmm_? -118.96 154.39 33.09 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.991 0.395 . . . . 0.0 111.549 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' B' ' 4' ' ' LYS . 5.8 ttp180 62.56 139.63 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.606 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.49 ' HD3' ' C2 ' ' A' ' 17' ' ' ' U' . 0.5 OUTLIER 34.62 38.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.905 -179.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.549 ' HA ' ' H62' ' A' ' 18' ' ' ' A' . 0.0 OUTLIER -86.72 93.57 9.28 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.6 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.985 ' HB3' HD13 ' B' ' 15' ' ' ILE . 3.0 ttm105 -151.2 -51.55 0.13 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 1.055 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 83.73 -91.59 1.64 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 120.264 -0.97 . . . . 0.0 114.809 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.687 ' N ' HD12 ' B' ' 15' ' ' ILE . 30.1 p -107.74 159.41 16.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.613 ' NH1' ' N7 ' ' A' ' 6' ' ' ' G' . 1.1 mtt85 -97.84 28.72 3.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.668 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.654 ' O ' ' HB2' ' B' ' 11' ' ' LYS . . . 81.56 91.71 0.55 Allowed Glycine 0 C--N 1.344 0.997 0 C-N-CA 121.183 -0.532 . . . . 0.0 113.074 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' B' ' 10' ' ' GLY . 0.2 OUTLIER 113.68 36.32 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.09 0.956 . . . . 0.0 109.014 -179.285 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.31 17.15 70.02 Favored Glycine 0 N--CA 1.433 -1.538 0 CA-C-N 115.557 -0.747 . . . . 0.0 113.454 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.555 ' O ' ' HG3' ' B' ' 9' ' ' ARG . 0.4 OUTLIER -81.95 68.11 8.21 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.728 ' HG2' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -36.27 158.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.71 0.767 . . . . 0.0 112.953 -178.222 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 1.055 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.0 mt -105.31 149.52 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.699 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.728 ' CE1' ' HG2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER -152.31 80.61 1.24 Allowed 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.804 -178.451 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.816 ' OXT' " H5'" ' A' ' 7' ' ' ' U' . 20.6 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.21 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.633 ' N7 ' ' N7 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 108.163 1.259 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.686 " C2'" " O5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C2'-C3'-O3' 113.999 1.071 OUTLIER-EPSILON 0.028 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.686 " O5'" " C2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C4'-C3' 103.707 -1.28 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.765 " O2'" " H5'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C4'-C3' 103.436 -1.474 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.765 " H5'" " O2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C4'-C3' 103.569 -1.38 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.642 " O2'" ' P ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 C2'-C3'-O3' 114.864 1.38 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.955 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C4'-C3'-C2' 103.841 1.141 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.955 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 N19-C1'-C2' 114.717 0.823 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-C2' 107.632 0.88 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.46 ' C2 ' ' C2 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-O2' 111.174 -0.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.512 ' O6 ' ' N4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C1'-C2'-O2' 108.475 -0.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.44 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-C2' 107.975 1.125 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ' U' . . . . . 0.62 " O2'" " H5'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 108.589 1.563 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.721 " H5'" ' O4 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 104.21 1.51 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.526 " O4'" " O3'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.69 0.921 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.721 ' O4 ' " H5'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.094 0 C4'-C3'-O3' 113.711 1.197 OUTLIER-EPSILON 0.06 2z . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . 0.586 ' H5 ' " O2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C1'-C2' 107.51 0.793 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.579 ' C8 ' ' HA3' ' B' ' 7' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C1'-C2' 107.798 0.998 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.545 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 108.269 1.335 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.604 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 108.363 1.402 . 0.838 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.519 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-C2' 107.656 0.897 . 0.236 1f . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.54 " H2'" ' O2 ' ' A' ' 22' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C3'-C2'-O2' 111.213 -0.72 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.701 " H2'" ' N7 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C1'-C2'-O2' 107.368 -1.077 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.701 ' N7 ' " H2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C3'-C2'-C1' 100.516 -1.093 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.547 ' C4 ' ' N2 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 C3'-C2'-O2' 111.128 -0.749 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.434 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-C2' 107.468 0.763 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ' C' . . . . . 0.557 ' N4 ' ' H41' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 108.702 1.644 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.557 ' H41' ' N4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.105 0 O4'-C4'-C3' 103.044 -1.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.08 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.705 ' HG2' ' C2 ' ' A' ' 14' ' ' ' C' . 13.1 mtt180 -75.77 94.65 3.32 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.483 ' NE ' ' C2 ' ' A' ' 17' ' ' ' U' . 6.1 ttp85 179.96 -174.33 0.26 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 119.845 -0.742 . . . . 0.0 112.436 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 9.2 pttp -36.91 -44.35 0.5 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.163 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.493 ' HE3' ' C6 ' ' A' ' 18' ' ' ' A' . 0.1 OUTLIER 44.84 -156.11 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.266 179.194 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.835 ' HB2' HD13 ' B' ' 15' ' ' ILE . 53.0 mtt85 76.17 -62.54 0.42 Allowed 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 118.062 0.392 . . . . 0.0 110.106 -177.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.893 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 72.42 -63.36 1.43 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.566 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.769 ' N ' HD12 ' B' ' 15' ' ' ILE . 20.9 p -117.2 153.83 32.18 Favored 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' B' ' 13' ' ' ARG . 0.7 OUTLIER -94.17 23.26 5.17 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.574 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 95.24 89.04 1.74 Allowed Glycine 0 C--N 1.342 0.88 0 C-N-CA 120.849 -0.691 . . . . 0.0 113.519 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 21.5 tptt 105.95 38.24 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.01 30.52 77.97 Favored Glycine 0 N--CA 1.429 -1.81 0 CA-C-N 115.362 -0.835 . . . . 0.0 113.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.629 ' HB2' ' HB2' ' B' ' 9' ' ' ARG . 37.3 mtt-85 -79.75 -2.45 43.14 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.893 0.347 . . . . 0.0 110.887 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.679 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 47.31 168.63 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.893 HD12 ' C ' ' B' ' 7' ' ' GLY . 1.5 mt -132.74 149.46 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.959 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.421 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.597 ' CD2' ' N ' ' B' ' 16' ' ' HIS . 0.0 OUTLIER -152.69 100.35 2.53 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.441 -178.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 11.4 m-85 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.364 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.664 ' N7 ' ' N9 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C4'-C3' 103.93 -1.121 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.664 ' N9 ' ' N7 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-C2' 108.522 1.516 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.736 " H2'" " O4'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 108.638 1.598 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.736 " O4'" " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-C2' 108.439 1.457 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.492 ' N3 ' ' O6 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 O4'-C1'-C2' 108.592 1.566 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.617 HO2' ' P ' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 108.272 1.337 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 1.041 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C4'-C3'-C2' 103.6 0.9 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 1.041 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 100.779 -0.801 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-O2' 111.302 -0.689 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.566 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C3'-C2'-O2' 111.269 -0.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.519 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.553 0.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.423 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 108.214 1.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ' U' . . . . . 0.571 ' O4 ' ' HB3' ' B' ' 5' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 108.741 1.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.614 ' C6 ' ' N ' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-C2' 107.644 0.889 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.744 " O2'" " H2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C1'-C2' 108.32 1.372 . 0.01 4s . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.744 " H2'" " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 C3'-C2'-O2' 111.262 -0.703 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . 0.486 ' O2 ' " C2'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-O2' 111.122 -0.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.533 ' H62' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C1'-C2'-O2' 108.495 -0.702 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.457 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 108.06 1.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.634 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 108.077 1.198 . 0.351 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.634 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 107.793 0.995 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.46 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-O2' 111.331 -0.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.849 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-C2' 108.33 1.379 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.849 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.778 0.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.898 " H2'" " O4'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-O2' 111.174 -0.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.898 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-C2' 108.674 1.624 . 0.054 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.13 0 O4'-C4'-C3' 104.401 -0.785 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.474 ' N4 ' ' O6 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 104.624 1.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.446 ' HA3' ' C2 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 120.21 -0.217 . . . . 0.0 112.86 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.622 ' O ' ' CB ' ' B' ' 3' ' ' ARG . 3.9 ttt85 72.56 153.49 0.13 Allowed 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.622 ' CB ' ' O ' ' B' ' 2' ' ' ARG . 0.4 OUTLIER 94.65 179.01 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' B' ' 5' ' ' LYS . 12.3 pttt -31.54 -44.33 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.134 0.425 . . . . 0.0 110.957 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.571 ' HB3' ' O4 ' ' A' ' 13' ' ' ' U' . 7.0 mmmt 24.5 114.75 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 1.103 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -178.43 -50.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.913 179.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 1.093 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.33 -91.57 0.74 Allowed Glycine 0 C--O 1.222 -0.598 0 N-CA-C 115.277 0.871 . . . . 0.0 115.277 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.666 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 15.8 p -103.84 160.46 14.78 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.516 ' HD2' ' N7 ' ' A' ' 6' ' ' ' G' . 0.2 OUTLIER -91.11 15.62 11.33 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.024 -0.67 . . . . 0.0 112.426 -178.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.43 -5.84 13.0 Favored Glycine 0 C--N 1.345 1.072 0 C-N-CA 120.122 -1.037 . . . . 0.0 115.627 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -163.39 45.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.237 1.019 . . . . 0.0 109.634 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.82 20.53 77.63 Favored Glycine 0 N--CA 1.433 -1.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.156 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.594 ' NH1' ' H41' ' A' ' 23' ' ' ' C' . 16.0 mtt180 -80.44 0.9 31.38 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.887 -0.184 . . . . 0.0 111.233 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.691 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 44.64 170.36 0.0 OUTLIER 'General case' 0 C--N 1.344 0.353 0 CA-C-O 121.38 0.609 . . . . 0.0 112.557 179.044 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 1.103 HD13 ' HB3' ' B' ' 6' ' ' ARG . 2.2 mt -125.42 -27.9 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -177.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.691 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.1 OUTLIER 9.86 86.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.084 0.554 . . . . 0.0 112.13 179.548 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.871 ' O ' " H5'" ' A' ' 7' ' ' ' U' . 3.7 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.227 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.452 " O2'" " O5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C3'-C2'-C1' 100.769 -0.812 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.56 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 108.624 1.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.56 " C5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 108.495 1.497 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.567 ' O4 ' ' N6 ' ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 108.306 1.361 OUTLIER-EPSILON 0.609 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.553 ' N4 ' ' O6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-C2' 108.491 1.494 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.602 " C2'" ' OP1' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-C2' 108.241 1.315 OUTLIER-EPSILON 0.126 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 1.092 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 C4'-C3'-C2' 103.854 1.154 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 1.092 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C4'-C3'-C2' 103.729 1.029 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.501 0.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.523 ' C5 ' ' N2 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C3'-C2'-O2' 111.176 -0.733 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.473 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.975 1.125 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.506 " C2'" ' OP1' ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 108.113 1.224 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ' U' . . . . . 0.506 ' OP1' " C2'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 108.936 1.811 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.572 ' C6 ' ' HA ' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 107.66 0.9 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.505 " O2'" ' C6 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-C2' 107.849 1.035 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.505 ' C6 ' " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-C1' 100.61 -0.989 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . 0.482 ' C6 ' ' O2 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-O2' 111.179 -0.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.681 ' N7 ' ' CA ' ' B' ' 7' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-C2' 108.072 1.195 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.532 H5'' HG21 ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C4'-C3' 103.537 -1.402 . 0.072 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.615 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-C2' 107.861 1.043 . 0.012 1f . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.615 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 108.172 1.266 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.572 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 107.559 0.828 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.921 HO2' ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 108.023 1.159 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.921 ' H8 ' HO2' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 100.874 -0.696 . 0.114 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.731 " H2'" " O4'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-O2' 111.219 -0.718 . 0.069 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.731 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-C2' 108.377 1.412 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ' C' . . . . . 0.848 " O2'" " H5'" ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C1'-C2' 107.906 1.076 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.848 " H5'" " O2'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O4'-C4'-C3' 102.901 -1.856 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.537 ' O ' ' O ' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.487 2.094 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.572 ' HA ' ' C6 ' ' A' ' 14' ' ' ' C' . 0.0 OUTLIER 33.07 113.74 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.423 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 2.7 ttm180 72.19 147.27 0.08 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.008 178.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.559 ' HA ' ' CE1' ' B' ' 17' ' ' TYR . 0.1 OUTLIER 40.29 36.88 0.37 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.486 -179.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.535 ' CG ' ' HA2' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -95.25 67.01 2.95 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.741 0.781 . . . . 0.0 110.946 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.984 ' HB3' HD13 ' B' ' 15' ' ' ILE . 2.5 ttm105 -132.05 -49.79 0.95 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.428 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 1.065 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 83.33 -94.99 1.82 Allowed Glycine 0 CA--C 1.499 -0.952 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.655 ' N ' HD12 ' B' ' 15' ' ' ILE . 6.2 p -103.26 155.73 18.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.537 ' CZ ' ' HA ' ' B' ' 15' ' ' ILE . 0.3 OUTLIER -91.57 14.35 15.25 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 119.838 -0.745 . . . . 0.0 112.347 -179.196 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.609 ' O ' " H3'" ' A' ' 20' ' ' ' C' . . . 141.53 -22.39 2.54 Favored Glycine 0 C--N 1.346 1.088 0 C-N-CA 119.417 -1.373 . . . . 0.0 115.902 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -166.25 45.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 118.544 1.172 . . . . 0.0 110.767 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.59 14.74 62.95 Favored Glycine 0 N--CA 1.434 -1.45 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.826 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.488 HH11 ' H41' ' A' ' 23' ' ' ' C' . 6.0 mtt180 -76.27 -2.65 32.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.77 0.285 . . . . 0.0 110.798 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.672 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.42 169.63 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 112.56 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 1.065 HD12 ' C ' ' B' ' 7' ' ' GLY . 1.7 mt -124.91 -22.11 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -177.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.672 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.1 OUTLIER 11.64 86.11 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.168 0.587 . . . . 0.0 112.502 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.857 ' O ' " H5'" ' A' ' 7' ' ' ' U' . 4.5 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.58 " H2'" " O4'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-C2' 108.255 1.325 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.67 " C2'" " O5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 C2'-C3'-O3' 113.67 0.953 OUTLIER-EPSILON 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.67 " O5'" " C2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-C2' 108.476 1.483 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.573 ' C5 ' ' C5 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 108.516 1.512 OUTLIER-EPSILON 0.552 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.573 ' C5 ' ' C5 ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 108.601 1.572 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.668 " O2'" H5'' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 108.264 1.331 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.668 H5'' " O2'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 C4'-C3'-C2' 103.617 0.917 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.5 " O5'" " C1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 O4'-C1'-C2' 107.969 1.121 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.811 1.008 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.511 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-C1' 100.884 -0.685 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.496 ' O6 ' ' CG ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C1'-C2'-O2' 108.477 -0.708 . 0.01 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 108.296 1.354 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ' U' . . . . . 0.534 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 108.426 1.447 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.476 ' C2 ' ' HG2' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C3'-C2'-O2' 111.134 -0.747 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.57 ' N3 ' ' O ' ' B' ' 1' ' ' GLY . . . . . . . . 0 O4'--C4' 1.439 -1.176 0 C3'-C2'-C1' 103.422 2.135 . 0.202 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.693 ' O2 ' H5'' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C1'-C2' 107.597 0.855 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-O2' 111.245 -0.709 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.552 ' N7 ' ' CA ' ' B' ' 7' ' ' GLY . . . . . . . . 0 O4'--C1' 1.402 -0.97 0 C4'-C3'-C2' 105.465 2.765 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.465 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-C2' 108.511 1.508 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.608 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-C2' 108.359 1.399 . 0.894 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.607 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 107.726 0.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.519 ' N4 ' ' HD3' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 107.724 0.946 . 0.854 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.762 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 108.372 1.408 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.762 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 107.814 1.01 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.649 ' N7 ' ' C2 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 100.728 -0.858 . 0.428 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.636 " O2'" ' P ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C2'-C3'-O3' 114.951 1.411 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ' C' . . . . . 0.636 ' P ' " O2'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 108.404 1.431 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.525 " H5'" " O2'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C4'-C3' 103.364 -1.525 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.57 ' O ' ' N3 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 120.224 -0.209 . . . . 0.0 112.946 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER 50.95 126.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 70.59 132.35 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' B' ' 4' ' ' LYS . 14.3 ptpt 41.28 34.26 0.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.944 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -79.32 107.87 12.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.769 0.795 . . . . 0.0 111.596 -179.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.992 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.4 OUTLIER -176.64 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.052 -179.367 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 1.02 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 77.32 -86.87 1.01 Allowed Glycine 0 CA--C 1.504 -0.651 0 N-CA-C 116.297 1.279 . . . . 0.0 116.297 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.691 ' N ' HD12 ' B' ' 15' ' ' ILE . 56.5 p -109.53 158.04 18.39 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.878 -0.189 . . . . 0.0 110.771 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.536 ' NH1' ' N7 ' ' A' ' 6' ' ' ' G' . 0.3 OUTLIER -96.72 30.13 2.75 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.998 179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.99 94.12 0.75 Allowed Glycine 0 C--N 1.34 0.803 0 C-N-CA 121.187 -0.53 . . . . 0.0 113.209 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 13.7 tptt 104.09 38.66 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 123.62 0.768 . . . . 0.0 109.465 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.31 23.82 64.82 Favored Glycine 0 N--CA 1.431 -1.66 0 CA-C-N 115.261 -0.881 . . . . 0.0 113.849 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.519 ' CD ' ' H41' ' A' ' 5' ' ' ' C' . 6.3 mtt-85 -67.01 -22.56 65.89 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 117.564 0.682 . . . . 0.0 110.362 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.624 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 26.9 mtmm 64.28 158.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.196 179.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 1.02 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.3 mt -116.19 -36.61 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 21.07 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.824 0.45 . . . . 0.0 111.947 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 4.5 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.553 ' C8 ' ' C8 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C4'-C3' 104.395 -0.79 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.615 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 108.469 1.478 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.885 " H2'" " O4'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-C2' 108.577 1.555 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.885 " O4'" " H2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.141 0 O4'-C1'-C2' 108.225 1.304 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.621 " O2'" ' P ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.103 0 O4'-C4'-C3' 103.136 -1.689 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.621 ' P ' " O2'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C4'-C3' 103.455 -1.461 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.801 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C2'-C3'-O3' 116.393 1.926 OUTLIER-EPSILON 0.164 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.801 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 P-O3'-C3' 120.752 0.876 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . 0.751 " H5'" " O5'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.698 0.927 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.751 " O5'" " H5'" ' A' ' 9' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C3'-C2'-O2' 111.262 -0.703 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.501 " O2'" ' OP1' ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-N19 108.981 0.781 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.543 " H2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O4'-C1'-C2' 107.861 1.043 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ' U' . . . . . 0.598 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 108.488 1.491 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.869 ' O2 ' H5'' ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C4'-C3' 104.314 -0.847 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.915 " H1'" " O2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C4'-C3' 103.883 -1.155 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.915 " O2'" " H1'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C4'-C3' 103.537 -1.402 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . 0.451 ' C4 ' ' HG3' ' B' ' 3' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C4'-C3' 103.838 -1.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.743 ' H62' ' HA ' ' B' ' 5' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-C2'-O2' 108.582 -0.673 . 0.023 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.483 ' N7 ' ' HA3' ' B' ' 7' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 107.968 1.12 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.625 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-C2' 108.279 1.342 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.625 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.0 0 O4'-C1'-C2' 107.811 1.008 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.419 " O4'" " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C3'-C2'-O2' 111.169 -0.735 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.816 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C4'-C3' 103.55 -1.393 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.816 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.803 1.002 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.844 " H2'" " O4'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C3'-C2'-O2' 111.209 -0.721 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.844 " O4'" " H2'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 108.368 1.406 . 0.362 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C4'-C3' 104.249 -0.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.438 ' N4 ' ' O6 ' ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 109.004 1.86 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.509 ' O ' ' C ' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 119.953 -0.359 . . . . 0.0 113.008 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.509 ' C ' ' O ' ' B' ' 1' ' ' GLY . 0.0 OUTLIER -9.16 78.55 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.553 ' HB2' ' C2 ' ' A' ' 15' ' ' ' A' . 0.0 OUTLIER 173.19 106.74 0.01 OUTLIER 'General case' 0 C--N 1.339 0.142 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -179.235 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 15.7 ptpt 38.22 40.47 0.34 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 111.154 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.743 ' HA ' ' H62' ' A' ' 18' ' ' ' A' . 0.0 OUTLIER -66.84 117.65 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.632 0.73 . . . . 0.0 111.985 -178.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.964 ' HB3' HD13 ' B' ' 15' ' ' ILE . 2.0 ttt85 179.09 -48.05 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.113 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 1.068 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 74.03 -85.56 0.68 Allowed Glycine 0 CA--C 1.504 -0.654 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.685 ' N ' HD12 ' B' ' 15' ' ' ILE . 72.2 p -110.42 159.86 17.1 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.537 ' NH1' ' C8 ' ' A' ' 6' ' ' ' G' . 2.0 mtt85 -98.89 27.63 4.85 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.18 96.67 0.64 Allowed Glycine 0 C--N 1.34 0.799 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.234 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 5.7 tptm 104.11 38.14 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 123.57 0.748 . . . . 0.0 109.269 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.28 33.34 80.05 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 115.234 -0.894 . . . . 0.0 113.397 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.558 ' CZ ' ' H41' ' A' ' 23' ' ' ' C' . 5.3 mtt180 -79.13 -13.54 59.67 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.985 0.393 . . . . 0.0 110.405 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.593 ' HA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 53.91 163.97 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.431 0.634 . . . . 0.0 112.185 179.103 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 1.068 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.7 mt -126.29 150.75 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.842 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.522 ' O ' ' P ' ' A' ' 7' ' ' ' U' . 0.2 OUTLIER -158.46 83.75 0.83 Allowed 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.955 0.407 . . . . 0.0 110.341 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' B' ' 4' ' ' LYS . 13.1 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.357 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.467 ' C8 ' ' N7 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 C1'-C2'-O2' 108.305 -0.765 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.529 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 108.336 1.383 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.63 " O2'" ' P ' ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 108.54 1.528 OUTLIER-EPSILON 0.16 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.63 ' P ' " O2'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C4'-C3' 103.919 -1.129 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.556 " O4'" " H2'" ' A' ' 4' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C4'-C3' 103.437 -1.474 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.628 ' C8 ' ' NH1' ' B' ' 9' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.979 1.128 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.914 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 C5'-C4'-O4' 108.152 -0.749 OUTLIER-EPSILON 0.01 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.914 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 100.715 -0.873 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.514 0.796 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.685 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-O2' 111.23 -0.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.525 " O2'" ' OP1' ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.04 0.84 . 0.125 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.525 ' OP1' " O2'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 108.22 1.3 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ' U' . . . . . 0.665 ' O4 ' ' N6 ' ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C1'-C2' 108.909 1.792 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.577 " H4'" " O5'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C4'-C3'-C2' 104.179 1.479 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.577 " O5'" " H4'" ' A' ' 14' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 C3'-C2'-C1' 100.757 -0.825 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.544 ' C6 ' " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 100.365 -1.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . 0.503 H5'' " O2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 103.919 1.219 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.712 ' H62' ' N ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.824 1.017 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.503 " C5'" " O2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C4'-C3' 103.62 -1.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.629 ' H5 ' ' O ' ' B' ' 8' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 O4'-C4'-C3' 103.424 -1.483 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.583 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.92 1.086 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.538 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-C2' 107.702 0.93 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.777 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 108.436 1.454 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.777 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-C2' 107.908 1.077 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.75 ' H8 ' " O5'" ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-O2' 111.27 -0.7 . 0.018 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.698 ' H8 ' " O5'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-O2' 111.197 -0.725 . 0.107 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ' C' . . . . . 0.61 ' C4 ' ' N4 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 108.742 1.673 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.61 ' N4 ' ' C4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 108.178 1.27 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.538 ' HB3' ' C2 ' ' A' ' 15' ' ' ' A' . 0.0 OUTLIER -133.39 150.09 51.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.649 0.261 . . . . 0.0 111.527 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER 81.09 -145.11 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.965 178.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.514 ' HB2' ' CD1' ' B' ' 17' ' ' TYR . 12.9 ptpt -23.55 -44.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.696 0 CA-C-N 118.029 0.377 . . . . 0.0 111.801 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.535 ' C ' ' N6 ' ' A' ' 18' ' ' ' A' . 0.0 OUTLIER 10.66 76.38 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.925 ' HB3' HD13 ' B' ' 15' ' ' ILE . 0.6 OUTLIER -135.66 -54.64 0.78 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.308 178.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.986 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 87.17 -98.43 2.37 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.339 -0.934 . . . . 0.0 115.358 177.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.713 ' N ' HD12 ' B' ' 15' ' ' ILE . 26.0 p -106.23 155.42 19.5 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.628 ' NH1' ' C8 ' ' A' ' 6' ' ' ' G' . 0.3 OUTLIER -93.47 26.38 3.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.56 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 92.63 90.63 1.5 Allowed Glycine 0 C--N 1.342 0.902 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.694 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 19.9 tptt 102.89 38.47 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.87 33.11 86.36 Favored Glycine 0 N--CA 1.427 -1.92 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.59 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.569 ' NH1' ' H41' ' A' ' 23' ' ' ' C' . 24.9 mtt180 -83.16 1.35 40.96 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.834 -0.215 . . . . 0.0 111.508 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.671 ' HG3' ' CE1' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 45.37 164.85 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.03 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.986 HD12 ' C ' ' B' ' 7' ' ' GLY . 2.0 mt -130.69 -59.68 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.671 ' CE1' ' HG3' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 29.58 96.42 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.887 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.622 ' O ' " H5'" ' A' ' 7' ' ' ' U' . 6.4 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.051 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.451 ' C6 ' ' C6 ' ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 C1'-C2'-O2' 108.524 -0.692 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.514 " O2'" " C5'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 108.1 1.214 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.514 " C5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 108.373 1.41 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.553 ' O4 ' ' N6 ' ' A' ' 25' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-C2' 108.209 1.292 . 0.327 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.624 " C2'" " O5'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 C2'-C3'-O3' 114.646 1.302 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.624 " O5'" " C2'" ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 108.035 1.168 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.93 " H1'" " O5'" ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C3'-C2'-O2' 111.223 -0.716 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.93 " O5'" " H1'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 N19-C1'-C2' 114.578 0.737 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-O2' 111.259 -0.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.528 ' C8 ' ' N2 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 111.235 -0.712 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.499 " H1'" " O5'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 103.533 0.833 OUTLIER-EPSILON 0.539 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.499 " O5'" " H1'" ' A' ' 11' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.679 0.914 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ' U' . . . . . 0.479 " O5'" " C2'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 108.429 1.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.674 ' H6 ' ' O ' ' B' ' 1' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-O2' 111.14 -0.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.719 " O2'" ' N1 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 108.207 1.291 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.719 ' N1 ' " O2'" ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 107.789 0.992 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . 0.41 ' O2 ' " C2'" ' A' ' 17' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C3'-C2'-O2' 111.005 -0.792 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.602 ' C8 ' ' HA3' ' B' ' 7' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 103.798 1.098 . 0.034 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.502 ' N7 ' ' O ' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-C2' 108.308 1.363 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.665 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C4'-C3' 103.228 -1.623 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.665 ' C5 ' ' C4 ' ' A' ' 20' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-C2' 107.882 1.058 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.537 ' C5 ' ' C4 ' ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-O2' 111.192 -0.727 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.72 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 108.432 1.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.72 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.892 1.066 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.613 ' C5 ' ' N2 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-O2' 111.183 -0.73 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.765 ' H8 ' " O5'" ' A' ' 26' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C4'-C3'-C2' 103.667 0.967 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ' C' . . . . . 0.586 ' C4 ' ' N4 ' ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 108.627 1.591 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.586 ' N4 ' ' C4 ' ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C4'-C3' 103.559 -1.386 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.674 ' O ' ' H6 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.574 ' HG2' ' C2 ' ' A' ' 14' ' ' ' C' . 0.0 OUTLIER -90.45 174.44 7.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.746 0.273 . . . . 0.0 111.185 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.46 ' CB ' ' O ' ' B' ' 2' ' ' ARG . 0.0 OUTLIER 83.25 -175.31 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.909 178.65 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 22.8 pttt -35.7 -43.86 0.3 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' B' ' 1' ' ' GLY . 4.3 mmmt 41.82 -141.23 0.1 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.506 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.855 ' HB3' HD13 ' B' ' 15' ' ' ILE . 39.1 mtt85 67.13 -68.36 0.15 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.297 0.499 . . . . 0.0 110.213 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.857 ' C ' HD12 ' B' ' 15' ' ' ILE . . . 77.91 -73.78 2.08 Favored Glycine 0 CA--C 1.504 -0.614 0 C-N-CA 120.342 -0.933 . . . . 0.0 114.639 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.761 ' N ' HD12 ' B' ' 15' ' ' ILE . 82.3 p -116.64 153.58 32.04 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.537 ' NH1' ' N7 ' ' A' ' 6' ' ' ' G' . 0.6 OUTLIER -95.52 30.1 2.38 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.461 -0.495 . . . . 0.0 111.674 -179.306 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.588 ' O ' ' CB ' ' B' ' 11' ' ' LYS . . . 84.0 91.45 0.73 Allowed Glycine 0 C--N 1.341 0.831 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.511 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.588 ' CB ' ' O ' ' B' ' 10' ' ' GLY . 3.1 tptt 108.32 37.61 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 123.491 0.716 . . . . 0.0 109.285 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.29 27.93 71.47 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.805 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.535 ' CZ ' ' H41' ' A' ' 23' ' ' ' C' . 5.4 mtt180 -75.31 -10.89 59.86 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 116.981 0.39 . . . . 0.0 110.893 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.633 ' CA ' ' HA ' ' B' ' 8' ' ' THR . 0.0 OUTLIER 54.06 171.05 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 120.623 0.249 . . . . 0.0 111.415 179.052 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.857 HD12 ' C ' ' B' ' 7' ' ' GLY . 0.9 OUTLIER -130.05 -59.12 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.546 ' CE1' ' CB ' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 39.56 94.88 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.46 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.59 ' OXT' " H5'" ' A' ' 7' ' ' ' U' . 6.6 m-85 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.057 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . 0.739 " H1'" " O5'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.423 0.73 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' G' . . . . . 0.739 " O5'" " H1'" ' A' ' 1' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 108.325 1.375 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.616 " H5'" " O2'" ' A' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 O4'-C1'-C2' 108.401 1.429 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ' U' . . . . . 0.588 ' C4 ' ' C4 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.085 0 O4'-C1'-C2' 108.403 1.431 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.681 ' H41' ' HD3' ' B' ' 13' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C4'-C3' 103.561 -1.385 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.617 " O2'" H5'' ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 108.333 1.381 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.617 H5'' " O2'" ' A' ' 6' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C4'-C3'-O3' 114.188 1.38 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.496 ' H8 ' " O4'" ' A' ' 7' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.879 1.056 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-O2' 111.27 -0.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.423 ' N6 ' ' HD3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 C5'-C4'-O4' 108.191 -0.721 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ' G' . . . . . 0.613 ' O6 ' ' HG3' ' B' ' 6' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C5'-C4'-O4' 108.115 -0.775 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ' C' . . . . . 0.504 " C2'" " O5'" ' A' ' 13' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-C2' 107.888 1.063 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ' U' . . . . . 0.504 " O5'" " C2'" ' A' ' 12' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 108.451 1.465 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.584 ' C2 ' ' HG2' ' B' ' 2' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 O4'-C4'-C3' 104.238 -0.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ' A' . . . . . 0.657 ' N3 ' ' H6 ' ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.902 1.073 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ' U' . . . . . 0.657 ' H6 ' ' N3 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 107.779 0.985 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ' U' . . . . . 0.413 " O5'" " C2'" ' A' ' 16' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 C4'-C3'-C2' 103.648 0.948 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ' A' . . . . . 0.592 ' N6 ' ' HE2' ' B' ' 5' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C1'-C2' 107.894 1.067 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ' G' . . . . . 0.485 " C5'" " O2'" ' A' ' 18' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 108.4 1.429 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ' C' . . . . . 0.512 ' C4 ' ' C5 ' ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-C2' 107.872 1.051 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ' U' . . . . . 0.579 " H2'" " O4'" ' A' ' 22' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C5'-C4'-O4' 108.195 -0.718 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ' C' . . . . . 0.579 " O4'" " H2'" ' A' ' 21' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 103.841 -1.185 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ' C' . . . . . 0.789 " O2'" ' H8 ' ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 108.287 1.348 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ' G' . . . . . 0.789 ' H8 ' " O2'" ' A' ' 23' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C2'-C3'-O3' 114.426 1.224 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ' A' . . . . . 0.651 ' P ' " O2'" ' A' ' 24' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 C3'-C2'-O2' 111.163 -0.737 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ' G' . . . . . 0.445 " C2'" " O5'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.728 0.948 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ' C' . . . . . 0.651 " O2'" " H5'" ' A' ' 28' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 108.74 1.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ' C' . . . . . 0.651 " H5'" " O2'" ' A' ' 27' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 108.36 1.4 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.595 ' O ' ' C4 ' ' A' ' 15' ' ' ' A' . . . . . . . . 0 N--CA 1.488 2.113 0 N-CA-C 112.78 -0.128 . . . . 0.0 112.78 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.584 ' HG2' ' C2 ' ' A' ' 14' ' ' ' C' . 0.0 OUTLIER 60.47 160.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.389 -0.477 . . . . 0.0 110.727 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' B' ' 2' ' ' ARG . 1.2 ttm180 82.9 -174.35 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' B' ' 17' ' ' TYR . 5.3 pttt -35.0 -45.45 0.27 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.96 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.592 ' HE2' ' N6 ' ' A' ' 18' ' ' ' A' . 2.9 mmmt 36.39 -149.76 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.66 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.879 ' HG2' HD11 ' B' ' 15' ' ' ILE . 15.7 ttm105 75.07 -43.61 0.52 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.218 0.463 . . . . 0.0 110.437 -178.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.871 ' N ' HD12 ' B' ' 15' ' ' ILE . . . 62.35 -83.92 0.03 OUTLIER Glycine 0 C--N 1.337 0.609 0 N-CA-C 115.523 0.969 . . . . 0.0 115.523 178.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.541 ' HA ' ' HA ' ' B' ' 14' ' ' LYS . 71.6 p -103.19 170.52 7.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.544 ' HD2' ' C6 ' ' A' ' 6' ' ' ' G' . 0.2 OUTLIER -91.81 11.07 25.96 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.782 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.73 9.07 29.28 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 114.943 0.737 . . . . 0.0 114.943 177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.404 ' HB3' ' CZ ' ' B' ' 13' ' ' ARG . 1.6 tptt -163.88 43.49 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.631 0.716 . . . . 0.0 109.173 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.06 23.18 63.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.9 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.681 ' HD3' ' H41' ' A' ' 5' ' ' ' C' . 18.7 mtt85 -80.27 -10.65 59.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.607 0.242 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' NE2' ' B' ' 16' ' ' HIS . 0.0 OUTLIER 56.04 163.03 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.138 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.879 HD11 ' HG2' ' B' ' 6' ' ' ARG . 20.9 mt -108.61 -70.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.095 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.583 ' NE2' ' HB2' ' B' ' 14' ' ' LYS . 0.0 OUTLIER 52.3 94.44 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.237 -178.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' B' ' 4' ' ' LYS . 5.4 m-85 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.043 179.699 . . . . . . . . 1 1 . 1 stop_ save_