data_5j1o_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 5j1o _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -114.7 146.97 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 C-N-CA 127.109 2.163 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -130.28 159.13 37.83 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 127.053 2.141 . . . . 0.0 115.91 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -107.3 103.56 12.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 117.824 -3.048 . . . . 0.0 118.152 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -130.99 129.94 42.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.555 1.169 . . . . 0.0 108.195 -170.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.326 31.1 mttt 59.86 37.13 21.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.155 1.782 . . . . 0.0 113.565 -173.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.65 -10.99 0.94 Allowed Glycine 0 C--N 1.341 0.818 0 O-C-N 127.032 2.707 . . . . 0.0 115.447 -170.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -79.31 139.73 37.75 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -79.97 131.5 35.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 120.355 1.434 . . . . 0.0 109.905 164.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.4 pt -148.28 155.42 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 1 C-N-CA 132.269 4.227 . . . . 0.0 114.449 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -91.33 123.53 34.83 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 130.418 3.487 . . . . 0.0 102.43 -167.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm . . . . . 0 C--O 1.225 -0.229 0 N-CA-C 102.19 -3.263 . . . . 0.0 102.19 169.168 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.437 70.2 mtp180 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t -119.34 143.8 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 1 C-N-CA 131.831 4.052 . . . . 0.0 113.541 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -120.85 172.99 7.51 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 123.52 2.873 . . . . 0.0 109.288 165.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 m -129.49 133.84 47.48 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 125.827 2.727 . . . . 0.0 108.792 168.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -148.43 135.84 20.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 117.868 -3.02 . . . . 0.0 103.273 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt 47.69 43.57 16.76 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 -5.46 3.14 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-O 115.891 -2.616 . . . . 0.0 115.731 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -100.93 133.85 44.8 Favored 'General case' 0 N--CA 1.448 -0.534 1 C-N-CA 131.801 4.04 . . . . 0.0 107.829 -173.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -104.74 118.61 36.99 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -115.37 133.57 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.461 -165.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -104.14 135.14 46.19 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.666 2.386 . . . . 0.0 114.17 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 128.735 2.814 . . . . 0.0 106.547 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.67 141.67 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 126.096 2.122 . . . . 0.0 110.946 -165.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -145.55 153.59 41.26 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.966 -1.493 . . . . 0.0 110.498 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -96.52 99.63 11.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 124.949 1.405 . . . . 0.0 111.072 158.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -96.77 126.98 42.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.132 2.173 . . . . 0.0 109.685 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 39.85 43.27 1.18 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 128.369 2.668 . . . . 0.0 116.519 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.58 -5.76 76.59 Favored Glycine 0 C--N 1.347 1.158 1 N-CA-C 125.593 4.997 . . . . 0.0 125.593 -173.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -120.19 164.77 15.73 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.005 2.922 . . . . 0.0 105.266 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -83.08 146.87 28.45 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 119.959 -1.713 . . . . 0.0 113.387 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.6 154.15 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 O-C-N 125.133 1.521 . . . . 0.0 110.037 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -131.15 122.92 27.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.986 1.714 . . . . 0.0 110.069 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 N--CA 1.449 -0.486 0 C-N-CA 129.607 3.163 . . . . 0.0 112.6 -163.763 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.59 153.07 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 119.427 -2.046 . . . . 0.0 107.903 -175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -156.13 153.87 30.0 Favored 'General case' 0 CA--C 1.511 -0.548 1 C-N-CA 132.155 4.182 . . . . 0.0 110.112 -173.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 m -83.0 132.4 35.15 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 118.486 -2.634 . . . . 0.0 105.675 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -138.03 125.69 22.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 114.553 -2.642 . . . . 0.0 109.731 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.2 mttt 48.6 47.13 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 130.726 3.61 . . . . 0.0 111.584 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.7 1.89 84.99 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 115.437 -2.868 . . . . 0.0 111.74 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -129.94 147.06 51.65 Favored 'General case' 0 C--N 1.32 -0.677 1 CA-C-N 125.441 4.621 . . . . 0.0 113.566 176.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -67.18 134.09 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 125.693 2.663 . . . . 0.0 113.027 162.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.44 159.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.982 2.113 . . . . 0.0 115.365 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -113.79 130.37 56.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.072 0.949 . . . . 0.0 112.426 165.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.267 1.3 pp . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.677 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 119.844 -0.122 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 t -124.95 133.84 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 127.993 2.517 . . . . 0.0 108.978 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -128.29 164.2 23.11 Favored 'General case' 0 N--CA 1.453 -0.289 1 C-N-CA 131.892 4.077 . . . . 0.0 112.08 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.6 m -92.78 134.06 35.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.671 2.389 . . . . 0.0 111.728 165.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -153.61 107.51 3.02 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.655 0.74 . . . . 0.0 112.012 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 65.17 50.86 1.74 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.356 2.262 . . . . 0.0 115.02 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.99 -46.95 3.03 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 118.488 2.155 . . . . 0.0 118.488 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.275 37.6 ttp85 -69.49 138.24 53.23 Favored 'General case' 0 N--CA 1.45 -0.462 1 C-N-CA 132.025 4.13 . . . . 0.0 111.565 -179.649 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -81.29 125.39 30.29 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.293 1.437 . . . . 0.0 114.585 174.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 pt -123.08 137.45 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -107.34 113.18 26.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.984 2.114 . . . . 0.0 112.652 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.35 0 CA-C-O 116.934 -1.508 . . . . 0.0 111.227 170.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 m -119.43 145.48 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 127.301 2.24 . . . . 0.0 114.681 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -149.79 155.91 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.533 1.933 . . . . 0.0 115.61 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -96.25 127.56 42.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 122.331 1.062 . . . . 0.0 109.687 166.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -136.81 126.22 25.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 127.256 3.408 . . . . 0.0 112.144 -171.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 40.27 44.09 1.54 Allowed 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 116.719 -3.738 . . . . 0.0 115.951 -173.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.63 9.37 68.99 Favored Glycine 0 N--CA 1.445 -0.74 0 O-C-N 118.633 -2.542 . . . . 0.0 117.854 -176.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -148.12 154.19 39.85 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 130.797 3.639 . . . . 0.0 114.653 -166.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -92.83 131.01 38.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 128.626 2.77 . . . . 0.0 112.196 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 pt -128.74 153.73 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -111.69 138.79 47.79 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.342 1.857 . . . . 0.0 106.49 157.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.799 0 C-N-CA 129.978 3.311 . . . . 0.0 111.342 172.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 116.151 -1.88 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.88 156.38 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -152.48 136.24 16.21 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.741 2.816 . . . . 0.0 109.538 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m -68.77 117.04 9.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 117.862 -3.024 . . . . 0.0 110.045 161.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -120.35 131.03 54.67 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 130.709 3.604 . . . . 0.0 110.072 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt 48.8 18.96 0.22 Allowed 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 125.407 2.527 . . . . 0.0 116.994 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.78 -8.49 59.77 Favored Glycine 0 N--CA 1.446 -0.669 0 O-C-N 118.863 -2.398 . . . . 0.0 118.147 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -109.47 152.63 25.15 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 122.563 3.181 . . . . 0.0 115.977 165.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -69.66 130.89 43.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 123.098 2.681 . . . . 0.0 111.628 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.27 167.93 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 O-C-N 120.131 -1.605 . . . . 0.0 108.786 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.03 139.4 23.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 125.557 2.598 . . . . 0.0 108.434 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.3 1.3 pt . . . . . 0 CA--C 1.518 -0.281 0 CA-C-N 108.939 -3.755 . . . . 0.0 111.102 -165.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.05 140.93 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 C-N-CA 123.825 0.85 . . . . 0.0 111.252 -165.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.301 65.9 mtp180 -115.83 168.7 9.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 125.86 2.743 . . . . 0.0 110.471 171.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 m -105.42 137.46 43.2 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 116.853 -3.654 . . . . 0.0 105.819 151.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -148.28 130.21 15.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.906 2.082 . . . . 0.0 111.481 170.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 mttt 51.27 39.85 24.88 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -171.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.97 -2.14 88.47 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 127.939 2.685 . . . . 0.0 118.737 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -125.04 135.74 53.04 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 129.967 3.307 . . . . 0.0 111.177 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -78.03 127.7 32.73 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 116.632 -3.793 . . . . 0.0 106.099 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 pt -127.5 134.45 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 124.313 2.006 . . . . 0.0 110.751 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.72 133.23 33.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.117 -1.402 . . . . 0.0 113.139 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 pt . . . . . 0 N--CA 1.443 -0.819 0 C-N-CA 128.993 2.917 . . . . 0.0 104.517 -178.52 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 t -124.26 129.06 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 125.783 1.633 . . . . 0.0 111.768 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -124.65 163.51 21.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 116.827 -3.671 . . . . 0.0 107.286 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.61 108.39 19.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 129.466 3.106 . . . . 0.0 113.885 172.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -138.17 131.19 30.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 116.495 -3.878 . . . . 0.0 112.783 -171.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.5 mttt 52.84 43.26 31.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 117.731 -3.106 . . . . 0.0 113.144 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 19.66 72.77 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 128.988 3.185 . . . . 0.0 110.245 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -128.4 149.78 50.4 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 121.2 2.5 . . . . 0.0 110.299 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -68.75 129.42 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 127.286 2.235 . . . . 0.0 108.601 155.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pt -139.96 139.78 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 110.579 -3.009 . . . . 0.0 114.526 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -101.27 136.94 40.3 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.445 1.929 . . . . 0.0 111.875 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 C-N-CA 129.475 3.11 . . . . 0.0 110.388 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.443 -0.801 0 CA-C-O 123.316 1.531 . . . . 0.0 114.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 136.49 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 130.494 3.518 . . . . 0.0 108.347 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -141.76 149.66 40.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.772 2.429 . . . . 0.0 113.208 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.8 m -88.15 140.44 29.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 116.492 -1.718 . . . . 0.0 106.661 171.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -139.6 125.44 19.6 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 100.293 -3.965 . . . . 0.0 100.293 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt 40.41 47.29 2.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.429 3.492 . . . . 0.0 112.353 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.14 90.65 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 121.076 3.191 . . . . 0.0 121.076 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -121.96 158.87 28.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 126.645 1.978 . . . . 0.0 114.07 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -100.58 112.62 25.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 pt -103.96 136.64 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 127.424 2.29 . . . . 0.0 112.534 167.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -91.73 133.29 35.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.329 1.851 . . . . 0.0 110.897 165.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.463 1 C-N-CA 132.523 4.329 . . . . 0.0 104.692 -176.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.472 ' NH2' ' H62' ' B' ' 22' ' ' ' A' . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -114.7 146.97 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 C-N-CA 127.109 2.163 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -130.28 159.13 37.83 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 127.053 2.141 . . . . 0.0 115.91 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -107.3 103.56 12.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 117.824 -3.048 . . . . 0.0 118.152 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -130.99 129.94 42.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.555 1.169 . . . . 0.0 108.195 -170.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.326 31.1 mttt 59.86 37.13 21.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.155 1.782 . . . . 0.0 113.565 -173.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.65 -10.99 0.94 Allowed Glycine 0 C--N 1.341 0.818 0 O-C-N 127.032 2.707 . . . . 0.0 115.447 -170.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -79.31 139.73 37.75 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -79.97 131.5 35.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 120.355 1.434 . . . . 0.0 109.905 164.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.4 pt -148.28 155.42 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 1 C-N-CA 132.269 4.227 . . . . 0.0 114.449 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -91.33 123.53 34.83 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 130.418 3.487 . . . . 0.0 102.43 -167.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm -119.66 98.52 6.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 102.19 -3.263 . . . . 0.0 102.19 169.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo . . . . . 0 N--CA 1.456 -0.684 0 C-N-CA 125.198 3.932 . . . . 0.0 118.135 175.01 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.574 2 O4'-C1'-N19 115.229 7.029 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.568 2 C5'-C4'-C3' 107.459 -5.361 . 0.37 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.739 4 C4'-C3'-C2' 97.721 -4.979 . 0.309 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 1 C5'-C4'-O4' 117.144 5.675 . 0.368 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.486 5 O5'-C5'-C4' 122.784 8.989 . 0.685 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.472 ' H62' ' NH2' ' A' ' 1' ' ' ARG . . . . . . . . 0 O4'--C4' 1.412 -3.455 5 C1'-O4'-C4' 115.689 6.766 . 0.025 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 C3'-C2'-C1' 106.94 6.045 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 2 O4'-C1'-N19 114.54 6.34 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.4 3 O4'-C1'-N19 113.634 5.434 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 1 C5'-C4'-C3' 122.837 4.891 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 0.426 HO2' " C5'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.87 2 O4'-C1'-N19 114.805 6.605 . 0.526 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 0.426 " C5'" HO2' ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.362 2 O5'-C5'-C4' 117.803 5.431 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.421 HO2' " C5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.51 1 C5'-C4'-C3' 109.429 -4.048 . 0.723 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.421 " C5'" HO2' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.408 -3.709 2 C5'-C4'-O4' 116.594 5.282 . 0.215 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.59 1 O4'-C1'-N19 114.977 6.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.595 2 O4'-C1'-N19 117.293 9.093 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.578 2 O5'-C5'-C4' 118.021 5.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.58 2 O4'-C1'-N19 112.732 4.532 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.492 1 O5'-C5'-C4' 116.807 4.719 . 0.0 OUTLIER '7D dist 4p' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.934 2 O4'-C1'-N19 114.678 6.478 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.672 3 P-O3'-C3' 126.073 5.311 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 1 O4'-C1'-N19 115.336 7.136 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 2 C4'-C3'-C2' 96.864 -5.836 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.561 2 O5'-C5'-C4' 119.35 6.536 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 2 O5'-C5'-C4' 117.33 5.093 . 0.015 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 4 C4'-C3'-C2' 96.037 -6.663 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.345 5 O4'-C1'-N19 115.404 7.204 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.456 1 C5'-C4'-O4' 123.656 10.326 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.679 2 O4'-C1'-N19 115.897 7.697 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.437 70.2 mtp180 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t -119.34 143.8 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 1 C-N-CA 131.831 4.052 . . . . 0.0 113.541 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -120.85 172.99 7.51 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 123.52 2.873 . . . . 0.0 109.288 165.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 m -129.49 133.84 47.48 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 125.827 2.727 . . . . 0.0 108.792 168.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -148.43 135.84 20.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 117.868 -3.02 . . . . 0.0 103.273 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt 47.69 43.57 16.76 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 -5.46 3.14 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-O 115.891 -2.616 . . . . 0.0 115.731 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -100.93 133.85 44.8 Favored 'General case' 0 N--CA 1.448 -0.534 1 C-N-CA 131.801 4.04 . . . . 0.0 107.829 -173.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -104.74 118.61 36.99 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -115.37 133.57 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.461 -165.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -104.14 135.14 46.19 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.666 2.386 . . . . 0.0 114.17 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.85 100.08 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 128.735 2.814 . . . . 0.0 106.547 175.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo . . . . . 0 N--CA 1.448 -1.2 0 C-N-CA 123.99 3.126 . . . . 0.0 116.739 177.468 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.962 0 C3'-C2'-C1' 98.004 -3.885 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.466 HO2' " C5'" ' B' ' 19' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.403 -4.133 3 O4'-C1'-N19 116.329 8.129 . 0.123 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.466 " C5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.513 1 C4'-C3'-C2' 98.578 -4.122 . 0.277 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.43 3 O4'-C1'-N19 115.255 7.055 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.817 1 O4'-C1'-N19 117.191 8.991 . 0.42 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.708 1 C4'-C3'-C2' 96.861 -5.839 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 3 O4'-C1'-N19 118.171 9.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.526 2 C3'-C2'-C1' 107.377 6.53 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.471 ' C2 ' " H1'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.407 1 C5'-C4'-O4' 119.773 7.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 4 C1'-O4'-C4' 102.742 -7.62 . 0.463 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.956 3 C4'-C3'-C2' 97.83 -4.87 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 1 P-O5'-C5' 128.133 4.521 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C2'-C3'-O3' 119.951 3.197 . 0.102 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.529 0 P-O5'-C5' 115.3 -3.5 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 2 O4'-C1'-N19 114.384 6.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 1 O4'-C1'-N19 114.95 6.75 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.567 2 P-O3'-C3' 126.362 5.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.432 2 C1'-O4'-C4' 114.598 5.553 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 1 O4'-C1'-N19 112.958 4.758 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.473 2 C4'-C3'-C2' 97.528 -5.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.792 3 C5'-C4'-O4' 118.5 6.643 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 5 C5'-C4'-O4' 116.977 5.555 . 0.189 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.497 4 C4'-C3'-C2' 96.383 -6.317 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.453 4 C5'-C4'-O4' 116.832 5.451 . 0.03 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.471 " H1'" ' C2 ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 C5'-C4'-O4' 114.983 4.131 . 0.548 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.586 4 P-O3'-C3' 126.094 5.329 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.865 0 O4'-C1'-N19 112.143 3.943 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.87 6 C3'-C2'-C1' 94.116 -8.205 . 0.07 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.085 6 C5'-C4'-O4' 118.371 6.551 . 0.176 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.67 141.67 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 126.096 2.122 . . . . 0.0 110.946 -165.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -145.55 153.59 41.26 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.966 -1.493 . . . . 0.0 110.498 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -96.52 99.63 11.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 124.949 1.405 . . . . 0.0 111.072 158.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -96.77 126.98 42.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.132 2.173 . . . . 0.0 109.685 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 39.85 43.27 1.18 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 128.369 2.668 . . . . 0.0 116.519 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.58 -5.76 76.59 Favored Glycine 0 C--N 1.347 1.158 1 N-CA-C 125.593 4.997 . . . . 0.0 125.593 -173.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -120.19 164.77 15.73 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.005 2.922 . . . . 0.0 105.266 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -83.08 146.87 28.45 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 119.959 -1.713 . . . . 0.0 113.387 174.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.6 154.15 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 O-C-N 125.133 1.521 . . . . 0.0 110.037 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -131.15 122.92 27.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.986 1.714 . . . . 0.0 110.069 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt -125.64 73.76 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 129.607 3.163 . . . . 0.0 112.6 -163.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.456 -0.721 2 C-N-CA 126.728 4.952 . . . . 0.0 116.015 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.705 0 N19-C1'-C2' 108.871 -2.831 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.858 0 C3'-C2'-C1' 97.953 -3.941 . 0.017 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.775 1 O4'-C1'-N19 112.375 4.175 . 0.743 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.74 2 C4'-C3'-C2' 95.289 -7.411 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.549 3 C3'-C2'-C1' 108.656 7.951 . 0.205 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.731 2 C4'-C3'-C2' 96.372 -6.328 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.713 3 O4'-C1'-C2' 98.421 -5.699 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.543 1 O4'-C4'-C3' 98.84 -4.757 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 1 C5'-C4'-O4' 118.355 6.54 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.418 HO2' " C5'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.399 1 O5'-C5'-C4' 103.765 -4.597 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 0.418 " C5'" HO2' ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.083 1 C5'-C4'-C3' 106.697 -5.868 . 0.041 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -4.0 1 O4'-C1'-N19 115.609 7.409 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.325 5 C3'-C2'-C1' 112.361 12.068 . 0.648 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 4 O4'-C1'-N19 118.639 10.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.743 4 O4'-C1'-N19 117.773 9.573 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.833 1 O4'-C1'-N19 113.939 5.739 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.832 5 C5'-C4'-C3' 107.438 -5.375 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 1 C5'-C4'-O4' 119.012 7.009 . 0.219 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 P-O3'-C3' 123.372 3.06 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.013 0 N19-C1'-C2' 108.075 -3.328 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.06 0 O5'-C5'-C4' 114.785 3.275 . 0.313 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.788 2 O4'-C1'-N19 112.779 4.579 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.821 4 C4'-C3'-C2' 92.101 -10.599 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.906 2 O4'-C1'-N19 114.174 5.974 . 0.293 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.692 2 O4'-C1'-N19 115.0 6.8 . 0.492 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.499 3 C4'-C3'-C2' 97.502 -5.198 . 0.341 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.669 3 O5'-C5'-C4' 119.183 6.416 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 4 O4'-C1'-N19 121.355 13.155 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.682 0 C5'-C4'-O4' 114.084 3.488 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.59 153.07 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 119.427 -2.046 . . . . 0.0 107.903 -175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' CZ ' ' C5 ' ' B' ' 23' ' ' ' U' . 76.7 mtp180 -156.13 153.87 30.0 Favored 'General case' 0 CA--C 1.511 -0.548 1 C-N-CA 132.155 4.182 . . . . 0.0 110.112 -173.092 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 m -83.0 132.4 35.15 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 118.486 -2.634 . . . . 0.0 105.675 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -138.03 125.69 22.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 114.553 -2.642 . . . . 0.0 109.731 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.2 mttt 48.6 47.13 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 130.726 3.61 . . . . 0.0 111.584 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.7 1.89 84.99 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 115.437 -2.868 . . . . 0.0 111.74 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -129.94 147.06 51.65 Favored 'General case' 0 C--N 1.32 -0.677 1 CA-C-N 125.441 4.621 . . . . 0.0 113.566 176.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -67.18 134.09 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 125.693 2.663 . . . . 0.0 113.027 162.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.44 159.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.982 2.113 . . . . 0.0 115.365 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -113.79 130.37 56.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.072 0.949 . . . . 0.0 112.426 165.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.267 1.3 pp -123.13 109.4 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.677 174.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.45 -1.065 0 N-CA-C 120.676 3.299 . . . . 0.0 120.676 174.443 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.413 HO2' " C5'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.352 3 C1'-O4'-C4' 101.505 -8.995 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.413 " C5'" HO2' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.629 1 O4'-C1'-N19 114.785 6.585 . 0.262 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 1 C4'-C3'-C2' 98.034 -4.666 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 2 O5'-C5'-C4' 117.116 4.94 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.048 1 P-O3'-C3' 125.164 4.553 . 0.217 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.436 HO2' ' P ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.412 -3.383 4 O4'-C1'-N19 115.836 7.636 . 0.018 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.401 ' C5 ' ' CZ ' ' A' ' 3' ' ' ARG . . . . . . . . 1 O4'--C4' 1.403 -4.134 2 O4'-C1'-N19 116.236 8.036 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.475 3 N19-C1'-C2' 103.061 -6.462 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.436 ' P ' HO2' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.677 1 O4'-C1'-N19 113.855 5.655 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.63 3 C4'-C3'-C2' 95.665 -7.035 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 4 C4'-C3'-C2' 96.041 -6.659 . 0.066 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.768 3 O5'-C5'-C4' 123.352 9.394 . 0.442 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.596 3 C5'-C4'-O4' 117.644 6.032 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C2'-C3'-O3' 122.188 3.996 . 0.292 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 3 P-O3'-C3' 125.949 5.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.482 HO2' ' P ' ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.778 1 O4'-C1'-N19 115.052 6.852 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.482 ' P ' HO2' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.486 2 O4'-C1'-N19 116.451 8.251 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.854 2 O4'-C1'-N19 97.219 -10.981 . 0.049 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.061 4 O5'-C5'-C4' 117.859 5.471 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 P-O3'-C3' 123.832 3.443 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.541 3 C3'-C2'-C1' 105.415 4.351 . 0.16 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.502 HO2' " H5'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.41 -3.566 3 C1'-O4'-C4' 114.325 5.25 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.502 " H5'" HO2' ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.411 -3.493 1 C4'-C3'-C2' 95.952 -6.748 . 0.576 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.33 5 P-O3'-C3' 125.476 4.813 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.853 2 O4'-C1'-N19 114.481 6.281 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.535 0 C1'-O4'-C4' 113.074 3.86 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.812 2 O4'-C1'-N19 114.0 5.8 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.598 4 O4'-C1'-N19 115.229 7.029 . 0.283 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.605 0 C4'-C3'-C2' 98.704 -3.996 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 119.844 -0.122 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 t -124.95 133.84 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 127.993 2.517 . . . . 0.0 108.978 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -128.29 164.2 23.11 Favored 'General case' 0 N--CA 1.453 -0.289 1 C-N-CA 131.892 4.077 . . . . 0.0 112.08 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.6 m -92.78 134.06 35.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.671 2.389 . . . . 0.0 111.728 165.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -153.61 107.51 3.02 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.655 0.74 . . . . 0.0 112.012 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 65.17 50.86 1.74 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.356 2.262 . . . . 0.0 115.02 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.99 -46.95 3.03 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 118.488 2.155 . . . . 0.0 118.488 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.275 37.6 ttp85 -69.49 138.24 53.23 Favored 'General case' 0 N--CA 1.45 -0.462 1 C-N-CA 132.025 4.13 . . . . 0.0 111.565 -179.649 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -81.29 125.39 30.29 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.293 1.437 . . . . 0.0 114.585 174.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 pt -123.08 137.45 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -107.34 113.18 26.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.984 2.114 . . . . 0.0 112.652 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.18 104.28 16.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-O 116.934 -1.508 . . . . 0.0 111.227 170.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo . . . . . 0 N--CA 1.446 -1.288 1 N-CA-C 122.557 4.022 . . . . 0.0 122.557 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 2 C5'-C4'-O4' 116.16 4.971 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.696 4 C3'-C2'-C1' 97.062 -4.931 . 0.033 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 3 C4'-C3'-C2' 93.839 -8.861 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.704 2 C5'-C4'-O4' 118.845 6.889 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.412 2 P-O3'-C3' 127.655 6.63 . 0.303 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.981 2 N19-C1'-C2' 105.107 -5.183 . 0.31 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.475 2 O4'-C1'-N19 116.224 8.024 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 3 O4'-C1'-N19 112.439 4.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.414 ' C4 ' " H1'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.407 -3.819 3 C1'-O4'-C4' 118.918 10.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.674 3 C1'-O4'-C4' 103.704 -6.552 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.096 4 C5'-C4'-C3' 106.773 -5.818 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C1'-O4'-C4' 112.427 3.141 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 4 C5'-C4'-O4' 121.472 8.766 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.254 5 C4'-C3'-C2' 94.16 -8.54 . 0.179 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 3 O4'-C1'-N19 115.537 7.337 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.003 3 O4'-C1'-N19 114.991 6.791 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 2 O4'-C1'-N19 114.432 6.232 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 2 O4'-C1'-N19 103.609 -4.591 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C4'-C3'-C2' 99.142 -3.558 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.314 1 C4'-C3'-C2' 97.554 -5.146 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 1 C1'-O4'-C4' 113.268 4.076 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.365 2 O4'-C1'-N19 116.68 8.48 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O4'-C1'-N19 115.42 7.22 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.139 1 O4'-C1'-N19 114.065 5.865 . 0.457 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.414 " H1'" ' C4 ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.704 2 O5'-C5'-C4' 117.26 5.043 . 0.486 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 3 N19-C1'-C2' 103.906 -5.934 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.542 2 O4'-C1'-N19 116.976 8.776 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 3 C3'-C2'-C1' 108.655 7.95 . 0.327 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 4 C3'-C2'-C1' 108.279 7.533 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 m -119.43 145.48 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 127.301 2.24 . . . . 0.0 114.681 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -149.79 155.91 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.533 1.933 . . . . 0.0 115.61 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -96.25 127.56 42.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 122.331 1.062 . . . . 0.0 109.687 166.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -136.81 126.22 25.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 127.256 3.408 . . . . 0.0 112.144 -171.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 40.27 44.09 1.54 Allowed 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 116.719 -3.738 . . . . 0.0 115.951 -173.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.63 9.37 68.99 Favored Glycine 0 N--CA 1.445 -0.74 0 O-C-N 118.633 -2.542 . . . . 0.0 117.854 -176.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -148.12 154.19 39.85 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 130.797 3.639 . . . . 0.0 114.653 -166.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -92.83 131.01 38.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 128.626 2.77 . . . . 0.0 112.196 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 pt -128.74 153.73 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -111.69 138.79 47.79 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.342 1.857 . . . . 0.0 106.49 157.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER -126.84 91.82 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 C-N-CA 129.978 3.311 . . . . 0.0 111.342 172.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo . . . . . 0 N--CA 1.449 -1.116 0 C-N-CA 124.713 3.609 . . . . 0.0 112.748 -172.236 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 1 O5'-C5'-C4' 117.297 5.069 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 3 C5'-C4'-O4' 116.092 4.923 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.459 2 C5'-C4'-O4' 116.355 5.11 . 0.176 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.129 2 C3'-C2'-C1' 106.805 5.894 . 0.322 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.061 2 O5'-C5'-C4' 116.746 4.676 . 0.397 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 3 C5'-C4'-O4' 117.555 5.968 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 2 C1'-O4'-C4' 103.084 -7.24 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 2 O4'-C1'-N19 116.261 8.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.641 3 O4'-C1'-N19 116.825 8.625 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.643 3 C4'-C3'-C2' 97.152 -5.548 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.482 5 C4'-C3'-C2' 96.871 -5.829 . 0.071 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 4 C3'-C2'-C1' 95.792 -6.342 . 0.472 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.451 1 P-O3'-C3' 124.989 4.408 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.08 0 C3'-C2'-C1' 104.676 3.529 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.549 2 O4'-C1'-N19 114.693 6.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 2 O4'-C1'-N19 116.048 7.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.065 2 O4'-C1'-N19 114.106 5.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.808 2 OP1-P-OP2 111.318 -5.521 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 4 P-O3'-C3' 127.038 6.115 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.871 2 P-O5'-C5' 129.653 5.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 1 C5'-C4'-C3' 108.924 -4.384 . 0.031 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 3 O4'-C1'-N19 117.558 9.358 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.576 3 C5'-C4'-O4' 117.8 6.143 . 0.042 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 3 O4'-C1'-N19 115.57 7.37 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.813 5 C4'-C3'-C2' 91.584 -11.116 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.456 5 C3'-C2'-C1' 111.188 10.764 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.497 6 O5'-C5'-C4' 101.776 -6.017 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.432 HO2' " H5'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.371 4 O4'-C1'-N19 114.929 6.729 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.432 " H5'" HO2' ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.406 -3.931 1 C4'-C3'-C2' 107.831 5.131 . 0.592 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 116.151 -1.88 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.88 156.38 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -152.48 136.24 16.21 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.741 2.816 . . . . 0.0 109.538 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m -68.77 117.04 9.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 117.862 -3.024 . . . . 0.0 110.045 161.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -120.35 131.03 54.67 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 130.709 3.604 . . . . 0.0 110.072 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt 48.8 18.96 0.22 Allowed 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 125.407 2.527 . . . . 0.0 116.994 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.78 -8.49 59.77 Favored Glycine 0 N--CA 1.446 -0.669 0 O-C-N 118.863 -2.398 . . . . 0.0 118.147 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -109.47 152.63 25.15 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 122.563 3.181 . . . . 0.0 115.977 165.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -69.66 130.89 43.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 123.098 2.681 . . . . 0.0 111.628 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.27 167.93 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 O-C-N 120.131 -1.605 . . . . 0.0 108.786 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.03 139.4 23.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 125.557 2.598 . . . . 0.0 108.434 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.3 1.3 pt -133.88 81.01 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 108.939 -3.755 . . . . 0.0 111.102 -165.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo . . . . . 0 N--CA 1.448 -1.2 0 C-N-CA 124.607 3.538 . . . . 0.0 115.269 173.012 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.463 2 O5'-C5'-C4' 118.359 5.828 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 98.98 -3.72 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.614 2 C4'-C3'-C2' 95.813 -6.887 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 1 C5'-C4'-O4' 115.645 4.604 . 0.306 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.495 2 O4'-C1'-N19 115.513 7.313 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.479 3 O5'-C5'-C4' 118.171 5.694 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.765 3 C5'-C4'-O4' 118.931 6.951 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.207 2 O4'-C1'-N19 114.249 6.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.354 2 O5'-C5'-C4' 117.49 5.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 3 N19-C1'-C2' 104.885 -5.322 . 0.108 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 1 C5'-C4'-C3' 109.351 -4.099 . 0.162 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.499 1 C4'-C3'-C2' 97.14 -5.56 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.028 2 C3'-C2'-C1' 96.585 -5.461 . 0.818 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 2 C1'-O4'-C4' 113.793 4.659 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.702 0 N19-C1'-C2' 119.707 3.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.385 3 O5'-C5'-C4' 116.578 4.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 O4'-C1'-N19 113.867 5.667 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.411 0 O4'-C4'-C3' 110.333 3.452 . 0.059 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 O3'-P-O5' 110.824 3.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.474 1 O5'-C5'-C4' 118.812 6.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.505 2 O4'-C1'-N19 117.995 9.795 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.62 4 C5'-C4'-O4' 120.453 8.038 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.578 5 C5'-C4'-C3' 105.533 -6.644 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 3 C5'-C4'-O4' 117.271 5.765 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.678 1 O4'-C1'-N19 113.952 5.752 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.179 2 O4'-C1'-N19 114.698 6.498 . 0.634 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.616 3 C4'-C3'-C2' 98.187 -4.513 . 0.013 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 O4'-C1'-N19 111.788 3.588 . 0.725 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 1 O4'-C1'-N19 113.067 4.867 . 0.912 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.05 140.93 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 C-N-CA 123.825 0.85 . . . . 0.0 111.252 -165.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.301 65.9 mtp180 -115.83 168.7 9.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 125.86 2.743 . . . . 0.0 110.471 171.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 m -105.42 137.46 43.2 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 116.853 -3.654 . . . . 0.0 105.819 151.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -148.28 130.21 15.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.906 2.082 . . . . 0.0 111.481 170.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 mttt 51.27 39.85 24.88 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -171.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.97 -2.14 88.47 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 127.939 2.685 . . . . 0.0 118.737 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -125.04 135.74 53.04 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 129.967 3.307 . . . . 0.0 111.177 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -78.03 127.7 32.73 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 116.632 -3.793 . . . . 0.0 106.099 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 pt -127.5 134.45 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 124.313 2.006 . . . . 0.0 110.751 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.72 133.23 33.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.117 -1.402 . . . . 0.0 113.139 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 pt -133.27 75.57 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 128.993 2.917 . . . . 0.0 104.517 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 N--CA 1.446 -1.318 1 C-N-CA 127.367 5.378 . . . . 0.0 117.508 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 1 C5'-C4'-O4' 116.537 5.241 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.484 1 C5'-C4'-O4' 119.143 7.102 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.772 4 C3'-C2'-C1' 110.361 9.846 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.408 1 C3'-C2'-C1' 96.435 -5.627 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.418 " H2'" ' C8 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.574 2 O4'-C1'-N19 112.289 4.089 . 0.654 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.418 ' C8 ' " H2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.909 1 C4'-C3'-C2' 94.803 -7.897 . 0.672 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.59 1 O4'-C1'-N19 113.933 5.733 OUTLIER-DELTA 0.073 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.458 HO2' ' P ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.669 3 C3'-C2'-C1' 107.104 6.227 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.458 ' P ' HO2' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.996 2 O3'-P-O5' 94.289 -5.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.586 0 O4'-C1'-N19 111.651 3.451 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 3 C1'-O4'-C4' 114.026 4.918 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.637 2 C4'-C3'-C2' 94.53 -8.17 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.706 1 C4'-C3'-C2' 98.092 -4.608 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 2 P-O3'-C3' 125.652 4.96 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.109 1 O4'-C1'-N19 113.444 5.244 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.488 ' C8 ' ' C4 ' ' B' ' 33' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.129 5 C4'-C3'-C2' 97.46 -5.24 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.488 ' C4 ' ' C8 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.779 0 O4'-C1'-C2' 101.18 -3.729 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . 0.438 ' C5 ' " H4'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.411 2 C1'-O4'-C4' 115.615 6.683 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.067 0 C4'-C3'-C2' 99.063 -3.637 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.644 2 C4'-C3'-C2' 95.992 -6.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.752 1 P-O5'-C5' 128.589 4.806 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.51 3 O4'-C1'-N19 117.675 9.475 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.616 5 C4'-C3'-C2' 92.223 -10.477 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 3 O4'-C1'-N19 115.212 7.012 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.345 2 O5'-C5'-C4' 121.076 7.768 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.564 3 C4'-C3'-C2' 94.965 -7.735 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.615 2 C1'-O4'-C4' 104.54 -5.622 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.58 HO2' " H5'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.407 -3.823 3 C3'-C2'-C1' 95.759 -6.379 . 0.7 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.58 " H5'" HO2' ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.537 6 C3'-C2'-C1' 109.763 9.181 . 0.762 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 t -124.26 129.06 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 125.783 1.633 . . . . 0.0 111.768 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' CZ ' ' C5 ' ' B' ' 23' ' ' ' U' . 45.7 mtp180 -124.65 163.51 21.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 116.827 -3.671 . . . . 0.0 107.286 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.61 108.39 19.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 129.466 3.106 . . . . 0.0 113.885 172.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -138.17 131.19 30.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 116.495 -3.878 . . . . 0.0 112.783 -171.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.5 mttt 52.84 43.26 31.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 117.731 -3.106 . . . . 0.0 113.144 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 19.66 72.77 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 128.988 3.185 . . . . 0.0 110.245 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -128.4 149.78 50.4 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 121.2 2.5 . . . . 0.0 110.299 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -68.75 129.42 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 127.286 2.235 . . . . 0.0 108.601 155.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pt -139.96 139.78 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 110.579 -3.009 . . . . 0.0 114.526 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -101.27 136.94 40.3 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.445 1.929 . . . . 0.0 111.875 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.76 92.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 129.475 3.11 . . . . 0.0 110.388 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.442 -1.526 0 C-N-CA 124.176 3.25 . . . . 0.0 117.7 -172.062 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 1 O4'-C1'-N19 113.1 4.9 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 3 O4'-C1'-N19 115.002 6.802 . 0.025 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.63 2 O4'-C1'-N19 113.539 5.339 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 2 O4'-C1'-N19 115.49 7.29 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.359 2 O4'-C1'-N19 116.74 8.54 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 2 C5'-C4'-O4' 116.976 5.554 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.517 ' C5 ' ' CZ ' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.409 -3.698 3 O4'-C1'-N19 116.664 8.464 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 3 C5'-C4'-O4' 124.899 11.213 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.279 2 O4'-C1'-N19 116.792 8.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 2 C1'-O4'-C4' 104.495 -5.672 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 3 C5'-C4'-O4' 120.333 7.952 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.415 1 C4'-C3'-C2' 97.141 -5.559 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.417 ' C4 ' ' C5 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.328 2 C1'-O4'-C4' 114.829 5.81 . 0.498 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.444 " H4'" ' C5 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.694 2 C1'-O4'-C4' 105.122 -4.976 . 0.258 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.444 ' C5 ' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.388 3 O5'-C5'-C4' 120.279 7.199 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.642 2 O4'-C1'-N19 117.835 9.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.622 1 O4'-C1'-N19 114.464 6.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 4 P-O3'-C3' 126.44 5.616 . 0.248 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.435 HO2' ' P ' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.644 0 O4'-C1'-N19 111.741 3.541 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.435 ' P ' HO2' ' B' ' 35' ' ' ' A' . . . . . . . . 1 O4'--C4' 1.403 -4.142 2 C5'-C4'-O4' 121.783 8.988 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 1 O5'-C5'-C4' 101.378 -6.302 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 2 C4'-C3'-C2' 94.753 -7.947 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.337 3 O4'-C1'-N19 113.421 5.221 . 0.284 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.865 2 C3'-C2'-C1' 96.411 -5.655 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.142 4 C4'-C3'-C2' 97.239 -5.461 . 0.074 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.634 1 C4'-C3'-C2' 97.819 -4.881 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.563 4 O4'-C1'-N19 115.384 7.184 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.445 4 O4'-C1'-N19 116.04 7.84 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.445 3 O5'-C5'-C4' 118.612 6.009 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.443 -0.801 0 CA-C-O 123.316 1.531 . . . . 0.0 114.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 136.49 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 130.494 3.518 . . . . 0.0 108.347 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -141.76 149.66 40.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.772 2.429 . . . . 0.0 113.208 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.44 ' O ' " H2'" ' B' ' 23' ' ' ' U' . 7.8 m -88.15 140.44 29.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 116.492 -1.718 . . . . 0.0 106.661 171.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -139.6 125.44 19.6 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 100.293 -3.965 . . . . 0.0 100.293 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt 40.41 47.29 2.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.429 3.492 . . . . 0.0 112.353 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.14 90.65 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 121.076 3.191 . . . . 0.0 121.076 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -121.96 158.87 28.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 126.645 1.978 . . . . 0.0 114.07 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -100.58 112.62 25.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 pt -103.96 136.64 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 127.424 2.29 . . . . 0.0 112.534 167.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' HD3' ' C8 ' ' B' ' 35' ' ' ' A' . 63.0 ttt180 -91.73 133.29 35.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.329 1.851 . . . . 0.0 110.897 165.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.02 79.64 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 1 C-N-CA 132.523 4.329 . . . . 0.0 104.692 -176.054 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 N--CA 1.45 -1.082 0 CA-C-N 123.104 2.144 . . . . 0.0 115.669 -173.419 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.875 4 O5'-C5'-C4' 117.444 5.174 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.767 1 N19-C1'-C2' 104.562 -5.524 . 0.941 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.854 3 C5'-C4'-C3' 107.605 -5.264 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 4 P-O3'-C3' 111.527 -6.811 . 0.212 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 3 O4'-C1'-C2' 112.168 4.12 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.86 2 C4'-C3'-C2' 97.258 -5.442 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . 0.44 " H2'" ' O ' ' A' ' 4' ' ' THR . . . . . . . . 0 O4'--C4' 1.414 -3.219 1 C5'-C4'-O4' 116.548 5.249 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.697 2 C5'-C4'-O4' 118.309 6.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.94 3 C5'-C4'-C3' 105.166 -6.889 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.963 3 C3'-C2'-C1' 107.413 6.57 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 1 O4'-C1'-N19 113.123 4.923 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 0.44 " H2'" " O4'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.409 -3.631 2 O3'-P-O5' 113.488 4.994 . 0.42 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.44 " O4'" " H2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.597 4 O4'-C1'-N19 115.437 7.237 . 0.379 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.955 3 O4'-C1'-N19 117.925 9.725 . 0.141 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.799 3 O5'-C5'-C4' 118.883 6.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.521 4 C1'-O4'-C4' 104.422 -5.754 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.965 6 C4'-C3'-C2' 94.161 -8.539 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 3 O5'-C5'-C4' 120.087 7.062 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . 0.452 ' C8 ' ' HD3' ' A' ' 11' ' ' ARG . . . . . . . . 0 O4'--C4' 1.408 -3.738 0 C1'-O4'-C4' 112.721 3.468 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 4 C4'-C3'-C2' 95.517 -7.183 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.522 5 C1'-O4'-C4' 116.147 7.275 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.519 2 N19-C1'-C2' 105.498 -4.939 . 0.398 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.846 4 C5'-C4'-O4' 116.778 5.413 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.62 4 O4'-C1'-N19 119.434 11.234 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.608 3 O4'-C1'-N19 114.978 6.778 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.513 3 N19-C1'-C2' 102.217 -6.989 . 0.075 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.767 0 OP1-P-OP2 114.489 -3.407 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.193 2 O4'-C1'-N19 119.326 11.126 . 0.415 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.886 4 O4'-C1'-N19 113.873 5.673 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -114.7 146.97 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 C-N-CA 127.109 2.163 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -130.28 159.13 37.83 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 127.053 2.141 . . . . 0.0 115.91 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -107.3 103.56 12.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 117.824 -3.048 . . . . 0.0 118.152 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -130.99 129.94 42.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.555 1.169 . . . . 0.0 108.195 -170.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.326 31.1 mttt 59.86 37.13 21.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.155 1.782 . . . . 0.0 113.565 -173.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.65 -10.99 0.94 Allowed Glycine 0 C--N 1.341 0.818 0 O-C-N 127.032 2.707 . . . . 0.0 115.447 -170.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -79.31 139.73 37.75 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -79.97 131.5 35.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 120.355 1.434 . . . . 0.0 109.905 164.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.4 pt -148.28 155.42 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 1 C-N-CA 132.269 4.227 . . . . 0.0 114.449 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -91.33 123.53 34.83 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 130.418 3.487 . . . . 0.0 102.43 -167.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm . . . . . 0 C--O 1.225 -0.229 0 N-CA-C 102.19 -3.263 . . . . 0.0 102.19 169.168 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.437 70.2 mtp180 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t -119.34 143.8 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 1 C-N-CA 131.831 4.052 . . . . 0.0 113.541 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -120.85 172.99 7.51 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 123.52 2.873 . . . . 0.0 109.288 165.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 m -129.49 133.84 47.48 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 125.827 2.727 . . . . 0.0 108.792 168.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -148.43 135.84 20.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 117.868 -3.02 . . . . 0.0 103.273 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt 47.69 43.57 16.76 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 -5.46 3.14 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-O 115.891 -2.616 . . . . 0.0 115.731 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -100.93 133.85 44.8 Favored 'General case' 0 N--CA 1.448 -0.534 1 C-N-CA 131.801 4.04 . . . . 0.0 107.829 -173.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -104.74 118.61 36.99 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -115.37 133.57 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.461 -165.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -104.14 135.14 46.19 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.666 2.386 . . . . 0.0 114.17 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 128.735 2.814 . . . . 0.0 106.547 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.67 141.67 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 126.096 2.122 . . . . 0.0 110.946 -165.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -145.55 153.59 41.26 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.966 -1.493 . . . . 0.0 110.498 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -96.52 99.63 11.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 124.949 1.405 . . . . 0.0 111.072 158.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -96.77 126.98 42.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.132 2.173 . . . . 0.0 109.685 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 39.85 43.27 1.18 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 128.369 2.668 . . . . 0.0 116.519 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.58 -5.76 76.59 Favored Glycine 0 C--N 1.347 1.158 1 N-CA-C 125.593 4.997 . . . . 0.0 125.593 -173.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -120.19 164.77 15.73 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.005 2.922 . . . . 0.0 105.266 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 28.5 mmm180 -83.08 146.87 28.45 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 119.959 -1.713 . . . . 0.0 113.387 174.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.6 154.15 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 O-C-N 125.133 1.521 . . . . 0.0 110.037 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -131.15 122.92 27.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.986 1.714 . . . . 0.0 110.069 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 N--CA 1.449 -0.486 0 C-N-CA 129.607 3.163 . . . . 0.0 112.6 -163.763 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.59 153.07 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 119.427 -2.046 . . . . 0.0 107.903 -175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -156.13 153.87 30.0 Favored 'General case' 0 CA--C 1.511 -0.548 1 C-N-CA 132.155 4.182 . . . . 0.0 110.112 -173.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 m -83.0 132.4 35.15 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 118.486 -2.634 . . . . 0.0 105.675 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -138.03 125.69 22.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 114.553 -2.642 . . . . 0.0 109.731 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.2 mttt 48.6 47.13 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 130.726 3.61 . . . . 0.0 111.584 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.7 1.89 84.99 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 115.437 -2.868 . . . . 0.0 111.74 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -129.94 147.06 51.65 Favored 'General case' 0 C--N 1.32 -0.677 1 CA-C-N 125.441 4.621 . . . . 0.0 113.566 176.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -67.18 134.09 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 125.693 2.663 . . . . 0.0 113.027 162.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.44 159.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.982 2.113 . . . . 0.0 115.365 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -113.79 130.37 56.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.072 0.949 . . . . 0.0 112.426 165.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.267 1.3 pp . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.677 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 119.844 -0.122 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 t -124.95 133.84 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 127.993 2.517 . . . . 0.0 108.978 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -128.29 164.2 23.11 Favored 'General case' 0 N--CA 1.453 -0.289 1 C-N-CA 131.892 4.077 . . . . 0.0 112.08 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.6 m -92.78 134.06 35.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.671 2.389 . . . . 0.0 111.728 165.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -153.61 107.51 3.02 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.655 0.74 . . . . 0.0 112.012 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 65.17 50.86 1.74 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.356 2.262 . . . . 0.0 115.02 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.99 -46.95 3.03 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 118.488 2.155 . . . . 0.0 118.488 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.275 37.6 ttp85 -69.49 138.24 53.23 Favored 'General case' 0 N--CA 1.45 -0.462 1 C-N-CA 132.025 4.13 . . . . 0.0 111.565 -179.649 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 20.1 mmm180 -81.29 125.39 30.29 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.293 1.437 . . . . 0.0 114.585 174.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 pt -123.08 137.45 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -107.34 113.18 26.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.984 2.114 . . . . 0.0 112.652 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.563 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.35 0 CA-C-O 116.934 -1.508 . . . . 0.0 111.227 170.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 m -119.43 145.48 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 127.301 2.24 . . . . 0.0 114.681 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -149.79 155.91 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.533 1.933 . . . . 0.0 115.61 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -96.25 127.56 42.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 122.331 1.062 . . . . 0.0 109.687 166.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -136.81 126.22 25.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 127.256 3.408 . . . . 0.0 112.144 -171.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 40.27 44.09 1.54 Allowed 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 116.719 -3.738 . . . . 0.0 115.951 -173.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.63 9.37 68.99 Favored Glycine 0 N--CA 1.445 -0.74 0 O-C-N 118.633 -2.542 . . . . 0.0 117.854 -176.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -148.12 154.19 39.85 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 130.797 3.639 . . . . 0.0 114.653 -166.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -92.83 131.01 38.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 128.626 2.77 . . . . 0.0 112.196 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 pt -128.74 153.73 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -111.69 138.79 47.79 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.342 1.857 . . . . 0.0 106.49 157.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.799 0 C-N-CA 129.978 3.311 . . . . 0.0 111.342 172.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 116.151 -1.88 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.88 156.38 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -152.48 136.24 16.21 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.741 2.816 . . . . 0.0 109.538 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m -68.77 117.04 9.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 117.862 -3.024 . . . . 0.0 110.045 161.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -120.35 131.03 54.67 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 130.709 3.604 . . . . 0.0 110.072 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt 48.8 18.96 0.22 Allowed 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 125.407 2.527 . . . . 0.0 116.994 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.78 -8.49 59.77 Favored Glycine 0 N--CA 1.446 -0.669 0 O-C-N 118.863 -2.398 . . . . 0.0 118.147 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -109.47 152.63 25.15 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 122.563 3.181 . . . . 0.0 115.977 165.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -69.66 130.89 43.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 123.098 2.681 . . . . 0.0 111.628 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.27 167.93 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 O-C-N 120.131 -1.605 . . . . 0.0 108.786 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.03 139.4 23.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 125.557 2.598 . . . . 0.0 108.434 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.3 1.3 pt . . . . . 0 CA--C 1.518 -0.281 0 CA-C-N 108.939 -3.755 . . . . 0.0 111.102 -165.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.05 140.93 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 C-N-CA 123.825 0.85 . . . . 0.0 111.252 -165.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.301 65.9 mtp180 -115.83 168.7 9.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 125.86 2.743 . . . . 0.0 110.471 171.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 m -105.42 137.46 43.2 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 116.853 -3.654 . . . . 0.0 105.819 151.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -148.28 130.21 15.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.906 2.082 . . . . 0.0 111.481 170.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 mttt 51.27 39.85 24.88 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -171.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.97 -2.14 88.47 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 127.939 2.685 . . . . 0.0 118.737 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -125.04 135.74 53.04 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 129.967 3.307 . . . . 0.0 111.177 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -78.03 127.7 32.73 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 116.632 -3.793 . . . . 0.0 106.099 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.428 HD13 HG21 ' A' ' 10' ' ' ILE . 3.6 pt -127.5 134.45 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 124.313 2.006 . . . . 0.0 110.751 175.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.72 133.23 33.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.117 -1.402 . . . . 0.0 113.139 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 pt . . . . . 0 N--CA 1.443 -0.819 0 C-N-CA 128.993 2.917 . . . . 0.0 104.517 -178.52 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 t -124.26 129.06 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 125.783 1.633 . . . . 0.0 111.768 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -124.65 163.51 21.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 116.827 -3.671 . . . . 0.0 107.286 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.61 108.39 19.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 129.466 3.106 . . . . 0.0 113.885 172.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -138.17 131.19 30.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 116.495 -3.878 . . . . 0.0 112.783 -171.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.5 mttt 52.84 43.26 31.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 117.731 -3.106 . . . . 0.0 113.144 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 19.66 72.77 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 128.988 3.185 . . . . 0.0 110.245 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -128.4 149.78 50.4 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 121.2 2.5 . . . . 0.0 110.299 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -68.75 129.42 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 127.286 2.235 . . . . 0.0 108.601 155.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pt -139.96 139.78 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 110.579 -3.009 . . . . 0.0 114.526 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -101.27 136.94 40.3 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.445 1.929 . . . . 0.0 111.875 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 C-N-CA 129.475 3.11 . . . . 0.0 110.388 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.443 -0.801 0 CA-C-O 123.316 1.531 . . . . 0.0 114.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 136.49 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 130.494 3.518 . . . . 0.0 108.347 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -141.76 149.66 40.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.772 2.429 . . . . 0.0 113.208 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.8 m -88.15 140.44 29.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 116.492 -1.718 . . . . 0.0 106.661 171.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -139.6 125.44 19.6 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 100.293 -3.965 . . . . 0.0 100.293 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt 40.41 47.29 2.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.429 3.492 . . . . 0.0 112.353 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.14 90.65 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 121.076 3.191 . . . . 0.0 121.076 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -121.96 158.87 28.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 126.645 1.978 . . . . 0.0 114.07 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -100.58 112.62 25.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 pt -103.96 136.64 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 127.424 2.29 . . . . 0.0 112.534 167.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -91.73 133.29 35.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.329 1.851 . . . . 0.0 110.897 165.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.463 1 C-N-CA 132.523 4.329 . . . . 0.0 104.692 -176.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.735 HH22 ' H62' ' B' ' 22' ' ' ' A' . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -114.7 146.97 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 C-N-CA 127.109 2.163 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -130.28 159.13 37.83 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 127.053 2.141 . . . . 0.0 115.91 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -107.3 103.56 12.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 117.824 -3.048 . . . . 0.0 118.152 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -130.99 129.94 42.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.555 1.169 . . . . 0.0 108.195 -170.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.326 31.1 mttt 59.86 37.13 21.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.155 1.782 . . . . 0.0 113.565 -173.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.65 -10.99 0.94 Allowed Glycine 0 C--N 1.341 0.818 0 O-C-N 127.032 2.707 . . . . 0.0 115.447 -170.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -79.31 139.73 37.75 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -79.97 131.5 35.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 120.355 1.434 . . . . 0.0 109.905 164.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.4 pt -148.28 155.42 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 1 C-N-CA 132.269 4.227 . . . . 0.0 114.449 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -91.33 123.53 34.83 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 130.418 3.487 . . . . 0.0 102.43 -167.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm -119.66 98.52 6.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 102.19 -3.263 . . . . 0.0 102.19 169.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo . . . . . 0 N--CA 1.456 -0.684 0 C-N-CA 125.198 3.932 . . . . 0.0 118.135 175.01 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.574 2 O4'-C1'-N19 115.229 7.029 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.568 2 C5'-C4'-C3' 107.459 -5.361 . 0.37 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.739 4 C4'-C3'-C2' 97.721 -4.979 . 0.309 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 1 C5'-C4'-O4' 117.144 5.675 . 0.368 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.486 5 O5'-C5'-C4' 122.784 8.989 . 0.685 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.735 ' H62' HH22 ' A' ' 1' ' ' ARG . . . . . . . . 0 O4'--C4' 1.412 -3.455 5 C1'-O4'-C4' 115.689 6.766 . 0.025 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 C3'-C2'-C1' 106.94 6.045 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 2 O4'-C1'-N19 114.54 6.34 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.4 3 O4'-C1'-N19 113.634 5.434 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 1 C5'-C4'-C3' 122.837 4.891 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.87 2 O4'-C1'-N19 114.805 6.605 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 2 O5'-C5'-C4' 117.803 5.431 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.51 1 C5'-C4'-C3' 109.429 -4.048 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.709 2 C5'-C4'-O4' 116.594 5.282 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.59 1 O4'-C1'-N19 114.977 6.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.595 2 O4'-C1'-N19 117.293 9.093 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.578 2 O5'-C5'-C4' 118.021 5.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.58 2 O4'-C1'-N19 112.732 4.532 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.492 1 O5'-C5'-C4' 116.807 4.719 . 0.0 OUTLIER '7D dist 4p' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.934 2 O4'-C1'-N19 114.678 6.478 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.672 3 P-O3'-C3' 126.073 5.311 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 1 O4'-C1'-N19 115.336 7.136 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 2 C4'-C3'-C2' 96.864 -5.836 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.561 2 O5'-C5'-C4' 119.35 6.536 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 2 O5'-C5'-C4' 117.33 5.093 . 0.015 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 4 C4'-C3'-C2' 96.037 -6.663 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.345 5 O4'-C1'-N19 115.404 7.204 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.456 1 C5'-C4'-O4' 123.656 10.326 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.679 2 O4'-C1'-N19 115.897 7.697 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.437 70.2 mtp180 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t -119.34 143.8 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 1 C-N-CA 131.831 4.052 . . . . 0.0 113.541 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -120.85 172.99 7.51 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 123.52 2.873 . . . . 0.0 109.288 165.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 m -129.49 133.84 47.48 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 125.827 2.727 . . . . 0.0 108.792 168.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -148.43 135.84 20.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 117.868 -3.02 . . . . 0.0 103.273 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt 47.69 43.57 16.76 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 -5.46 3.14 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-O 115.891 -2.616 . . . . 0.0 115.731 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -100.93 133.85 44.8 Favored 'General case' 0 N--CA 1.448 -0.534 1 C-N-CA 131.801 4.04 . . . . 0.0 107.829 -173.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -104.74 118.61 36.99 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -115.37 133.57 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.461 -165.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -104.14 135.14 46.19 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.666 2.386 . . . . 0.0 114.17 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.85 100.08 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 128.735 2.814 . . . . 0.0 106.547 175.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo . . . . . 0 N--CA 1.448 -1.2 0 C-N-CA 123.99 3.126 . . . . 0.0 116.739 177.468 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.962 0 C3'-C2'-C1' 98.004 -3.885 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.133 3 O4'-C1'-N19 116.329 8.129 . 0.123 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.513 1 C4'-C3'-C2' 98.578 -4.122 . 0.277 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.43 3 O4'-C1'-N19 115.255 7.055 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.817 1 O4'-C1'-N19 117.191 8.991 . 0.42 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.708 1 C4'-C3'-C2' 96.861 -5.839 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 3 O4'-C1'-N19 118.171 9.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.526 2 C3'-C2'-C1' 107.377 6.53 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 1 C5'-C4'-O4' 119.773 7.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 4 C1'-O4'-C4' 102.742 -7.62 . 0.463 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.956 3 C4'-C3'-C2' 97.83 -4.87 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 1 P-O5'-C5' 128.133 4.521 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C2'-C3'-O3' 119.951 3.197 . 0.102 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.529 0 P-O5'-C5' 115.3 -3.5 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 2 O4'-C1'-N19 114.384 6.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 1 O4'-C1'-N19 114.95 6.75 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.439 " H4'" " O5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.567 2 P-O3'-C3' 126.362 5.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . 0.439 " O5'" " H4'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.432 2 C1'-O4'-C4' 114.598 5.553 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 1 O4'-C1'-N19 112.958 4.758 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.473 2 C4'-C3'-C2' 97.528 -5.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.792 3 C5'-C4'-O4' 118.5 6.643 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 5 C5'-C4'-O4' 116.977 5.555 . 0.189 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . 0.403 " H2'" " O4'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.411 -3.497 4 C4'-C3'-C2' 96.383 -6.317 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . 0.403 " O4'" " H2'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.453 4 C5'-C4'-O4' 116.832 5.451 . 0.03 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 C5'-C4'-O4' 114.983 4.131 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.586 4 P-O3'-C3' 126.094 5.329 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.865 0 O4'-C1'-N19 112.143 3.943 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.87 6 C3'-C2'-C1' 94.116 -8.205 . 0.07 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.085 6 C5'-C4'-O4' 118.371 6.551 . 0.176 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.67 141.67 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 126.096 2.122 . . . . 0.0 110.946 -165.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -145.55 153.59 41.26 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.966 -1.493 . . . . 0.0 110.498 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -96.52 99.63 11.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 124.949 1.405 . . . . 0.0 111.072 158.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -96.77 126.98 42.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.132 2.173 . . . . 0.0 109.685 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 39.85 43.27 1.18 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 128.369 2.668 . . . . 0.0 116.519 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.58 -5.76 76.59 Favored Glycine 0 C--N 1.347 1.158 1 N-CA-C 125.593 4.997 . . . . 0.0 125.593 -173.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -120.19 164.77 15.73 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.005 2.922 . . . . 0.0 105.266 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 28.5 mmm180 -83.08 146.87 28.45 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 119.959 -1.713 . . . . 0.0 113.387 174.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.6 154.15 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 O-C-N 125.133 1.521 . . . . 0.0 110.037 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -131.15 122.92 27.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.986 1.714 . . . . 0.0 110.069 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt -125.64 73.76 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 129.607 3.163 . . . . 0.0 112.6 -163.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.456 -0.721 2 C-N-CA 126.728 4.952 . . . . 0.0 116.015 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.705 0 N19-C1'-C2' 108.871 -2.831 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.858 0 C3'-C2'-C1' 97.953 -3.941 . 0.017 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.775 1 O4'-C1'-N19 112.375 4.175 . 0.743 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.74 2 C4'-C3'-C2' 95.289 -7.411 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.549 3 C3'-C2'-C1' 108.656 7.951 . 0.205 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.731 2 C4'-C3'-C2' 96.372 -6.328 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.713 3 O4'-C1'-C2' 98.421 -5.699 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.543 1 O4'-C4'-C3' 98.84 -4.757 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 1 C5'-C4'-O4' 118.355 6.54 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 1 O5'-C5'-C4' 103.765 -4.597 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 1 C5'-C4'-C3' 106.697 -5.868 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -4.0 1 O4'-C1'-N19 115.609 7.409 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.325 5 C3'-C2'-C1' 112.361 12.068 . 0.648 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 4 O4'-C1'-N19 118.639 10.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.743 4 O4'-C1'-N19 117.773 9.573 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.833 1 O4'-C1'-N19 113.939 5.739 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.832 5 C5'-C4'-C3' 107.438 -5.375 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 1 C5'-C4'-O4' 119.012 7.009 . 0.219 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 P-O3'-C3' 123.372 3.06 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.013 0 N19-C1'-C2' 108.075 -3.328 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.06 0 O5'-C5'-C4' 114.785 3.275 . 0.313 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.788 2 O4'-C1'-N19 112.779 4.579 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.821 4 C4'-C3'-C2' 92.101 -10.599 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.906 2 O4'-C1'-N19 114.174 5.974 . 0.293 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.692 2 O4'-C1'-N19 115.0 6.8 . 0.492 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.499 3 C4'-C3'-C2' 97.502 -5.198 . 0.341 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.669 3 O5'-C5'-C4' 119.183 6.416 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 4 O4'-C1'-N19 121.355 13.155 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.682 0 C5'-C4'-O4' 114.084 3.488 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.59 153.07 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 119.427 -2.046 . . . . 0.0 107.903 -175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' CZ ' ' C5 ' ' B' ' 23' ' ' ' U' . 76.7 mtp180 -156.13 153.87 30.0 Favored 'General case' 0 CA--C 1.511 -0.548 1 C-N-CA 132.155 4.182 . . . . 0.0 110.112 -173.092 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 m -83.0 132.4 35.15 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 118.486 -2.634 . . . . 0.0 105.675 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -138.03 125.69 22.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 114.553 -2.642 . . . . 0.0 109.731 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.2 mttt 48.6 47.13 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 130.726 3.61 . . . . 0.0 111.584 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.7 1.89 84.99 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 115.437 -2.868 . . . . 0.0 111.74 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -129.94 147.06 51.65 Favored 'General case' 0 C--N 1.32 -0.677 1 CA-C-N 125.441 4.621 . . . . 0.0 113.566 176.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -67.18 134.09 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 125.693 2.663 . . . . 0.0 113.027 162.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.44 159.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.982 2.113 . . . . 0.0 115.365 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' O ' " H4'" ' B' ' 35' ' ' ' A' . 53.3 ttt180 -113.79 130.37 56.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.072 0.949 . . . . 0.0 112.426 165.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.267 1.3 pp -123.13 109.4 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.677 174.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.45 -1.065 0 N-CA-C 120.676 3.299 . . . . 0.0 120.676 174.443 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 3 C1'-O4'-C4' 101.505 -8.995 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.629 1 O4'-C1'-N19 114.785 6.585 . 0.262 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 1 C4'-C3'-C2' 98.034 -4.666 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 2 O5'-C5'-C4' 117.116 4.94 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.048 1 P-O3'-C3' 125.164 4.553 . 0.217 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.383 4 O4'-C1'-N19 115.836 7.636 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.401 ' C5 ' ' CZ ' ' A' ' 3' ' ' ARG . . . . . . . . 1 O4'--C4' 1.403 -4.134 2 O4'-C1'-N19 116.236 8.036 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.475 3 N19-C1'-C2' 103.061 -6.462 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.677 1 O4'-C1'-N19 113.855 5.655 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.63 3 C4'-C3'-C2' 95.665 -7.035 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 4 C4'-C3'-C2' 96.041 -6.659 . 0.066 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.768 3 O5'-C5'-C4' 123.352 9.394 . 0.442 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.596 3 C5'-C4'-O4' 117.644 6.032 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C2'-C3'-O3' 122.188 3.996 . 0.292 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 3 P-O3'-C3' 125.949 5.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.778 1 O4'-C1'-N19 115.052 6.852 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 2 O4'-C1'-N19 116.451 8.251 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.854 2 O4'-C1'-N19 97.219 -10.981 . 0.049 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.463 " H4'" ' O ' ' A' ' 11' ' ' ARG . . . . . . . . 1 O4'--C4' 1.404 -4.061 4 O5'-C5'-C4' 117.859 5.471 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 P-O3'-C3' 123.832 3.443 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.541 3 C3'-C2'-C1' 105.415 4.351 . 0.16 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.566 3 C1'-O4'-C4' 114.325 5.25 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.493 1 C4'-C3'-C2' 95.952 -6.748 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.33 5 P-O3'-C3' 125.476 4.813 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.853 2 O4'-C1'-N19 114.481 6.281 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.535 0 C1'-O4'-C4' 113.074 3.86 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.812 2 O4'-C1'-N19 114.0 5.8 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.598 4 O4'-C1'-N19 115.229 7.029 . 0.283 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.605 0 C4'-C3'-C2' 98.704 -3.996 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 119.844 -0.122 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 t -124.95 133.84 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 127.993 2.517 . . . . 0.0 108.978 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -128.29 164.2 23.11 Favored 'General case' 0 N--CA 1.453 -0.289 1 C-N-CA 131.892 4.077 . . . . 0.0 112.08 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.6 m -92.78 134.06 35.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.671 2.389 . . . . 0.0 111.728 165.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -153.61 107.51 3.02 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.655 0.74 . . . . 0.0 112.012 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 65.17 50.86 1.74 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.356 2.262 . . . . 0.0 115.02 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.99 -46.95 3.03 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 118.488 2.155 . . . . 0.0 118.488 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.275 37.6 ttp85 -69.49 138.24 53.23 Favored 'General case' 0 N--CA 1.45 -0.462 1 C-N-CA 132.025 4.13 . . . . 0.0 111.565 -179.649 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 20.1 mmm180 -81.29 125.39 30.29 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.293 1.437 . . . . 0.0 114.585 174.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 pt -123.08 137.45 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -107.34 113.18 26.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.984 2.114 . . . . 0.0 112.652 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.563 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -107.18 104.28 16.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-O 116.934 -1.508 . . . . 0.0 111.227 170.053 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo . . . . . 0 N--CA 1.446 -1.288 1 N-CA-C 122.557 4.022 . . . . 0.0 122.557 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 2 C5'-C4'-O4' 116.16 4.971 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.696 4 C3'-C2'-C1' 97.062 -4.931 . 0.033 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 3 C4'-C3'-C2' 93.839 -8.861 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.704 2 C5'-C4'-O4' 118.845 6.889 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.412 2 P-O3'-C3' 127.655 6.63 . 0.303 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.981 2 N19-C1'-C2' 105.107 -5.183 . 0.31 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.475 2 O4'-C1'-N19 116.224 8.024 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 3 O4'-C1'-N19 112.439 4.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 0.516 ' O4 ' " H1'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.407 -3.819 3 C1'-O4'-C4' 118.918 10.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.674 3 C1'-O4'-C4' 103.704 -6.552 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.096 4 C5'-C4'-C3' 106.773 -5.818 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C1'-O4'-C4' 112.427 3.141 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 4 C5'-C4'-O4' 121.472 8.766 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.254 5 C4'-C3'-C2' 94.16 -8.54 . 0.179 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 3 O4'-C1'-N19 115.537 7.337 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.003 3 O4'-C1'-N19 114.991 6.791 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 2 O4'-C1'-N19 114.432 6.232 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 2 O4'-C1'-N19 103.609 -4.591 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C4'-C3'-C2' 99.142 -3.558 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.314 1 C4'-C3'-C2' 97.554 -5.146 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 1 C1'-O4'-C4' 113.268 4.076 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.365 2 O4'-C1'-N19 116.68 8.48 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O4'-C1'-N19 115.42 7.22 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.139 1 O4'-C1'-N19 114.065 5.865 . 0.457 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.516 " H1'" ' O4 ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.704 2 O5'-C5'-C4' 117.26 5.043 . 0.486 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 3 N19-C1'-C2' 103.906 -5.934 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.542 2 O4'-C1'-N19 116.976 8.776 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 3 C3'-C2'-C1' 108.655 7.95 . 0.327 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 4 C3'-C2'-C1' 108.279 7.533 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 m -119.43 145.48 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 127.301 2.24 . . . . 0.0 114.681 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -149.79 155.91 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.533 1.933 . . . . 0.0 115.61 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -96.25 127.56 42.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 122.331 1.062 . . . . 0.0 109.687 166.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -136.81 126.22 25.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 127.256 3.408 . . . . 0.0 112.144 -171.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 40.27 44.09 1.54 Allowed 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 116.719 -3.738 . . . . 0.0 115.951 -173.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.63 9.37 68.99 Favored Glycine 0 N--CA 1.445 -0.74 0 O-C-N 118.633 -2.542 . . . . 0.0 117.854 -176.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -148.12 154.19 39.85 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 130.797 3.639 . . . . 0.0 114.653 -166.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -92.83 131.01 38.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 128.626 2.77 . . . . 0.0 112.196 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 pt -128.74 153.73 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -111.69 138.79 47.79 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.342 1.857 . . . . 0.0 106.49 157.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER -126.84 91.82 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 C-N-CA 129.978 3.311 . . . . 0.0 111.342 172.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo . . . . . 0 N--CA 1.449 -1.116 0 C-N-CA 124.713 3.609 . . . . 0.0 112.748 -172.236 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 1 O5'-C5'-C4' 117.297 5.069 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 3 C5'-C4'-O4' 116.092 4.923 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.459 2 C5'-C4'-O4' 116.355 5.11 . 0.176 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.129 2 C3'-C2'-C1' 106.805 5.894 . 0.322 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.061 2 O5'-C5'-C4' 116.746 4.676 . 0.397 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 3 C5'-C4'-O4' 117.555 5.968 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 2 C1'-O4'-C4' 103.084 -7.24 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 2 O4'-C1'-N19 116.261 8.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.641 3 O4'-C1'-N19 116.825 8.625 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.643 3 C4'-C3'-C2' 97.152 -5.548 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.482 5 C4'-C3'-C2' 96.871 -5.829 . 0.071 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 4 C3'-C2'-C1' 95.792 -6.342 . 0.472 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.451 1 P-O3'-C3' 124.989 4.408 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.08 0 C3'-C2'-C1' 104.676 3.529 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.549 2 O4'-C1'-N19 114.693 6.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 2 O4'-C1'-N19 116.048 7.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.065 2 O4'-C1'-N19 114.106 5.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.808 2 OP1-P-OP2 111.318 -5.521 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 4 P-O3'-C3' 127.038 6.115 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.871 2 P-O5'-C5' 129.653 5.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 1 C5'-C4'-C3' 108.924 -4.384 . 0.031 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 3 O4'-C1'-N19 117.558 9.358 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.576 3 C5'-C4'-O4' 117.8 6.143 . 0.042 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 3 O4'-C1'-N19 115.57 7.37 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.813 5 C4'-C3'-C2' 91.584 -11.116 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.456 5 C3'-C2'-C1' 111.188 10.764 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.497 6 O5'-C5'-C4' 101.776 -6.017 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 4 O4'-C1'-N19 114.929 6.729 . 0.019 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.931 1 C4'-C3'-C2' 107.831 5.131 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 116.151 -1.88 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.88 156.38 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -152.48 136.24 16.21 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.741 2.816 . . . . 0.0 109.538 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m -68.77 117.04 9.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 117.862 -3.024 . . . . 0.0 110.045 161.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -120.35 131.03 54.67 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 130.709 3.604 . . . . 0.0 110.072 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt 48.8 18.96 0.22 Allowed 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 125.407 2.527 . . . . 0.0 116.994 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.78 -8.49 59.77 Favored Glycine 0 N--CA 1.446 -0.669 0 O-C-N 118.863 -2.398 . . . . 0.0 118.147 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -109.47 152.63 25.15 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 122.563 3.181 . . . . 0.0 115.977 165.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -69.66 130.89 43.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 123.098 2.681 . . . . 0.0 111.628 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.27 167.93 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 O-C-N 120.131 -1.605 . . . . 0.0 108.786 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.03 139.4 23.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 125.557 2.598 . . . . 0.0 108.434 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.3 1.3 pt -133.88 81.01 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 108.939 -3.755 . . . . 0.0 111.102 -165.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo . . . . . 0 N--CA 1.448 -1.2 0 C-N-CA 124.607 3.538 . . . . 0.0 115.269 173.012 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.463 2 O5'-C5'-C4' 118.359 5.828 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 98.98 -3.72 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.614 2 C4'-C3'-C2' 95.813 -6.887 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 1 C5'-C4'-O4' 115.645 4.604 . 0.306 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.495 2 O4'-C1'-N19 115.513 7.313 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.479 3 O5'-C5'-C4' 118.171 5.694 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.765 3 C5'-C4'-O4' 118.931 6.951 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.207 2 O4'-C1'-N19 114.249 6.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.354 2 O5'-C5'-C4' 117.49 5.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 3 N19-C1'-C2' 104.885 -5.322 . 0.108 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 1 C5'-C4'-C3' 109.351 -4.099 . 0.162 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.499 1 C4'-C3'-C2' 97.14 -5.56 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.028 2 C3'-C2'-C1' 96.585 -5.461 . 0.818 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 2 C1'-O4'-C4' 113.793 4.659 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.702 0 N19-C1'-C2' 119.707 3.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.385 3 O5'-C5'-C4' 116.578 4.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 O4'-C1'-N19 113.867 5.667 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.411 0 O4'-C4'-C3' 110.333 3.452 . 0.059 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 O3'-P-O5' 110.824 3.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.474 1 O5'-C5'-C4' 118.812 6.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.505 2 O4'-C1'-N19 117.995 9.795 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.62 4 C5'-C4'-O4' 120.453 8.038 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.578 5 C5'-C4'-C3' 105.533 -6.644 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 3 C5'-C4'-O4' 117.271 5.765 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.678 1 O4'-C1'-N19 113.952 5.752 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.179 2 O4'-C1'-N19 114.698 6.498 . 0.634 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.616 3 C4'-C3'-C2' 98.187 -4.513 . 0.013 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 O4'-C1'-N19 111.788 3.588 . 0.725 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 1 O4'-C1'-N19 113.067 4.867 . 0.912 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.05 140.93 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 C-N-CA 123.825 0.85 . . . . 0.0 111.252 -165.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.301 65.9 mtp180 -115.83 168.7 9.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 125.86 2.743 . . . . 0.0 110.471 171.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 m -105.42 137.46 43.2 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 116.853 -3.654 . . . . 0.0 105.819 151.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -148.28 130.21 15.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.906 2.082 . . . . 0.0 111.481 170.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 mttt 51.27 39.85 24.88 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -171.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.97 -2.14 88.47 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 127.939 2.685 . . . . 0.0 118.737 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -125.04 135.74 53.04 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 129.967 3.307 . . . . 0.0 111.177 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -78.03 127.7 32.73 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 116.632 -3.793 . . . . 0.0 106.099 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.428 HD13 HG21 ' A' ' 10' ' ' ILE . 3.6 pt -127.5 134.45 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 124.313 2.006 . . . . 0.0 110.751 175.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.72 133.23 33.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.117 -1.402 . . . . 0.0 113.139 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 pt -133.27 75.57 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 128.993 2.917 . . . . 0.0 104.517 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 N--CA 1.446 -1.318 1 C-N-CA 127.367 5.378 . . . . 0.0 117.508 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 1 C5'-C4'-O4' 116.537 5.241 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.484 1 C5'-C4'-O4' 119.143 7.102 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.772 4 C3'-C2'-C1' 110.361 9.846 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.408 1 C3'-C2'-C1' 96.435 -5.627 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.505 " H2'" ' C8 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.574 2 O4'-C1'-N19 112.289 4.089 . 0.654 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . 0.505 ' C8 ' " H2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.909 1 C4'-C3'-C2' 94.803 -7.897 . 0.672 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.59 1 O4'-C1'-N19 113.933 5.733 OUTLIER-DELTA 0.073 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.669 3 C3'-C2'-C1' 107.104 6.227 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 2 O3'-P-O5' 94.289 -5.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.586 0 O4'-C1'-N19 111.651 3.451 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 3 C1'-O4'-C4' 114.026 4.918 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.637 2 C4'-C3'-C2' 94.53 -8.17 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.706 1 C4'-C3'-C2' 98.092 -4.608 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 2 P-O3'-C3' 125.652 4.96 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.109 1 O4'-C1'-N19 113.444 5.244 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . 0.488 ' C8 ' ' C4 ' ' B' ' 33' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.129 5 C4'-C3'-C2' 97.46 -5.24 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.488 ' C4 ' ' C8 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.779 0 O4'-C1'-C2' 101.18 -3.729 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.411 2 C1'-O4'-C4' 115.615 6.683 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.067 0 C4'-C3'-C2' 99.063 -3.637 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.644 2 C4'-C3'-C2' 95.992 -6.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.752 1 P-O5'-C5' 128.589 4.806 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.51 3 O4'-C1'-N19 117.675 9.475 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.616 5 C4'-C3'-C2' 92.223 -10.477 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 3 O4'-C1'-N19 115.212 7.012 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.345 2 O5'-C5'-C4' 121.076 7.768 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.564 3 C4'-C3'-C2' 94.965 -7.735 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.615 2 C1'-O4'-C4' 104.54 -5.622 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.823 3 C3'-C2'-C1' 95.759 -6.379 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.537 6 C3'-C2'-C1' 109.763 9.181 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 t -124.26 129.06 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 125.783 1.633 . . . . 0.0 111.768 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' CZ ' ' C5 ' ' B' ' 23' ' ' ' U' . 45.7 mtp180 -124.65 163.51 21.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 116.827 -3.671 . . . . 0.0 107.286 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.61 108.39 19.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 129.466 3.106 . . . . 0.0 113.885 172.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -138.17 131.19 30.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 116.495 -3.878 . . . . 0.0 112.783 -171.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.5 mttt 52.84 43.26 31.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 117.731 -3.106 . . . . 0.0 113.144 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 19.66 72.77 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 128.988 3.185 . . . . 0.0 110.245 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -128.4 149.78 50.4 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 121.2 2.5 . . . . 0.0 110.299 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -68.75 129.42 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 127.286 2.235 . . . . 0.0 108.601 155.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pt -139.96 139.78 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 110.579 -3.009 . . . . 0.0 114.526 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -101.27 136.94 40.3 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.445 1.929 . . . . 0.0 111.875 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.76 92.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 129.475 3.11 . . . . 0.0 110.388 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.442 -1.526 0 C-N-CA 124.176 3.25 . . . . 0.0 117.7 -172.062 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 1 O4'-C1'-N19 113.1 4.9 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 3 O4'-C1'-N19 115.002 6.802 . 0.025 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.63 2 O4'-C1'-N19 113.539 5.339 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 2 O4'-C1'-N19 115.49 7.29 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.359 2 O4'-C1'-N19 116.74 8.54 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 2 C5'-C4'-O4' 116.976 5.554 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.517 ' C5 ' ' CZ ' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.409 -3.698 3 O4'-C1'-N19 116.664 8.464 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 3 C5'-C4'-O4' 124.899 11.213 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . 0.404 " H2'" " C5'" ' B' ' 26' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.279 2 O4'-C1'-N19 116.792 8.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.404 " C5'" " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.14 2 C1'-O4'-C4' 104.495 -5.672 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 3 C5'-C4'-O4' 120.333 7.952 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.415 1 C4'-C3'-C2' 97.141 -5.559 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.417 ' C4 ' ' C5 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.328 2 C1'-O4'-C4' 114.829 5.81 . 0.498 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.461 " H4'" ' C5 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.694 2 C1'-O4'-C4' 105.122 -4.976 . 0.258 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . 0.461 ' C5 ' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.388 3 O5'-C5'-C4' 120.279 7.199 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.642 2 O4'-C1'-N19 117.835 9.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.622 1 O4'-C1'-N19 114.464 6.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 4 P-O3'-C3' 126.44 5.616 . 0.248 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.644 0 O4'-C1'-N19 111.741 3.541 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.142 2 C5'-C4'-O4' 121.783 8.988 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 1 O5'-C5'-C4' 101.378 -6.302 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 2 C4'-C3'-C2' 94.753 -7.947 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.337 3 O4'-C1'-N19 113.421 5.221 . 0.284 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.865 2 C3'-C2'-C1' 96.411 -5.655 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.142 4 C4'-C3'-C2' 97.239 -5.461 . 0.074 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.634 1 C4'-C3'-C2' 97.819 -4.881 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.563 4 O4'-C1'-N19 115.384 7.184 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.445 4 O4'-C1'-N19 116.04 7.84 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.445 3 O5'-C5'-C4' 118.612 6.009 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.443 -0.801 0 CA-C-O 123.316 1.531 . . . . 0.0 114.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 136.49 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 130.494 3.518 . . . . 0.0 108.347 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -141.76 149.66 40.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.772 2.429 . . . . 0.0 113.208 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.421 ' O ' " H2'" ' B' ' 23' ' ' ' U' . 7.8 m -88.15 140.44 29.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 116.492 -1.718 . . . . 0.0 106.661 171.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -139.6 125.44 19.6 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 100.293 -3.965 . . . . 0.0 100.293 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt 40.41 47.29 2.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.429 3.492 . . . . 0.0 112.353 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.14 90.65 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 121.076 3.191 . . . . 0.0 121.076 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -121.96 158.87 28.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 126.645 1.978 . . . . 0.0 114.07 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -100.58 112.62 25.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 pt -103.96 136.64 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 127.424 2.29 . . . . 0.0 112.534 167.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HD3' ' C8 ' ' B' ' 35' ' ' ' A' . 63.0 ttt180 -91.73 133.29 35.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.329 1.851 . . . . 0.0 110.897 165.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.02 79.64 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 1 C-N-CA 132.523 4.329 . . . . 0.0 104.692 -176.054 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 N--CA 1.45 -1.082 0 CA-C-N 123.104 2.144 . . . . 0.0 115.669 -173.419 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.875 4 O5'-C5'-C4' 117.444 5.174 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.767 1 N19-C1'-C2' 104.562 -5.524 . 0.941 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.854 3 C5'-C4'-C3' 107.605 -5.264 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 4 P-O3'-C3' 111.527 -6.811 . 0.212 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.484 ' N2 ' " H1'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.347 3 O4'-C1'-C2' 112.168 4.12 . 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.86 2 C4'-C3'-C2' 97.258 -5.442 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.421 " H2'" ' O ' ' A' ' 4' ' ' THR . . . . . . . . 0 O4'--C4' 1.414 -3.219 1 C5'-C4'-O4' 116.548 5.249 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.697 2 C5'-C4'-O4' 118.309 6.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.94 3 C5'-C4'-C3' 105.166 -6.889 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.963 3 C3'-C2'-C1' 107.413 6.57 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 1 O4'-C1'-N19 113.123 4.923 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.437 " H2'" " O4'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.409 -3.631 2 O3'-P-O5' 113.488 4.994 . 0.42 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.437 " O4'" " H2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.597 4 O4'-C1'-N19 115.437 7.237 . 0.379 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.955 3 O4'-C1'-N19 117.925 9.725 . 0.141 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.799 3 O5'-C5'-C4' 118.883 6.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.521 4 C1'-O4'-C4' 104.422 -5.754 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.965 6 C4'-C3'-C2' 94.161 -8.539 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 3 O5'-C5'-C4' 120.087 7.062 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.447 ' C8 ' ' HD3' ' A' ' 11' ' ' ARG . . . . . . . . 0 O4'--C4' 1.408 -3.738 0 C1'-O4'-C4' 112.721 3.468 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 4 C4'-C3'-C2' 95.517 -7.183 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.522 5 C1'-O4'-C4' 116.147 7.275 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.519 2 N19-C1'-C2' 105.498 -4.939 . 0.398 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.846 4 C5'-C4'-O4' 116.778 5.413 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.62 4 O4'-C1'-N19 119.434 11.234 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.608 3 O4'-C1'-N19 114.978 6.778 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.484 " H1'" ' N2 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.513 3 N19-C1'-C2' 102.217 -6.989 . 0.075 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.767 0 OP1-P-OP2 114.489 -3.407 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.193 2 O4'-C1'-N19 119.326 11.126 . 0.415 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.886 4 O4'-C1'-N19 113.873 5.673 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -114.7 146.97 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 C-N-CA 127.109 2.163 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -130.28 159.13 37.83 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 127.053 2.141 . . . . 0.0 115.91 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -107.3 103.56 12.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 117.824 -3.048 . . . . 0.0 118.152 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -130.99 129.94 42.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.555 1.169 . . . . 0.0 108.195 -170.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.326 31.1 mttt 59.86 37.13 21.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.155 1.782 . . . . 0.0 113.565 -173.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.65 -10.99 0.94 Allowed Glycine 0 C--N 1.341 0.818 0 O-C-N 127.032 2.707 . . . . 0.0 115.447 -170.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -79.31 139.73 37.75 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -79.97 131.5 35.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 120.355 1.434 . . . . 0.0 109.905 164.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.4 pt -148.28 155.42 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 1 C-N-CA 132.269 4.227 . . . . 0.0 114.449 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -91.33 123.53 34.83 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 130.418 3.487 . . . . 0.0 102.43 -167.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm . . . . . 0 C--O 1.225 -0.229 0 N-CA-C 102.19 -3.263 . . . . 0.0 102.19 169.168 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.437 70.2 mtp180 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t -119.34 143.8 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 1 C-N-CA 131.831 4.052 . . . . 0.0 113.541 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -120.85 172.99 7.51 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 123.52 2.873 . . . . 0.0 109.288 165.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 m -129.49 133.84 47.48 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 125.827 2.727 . . . . 0.0 108.792 168.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -148.43 135.84 20.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 117.868 -3.02 . . . . 0.0 103.273 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt 47.69 43.57 16.76 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 -5.46 3.14 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-O 115.891 -2.616 . . . . 0.0 115.731 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -100.93 133.85 44.8 Favored 'General case' 0 N--CA 1.448 -0.534 1 C-N-CA 131.801 4.04 . . . . 0.0 107.829 -173.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -104.74 118.61 36.99 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -115.37 133.57 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.461 -165.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -104.14 135.14 46.19 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.666 2.386 . . . . 0.0 114.17 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 128.735 2.814 . . . . 0.0 106.547 175.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.67 141.67 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 126.096 2.122 . . . . 0.0 110.946 -165.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -145.55 153.59 41.26 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.966 -1.493 . . . . 0.0 110.498 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -96.52 99.63 11.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 124.949 1.405 . . . . 0.0 111.072 158.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -96.77 126.98 42.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.132 2.173 . . . . 0.0 109.685 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 39.85 43.27 1.18 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 128.369 2.668 . . . . 0.0 116.519 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.58 -5.76 76.59 Favored Glycine 0 C--N 1.347 1.158 1 N-CA-C 125.593 4.997 . . . . 0.0 125.593 -173.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -120.19 164.77 15.73 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.005 2.922 . . . . 0.0 105.266 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 28.5 mmm180 -83.08 146.87 28.45 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 119.959 -1.713 . . . . 0.0 113.387 174.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.6 154.15 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 O-C-N 125.133 1.521 . . . . 0.0 110.037 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -131.15 122.92 27.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.986 1.714 . . . . 0.0 110.069 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 N--CA 1.449 -0.486 0 C-N-CA 129.607 3.163 . . . . 0.0 112.6 -163.763 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.59 153.07 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 119.427 -2.046 . . . . 0.0 107.903 -175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -156.13 153.87 30.0 Favored 'General case' 0 CA--C 1.511 -0.548 1 C-N-CA 132.155 4.182 . . . . 0.0 110.112 -173.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 m -83.0 132.4 35.15 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 118.486 -2.634 . . . . 0.0 105.675 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -138.03 125.69 22.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 114.553 -2.642 . . . . 0.0 109.731 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.2 mttt 48.6 47.13 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 130.726 3.61 . . . . 0.0 111.584 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.7 1.89 84.99 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 115.437 -2.868 . . . . 0.0 111.74 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -129.94 147.06 51.65 Favored 'General case' 0 C--N 1.32 -0.677 1 CA-C-N 125.441 4.621 . . . . 0.0 113.566 176.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -67.18 134.09 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 125.693 2.663 . . . . 0.0 113.027 162.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.44 159.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.982 2.113 . . . . 0.0 115.365 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -113.79 130.37 56.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.072 0.949 . . . . 0.0 112.426 165.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.267 1.3 pp . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.677 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 119.844 -0.122 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 t -124.95 133.84 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 127.993 2.517 . . . . 0.0 108.978 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -128.29 164.2 23.11 Favored 'General case' 0 N--CA 1.453 -0.289 1 C-N-CA 131.892 4.077 . . . . 0.0 112.08 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.6 m -92.78 134.06 35.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.671 2.389 . . . . 0.0 111.728 165.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -153.61 107.51 3.02 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.655 0.74 . . . . 0.0 112.012 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 65.17 50.86 1.74 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.356 2.262 . . . . 0.0 115.02 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.99 -46.95 3.03 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 118.488 2.155 . . . . 0.0 118.488 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.275 37.6 ttp85 -69.49 138.24 53.23 Favored 'General case' 0 N--CA 1.45 -0.462 1 C-N-CA 132.025 4.13 . . . . 0.0 111.565 -179.649 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 20.1 mmm180 -81.29 125.39 30.29 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.293 1.437 . . . . 0.0 114.585 174.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 pt -123.08 137.45 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -107.34 113.18 26.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.984 2.114 . . . . 0.0 112.652 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.563 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.35 0 CA-C-O 116.934 -1.508 . . . . 0.0 111.227 170.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 m -119.43 145.48 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 127.301 2.24 . . . . 0.0 114.681 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -149.79 155.91 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.533 1.933 . . . . 0.0 115.61 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -96.25 127.56 42.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 122.331 1.062 . . . . 0.0 109.687 166.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -136.81 126.22 25.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 127.256 3.408 . . . . 0.0 112.144 -171.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 40.27 44.09 1.54 Allowed 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 116.719 -3.738 . . . . 0.0 115.951 -173.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.63 9.37 68.99 Favored Glycine 0 N--CA 1.445 -0.74 0 O-C-N 118.633 -2.542 . . . . 0.0 117.854 -176.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -148.12 154.19 39.85 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 130.797 3.639 . . . . 0.0 114.653 -166.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -92.83 131.01 38.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 128.626 2.77 . . . . 0.0 112.196 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 pt -128.74 153.73 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -111.69 138.79 47.79 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.342 1.857 . . . . 0.0 106.49 157.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.799 0 C-N-CA 129.978 3.311 . . . . 0.0 111.342 172.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 116.151 -1.88 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.88 156.38 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -152.48 136.24 16.21 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.741 2.816 . . . . 0.0 109.538 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m -68.77 117.04 9.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 117.862 -3.024 . . . . 0.0 110.045 161.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -120.35 131.03 54.67 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 130.709 3.604 . . . . 0.0 110.072 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt 48.8 18.96 0.22 Allowed 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 125.407 2.527 . . . . 0.0 116.994 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.78 -8.49 59.77 Favored Glycine 0 N--CA 1.446 -0.669 0 O-C-N 118.863 -2.398 . . . . 0.0 118.147 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -109.47 152.63 25.15 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 122.563 3.181 . . . . 0.0 115.977 165.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -69.66 130.89 43.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 123.098 2.681 . . . . 0.0 111.628 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.27 167.93 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 O-C-N 120.131 -1.605 . . . . 0.0 108.786 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.03 139.4 23.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 125.557 2.598 . . . . 0.0 108.434 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.3 1.3 pt . . . . . 0 CA--C 1.518 -0.281 0 CA-C-N 108.939 -3.755 . . . . 0.0 111.102 -165.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.05 140.93 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 C-N-CA 123.825 0.85 . . . . 0.0 111.252 -165.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.301 65.9 mtp180 -115.83 168.7 9.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 125.86 2.743 . . . . 0.0 110.471 171.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 m -105.42 137.46 43.2 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 116.853 -3.654 . . . . 0.0 105.819 151.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -148.28 130.21 15.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.906 2.082 . . . . 0.0 111.481 170.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 mttt 51.27 39.85 24.88 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -171.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.97 -2.14 88.47 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 127.939 2.685 . . . . 0.0 118.737 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -125.04 135.74 53.04 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 129.967 3.307 . . . . 0.0 111.177 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -78.03 127.7 32.73 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 116.632 -3.793 . . . . 0.0 106.099 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.428 HD13 HG21 ' A' ' 10' ' ' ILE . 3.6 pt -127.5 134.45 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 124.313 2.006 . . . . 0.0 110.751 175.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.72 133.23 33.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.117 -1.402 . . . . 0.0 113.139 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 pt . . . . . 0 N--CA 1.443 -0.819 0 C-N-CA 128.993 2.917 . . . . 0.0 104.517 -178.52 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 t -124.26 129.06 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 125.783 1.633 . . . . 0.0 111.768 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -124.65 163.51 21.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 116.827 -3.671 . . . . 0.0 107.286 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.61 108.39 19.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 129.466 3.106 . . . . 0.0 113.885 172.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -138.17 131.19 30.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 116.495 -3.878 . . . . 0.0 112.783 -171.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.5 mttt 52.84 43.26 31.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 117.731 -3.106 . . . . 0.0 113.144 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 19.66 72.77 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 128.988 3.185 . . . . 0.0 110.245 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -128.4 149.78 50.4 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 121.2 2.5 . . . . 0.0 110.299 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -68.75 129.42 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 127.286 2.235 . . . . 0.0 108.601 155.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pt -139.96 139.78 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 110.579 -3.009 . . . . 0.0 114.526 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -101.27 136.94 40.3 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.445 1.929 . . . . 0.0 111.875 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 C-N-CA 129.475 3.11 . . . . 0.0 110.388 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.443 -0.801 0 CA-C-O 123.316 1.531 . . . . 0.0 114.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 136.49 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 130.494 3.518 . . . . 0.0 108.347 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -141.76 149.66 40.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.772 2.429 . . . . 0.0 113.208 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.8 m -88.15 140.44 29.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 116.492 -1.718 . . . . 0.0 106.661 171.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -139.6 125.44 19.6 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 100.293 -3.965 . . . . 0.0 100.293 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt 40.41 47.29 2.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.429 3.492 . . . . 0.0 112.353 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.14 90.65 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 121.076 3.191 . . . . 0.0 121.076 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -121.96 158.87 28.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 126.645 1.978 . . . . 0.0 114.07 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -100.58 112.62 25.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 pt -103.96 136.64 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 127.424 2.29 . . . . 0.0 112.534 167.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -91.73 133.29 35.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.329 1.851 . . . . 0.0 110.897 165.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.463 1 C-N-CA 132.523 4.329 . . . . 0.0 104.692 -176.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.735 HH22 ' H62' ' B' ' 22' ' ' ' A' . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -114.7 146.97 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.899 0 C-N-CA 127.109 2.163 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -130.28 159.13 37.83 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 127.053 2.141 . . . . 0.0 115.91 166.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -107.3 103.56 12.95 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 117.824 -3.048 . . . . 0.0 118.152 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -130.99 129.94 42.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-O 122.555 1.169 . . . . 0.0 108.195 -170.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.326 31.1 mttt 59.86 37.13 21.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 126.155 1.782 . . . . 0.0 113.565 -173.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.65 -10.99 0.94 Allowed Glycine 0 C--N 1.341 0.818 0 O-C-N 127.032 2.707 . . . . 0.0 115.447 -170.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -79.31 139.73 37.75 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -79.97 131.5 35.83 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 120.355 1.434 . . . . 0.0 109.905 164.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.4 pt -148.28 155.42 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 1 C-N-CA 132.269 4.227 . . . . 0.0 114.449 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttt85 -91.33 123.53 34.83 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 130.418 3.487 . . . . 0.0 102.43 -167.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mm -119.66 98.52 6.37 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.229 0 N-CA-C 102.19 -3.263 . . . . 0.0 102.19 169.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo . . . . . 0 N--CA 1.456 -0.684 0 C-N-CA 125.198 3.932 . . . . 0.0 118.135 175.01 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.574 2 O4'-C1'-N19 115.229 7.029 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.568 2 C5'-C4'-C3' 107.459 -5.361 . 0.37 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.739 4 C4'-C3'-C2' 97.721 -4.979 . 0.309 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 1 C5'-C4'-O4' 117.144 5.675 . 0.368 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.486 5 O5'-C5'-C4' 122.784 8.989 . 0.685 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.735 ' H62' HH22 ' A' ' 1' ' ' ARG . . . . . . . . 0 O4'--C4' 1.412 -3.455 5 C1'-O4'-C4' 115.689 6.766 . 0.025 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 C3'-C2'-C1' 106.94 6.045 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 2 O4'-C1'-N19 114.54 6.34 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.4 3 O4'-C1'-N19 113.634 5.434 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 1 C5'-C4'-C3' 122.837 4.891 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.87 2 O4'-C1'-N19 114.805 6.605 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 2 O5'-C5'-C4' 117.803 5.431 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.51 1 C5'-C4'-C3' 109.429 -4.048 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.709 2 C5'-C4'-O4' 116.594 5.282 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.59 1 O4'-C1'-N19 114.977 6.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.595 2 O4'-C1'-N19 117.293 9.093 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.578 2 O5'-C5'-C4' 118.021 5.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.58 2 O4'-C1'-N19 112.732 4.532 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.492 1 O5'-C5'-C4' 116.807 4.719 . 0.0 OUTLIER '7D dist 4p' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.934 2 O4'-C1'-N19 114.678 6.478 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.672 3 P-O3'-C3' 126.073 5.311 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 1 O4'-C1'-N19 115.336 7.136 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 2 C4'-C3'-C2' 96.864 -5.836 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.561 2 O5'-C5'-C4' 119.35 6.536 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 2 O5'-C5'-C4' 117.33 5.093 . 0.015 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 4 C4'-C3'-C2' 96.037 -6.663 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.345 5 O4'-C1'-N19 115.404 7.204 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.456 1 C5'-C4'-O4' 123.656 10.326 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.679 2 O4'-C1'-N19 115.897 7.697 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.437 70.2 mtp180 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.6 t -119.34 143.8 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 1 C-N-CA 131.831 4.052 . . . . 0.0 113.541 175.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -120.85 172.99 7.51 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 123.52 2.873 . . . . 0.0 109.288 165.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 m -129.49 133.84 47.48 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 125.827 2.727 . . . . 0.0 108.792 168.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -148.43 135.84 20.46 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 117.868 -3.02 . . . . 0.0 103.273 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt 47.69 43.57 16.76 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -173.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.52 -5.46 3.14 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-O 115.891 -2.616 . . . . 0.0 115.731 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -100.93 133.85 44.8 Favored 'General case' 0 N--CA 1.448 -0.534 1 C-N-CA 131.801 4.04 . . . . 0.0 107.829 -173.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.5 mtt85 -104.74 118.61 36.99 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 pt -115.37 133.57 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 114.597 -1.183 . . . . 0.0 108.461 -165.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -104.14 135.14 46.19 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.666 2.386 . . . . 0.0 114.17 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.85 100.08 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 128.735 2.814 . . . . 0.0 106.547 175.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo . . . . . 0 N--CA 1.448 -1.2 0 C-N-CA 123.99 3.126 . . . . 0.0 116.739 177.468 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.962 0 C3'-C2'-C1' 98.004 -3.885 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.133 3 O4'-C1'-N19 116.329 8.129 . 0.123 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.513 1 C4'-C3'-C2' 98.578 -4.122 . 0.277 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.43 3 O4'-C1'-N19 115.255 7.055 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.817 1 O4'-C1'-N19 117.191 8.991 . 0.42 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.708 1 C4'-C3'-C2' 96.861 -5.839 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 3 O4'-C1'-N19 118.171 9.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.526 2 C3'-C2'-C1' 107.377 6.53 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 1 C5'-C4'-O4' 119.773 7.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 4 C1'-O4'-C4' 102.742 -7.62 . 0.463 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.956 3 C4'-C3'-C2' 97.83 -4.87 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 1 P-O5'-C5' 128.133 4.521 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C2'-C3'-O3' 119.951 3.197 . 0.102 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.529 0 P-O5'-C5' 115.3 -3.5 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 2 O4'-C1'-N19 114.384 6.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 1 O4'-C1'-N19 114.95 6.75 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.439 " H4'" " O5'" ' B' ' 34' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.567 2 P-O3'-C3' 126.362 5.552 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . 0.439 " O5'" " H4'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.432 2 C1'-O4'-C4' 114.598 5.553 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 1 O4'-C1'-N19 112.958 4.758 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.473 2 C4'-C3'-C2' 97.528 -5.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.792 3 C5'-C4'-O4' 118.5 6.643 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 5 C5'-C4'-O4' 116.977 5.555 . 0.189 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . 0.403 " H2'" " O4'" ' B' ' 40' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.411 -3.497 4 C4'-C3'-C2' 96.383 -6.317 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . 0.403 " O4'" " H2'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.453 4 C5'-C4'-O4' 116.832 5.451 . 0.03 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 C5'-C4'-O4' 114.983 4.131 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.586 4 P-O3'-C3' 126.094 5.329 . 0.58 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.865 0 O4'-C1'-N19 112.143 3.943 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.87 6 C3'-C2'-C1' 94.116 -8.205 . 0.07 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.085 6 C5'-C4'-O4' 118.371 6.551 . 0.176 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.67 141.67 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 126.096 2.122 . . . . 0.0 110.946 -165.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -145.55 153.59 41.26 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 116.966 -1.493 . . . . 0.0 110.498 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -96.52 99.63 11.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 124.949 1.405 . . . . 0.0 111.072 158.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -96.77 126.98 42.31 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.132 2.173 . . . . 0.0 109.685 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 39.85 43.27 1.18 Allowed 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 128.369 2.668 . . . . 0.0 116.519 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.58 -5.76 76.59 Favored Glycine 0 C--N 1.347 1.158 1 N-CA-C 125.593 4.997 . . . . 0.0 125.593 -173.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -120.19 164.77 15.73 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 129.005 2.922 . . . . 0.0 105.266 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.422 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 28.5 mmm180 -83.08 146.87 28.45 Favored 'General case' 0 C--O 1.219 -0.539 0 O-C-N 119.959 -1.713 . . . . 0.0 113.387 174.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.2 pt -130.6 154.15 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 O-C-N 125.133 1.521 . . . . 0.0 110.037 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -131.15 122.92 27.47 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.986 1.714 . . . . 0.0 110.069 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt -125.64 73.76 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 C-N-CA 129.607 3.163 . . . . 0.0 112.6 -163.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.456 -0.721 2 C-N-CA 126.728 4.952 . . . . 0.0 116.015 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.705 0 N19-C1'-C2' 108.871 -2.831 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.858 0 C3'-C2'-C1' 97.953 -3.941 . 0.017 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.775 1 O4'-C1'-N19 112.375 4.175 . 0.743 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.74 2 C4'-C3'-C2' 95.289 -7.411 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.549 3 C3'-C2'-C1' 108.656 7.951 . 0.205 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.731 2 C4'-C3'-C2' 96.372 -6.328 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.713 3 O4'-C1'-C2' 98.421 -5.699 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.543 1 O4'-C4'-C3' 98.84 -4.757 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 1 C5'-C4'-O4' 118.355 6.54 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 1 O5'-C5'-C4' 103.765 -4.597 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 1 C5'-C4'-C3' 106.697 -5.868 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -4.0 1 O4'-C1'-N19 115.609 7.409 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.325 5 C3'-C2'-C1' 112.361 12.068 . 0.648 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 4 O4'-C1'-N19 118.639 10.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.743 4 O4'-C1'-N19 117.773 9.573 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.833 1 O4'-C1'-N19 113.939 5.739 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.832 5 C5'-C4'-C3' 107.438 -5.375 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 1 C5'-C4'-O4' 119.012 7.009 . 0.219 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 P-O3'-C3' 123.372 3.06 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.013 0 N19-C1'-C2' 108.075 -3.328 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.06 0 O5'-C5'-C4' 114.785 3.275 . 0.313 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.788 2 O4'-C1'-N19 112.779 4.579 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.821 4 C4'-C3'-C2' 92.101 -10.599 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.906 2 O4'-C1'-N19 114.174 5.974 . 0.293 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.692 2 O4'-C1'-N19 115.0 6.8 . 0.492 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.499 3 C4'-C3'-C2' 97.502 -5.198 . 0.341 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.669 3 O5'-C5'-C4' 119.183 6.416 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 4 O4'-C1'-N19 121.355 13.155 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.682 0 C5'-C4'-O4' 114.084 3.488 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.59 153.07 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 119.427 -2.046 . . . . 0.0 107.903 -175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' CZ ' ' C5 ' ' B' ' 23' ' ' ' U' . 76.7 mtp180 -156.13 153.87 30.0 Favored 'General case' 0 CA--C 1.511 -0.548 1 C-N-CA 132.155 4.182 . . . . 0.0 110.112 -173.092 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.8 m -83.0 132.4 35.15 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 118.486 -2.634 . . . . 0.0 105.675 158.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -138.03 125.69 22.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 114.553 -2.642 . . . . 0.0 109.731 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.2 mttt 48.6 47.13 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 130.726 3.61 . . . . 0.0 111.584 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.7 1.89 84.99 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 115.437 -2.868 . . . . 0.0 111.74 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -129.94 147.06 51.65 Favored 'General case' 0 C--N 1.32 -0.677 1 CA-C-N 125.441 4.621 . . . . 0.0 113.566 176.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -67.18 134.09 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 125.693 2.663 . . . . 0.0 113.027 162.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.2 pt -138.44 159.37 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.982 2.113 . . . . 0.0 115.365 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' O ' " H4'" ' B' ' 35' ' ' ' A' . 53.3 ttt180 -113.79 130.37 56.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.072 0.949 . . . . 0.0 112.426 165.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.267 1.3 pp -123.13 109.4 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-O 117.175 -1.393 . . . . 0.0 111.677 174.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.45 -1.065 0 N-CA-C 120.676 3.299 . . . . 0.0 120.676 174.443 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 3 C1'-O4'-C4' 101.505 -8.995 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.629 1 O4'-C1'-N19 114.785 6.585 . 0.262 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 1 C4'-C3'-C2' 98.034 -4.666 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 2 O5'-C5'-C4' 117.116 4.94 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.048 1 P-O3'-C3' 125.164 4.553 . 0.217 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.383 4 O4'-C1'-N19 115.836 7.636 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.401 ' C5 ' ' CZ ' ' A' ' 3' ' ' ARG . . . . . . . . 1 O4'--C4' 1.403 -4.134 2 O4'-C1'-N19 116.236 8.036 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 5 4 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.475 3 N19-C1'-C2' 103.061 -6.462 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.677 1 O4'-C1'-N19 113.855 5.655 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.63 3 C4'-C3'-C2' 95.665 -7.035 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 4 C4'-C3'-C2' 96.041 -6.659 . 0.066 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.768 3 O5'-C5'-C4' 123.352 9.394 . 0.442 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.596 3 C5'-C4'-O4' 117.644 6.032 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C2'-C3'-O3' 122.188 3.996 . 0.292 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 3 P-O3'-C3' 125.949 5.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.778 1 O4'-C1'-N19 115.052 6.852 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 2 O4'-C1'-N19 116.451 8.251 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.854 2 O4'-C1'-N19 97.219 -10.981 . 0.049 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.463 " H4'" ' O ' ' A' ' 11' ' ' ARG . . . . . . . . 1 O4'--C4' 1.404 -4.061 4 O5'-C5'-C4' 117.859 5.471 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 P-O3'-C3' 123.832 3.443 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.541 3 C3'-C2'-C1' 105.415 4.351 . 0.16 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.566 3 C1'-O4'-C4' 114.325 5.25 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.493 1 C4'-C3'-C2' 95.952 -6.748 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.33 5 P-O3'-C3' 125.476 4.813 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.853 2 O4'-C1'-N19 114.481 6.281 . 0.57 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.535 0 C1'-O4'-C4' 113.074 3.86 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.812 2 O4'-C1'-N19 114.0 5.8 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.598 4 O4'-C1'-N19 115.229 7.029 . 0.283 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.605 0 C4'-C3'-C2' 98.704 -3.996 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 119.844 -0.122 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 t -124.95 133.84 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 127.993 2.517 . . . . 0.0 108.978 178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -128.29 164.2 23.11 Favored 'General case' 0 N--CA 1.453 -0.289 1 C-N-CA 131.892 4.077 . . . . 0.0 112.08 178.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.6 m -92.78 134.06 35.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 127.671 2.389 . . . . 0.0 111.728 165.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -153.61 107.51 3.02 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-O 121.655 0.74 . . . . 0.0 112.012 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 65.17 50.86 1.74 Allowed 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.356 2.262 . . . . 0.0 115.02 -169.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.99 -46.95 3.03 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 118.488 2.155 . . . . 0.0 118.488 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.275 37.6 ttp85 -69.49 138.24 53.23 Favored 'General case' 0 N--CA 1.45 -0.462 1 C-N-CA 132.025 4.13 . . . . 0.0 111.565 -179.649 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.443 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 20.1 mmm180 -81.29 125.39 30.29 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.293 1.437 . . . . 0.0 114.585 174.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 pt -123.08 137.45 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -107.34 113.18 26.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.984 2.114 . . . . 0.0 112.652 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.563 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -107.18 104.28 16.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 CA-C-O 116.934 -1.508 . . . . 0.0 111.227 170.053 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo . . . . . 0 N--CA 1.446 -1.288 1 N-CA-C 122.557 4.022 . . . . 0.0 122.557 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 2 C5'-C4'-O4' 116.16 4.971 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.696 4 C3'-C2'-C1' 97.062 -4.931 . 0.033 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 3 C4'-C3'-C2' 93.839 -8.861 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.704 2 C5'-C4'-O4' 118.845 6.889 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.412 2 P-O3'-C3' 127.655 6.63 . 0.303 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.981 2 N19-C1'-C2' 105.107 -5.183 . 0.31 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.475 2 O4'-C1'-N19 116.224 8.024 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 3 O4'-C1'-N19 112.439 4.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 0.516 ' O4 ' " H1'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.407 -3.819 3 C1'-O4'-C4' 118.918 10.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.674 3 C1'-O4'-C4' 103.704 -6.552 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.096 4 C5'-C4'-C3' 106.773 -5.818 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C1'-O4'-C4' 112.427 3.141 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 4 C5'-C4'-O4' 121.472 8.766 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.254 5 C4'-C3'-C2' 94.16 -8.54 . 0.179 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 3 O4'-C1'-N19 115.537 7.337 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.003 3 O4'-C1'-N19 114.991 6.791 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 2 O4'-C1'-N19 114.432 6.232 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 2 O4'-C1'-N19 103.609 -4.591 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C4'-C3'-C2' 99.142 -3.558 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.314 1 C4'-C3'-C2' 97.554 -5.146 . 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 1 C1'-O4'-C4' 113.268 4.076 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.365 2 O4'-C1'-N19 116.68 8.48 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O4'-C1'-N19 115.42 7.22 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.139 1 O4'-C1'-N19 114.065 5.865 . 0.457 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.516 " H1'" ' O4 ' ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.704 2 O5'-C5'-C4' 117.26 5.043 . 0.486 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 3 N19-C1'-C2' 103.906 -5.934 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.542 2 O4'-C1'-N19 116.976 8.776 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 3 C3'-C2'-C1' 108.655 7.95 . 0.327 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 4 C3'-C2'-C1' 108.279 7.533 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 m -119.43 145.48 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 127.301 2.24 . . . . 0.0 114.681 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -149.79 155.91 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.533 1.933 . . . . 0.0 115.61 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -96.25 127.56 42.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 122.331 1.062 . . . . 0.0 109.687 166.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -136.81 126.22 25.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 127.256 3.408 . . . . 0.0 112.144 -171.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 40.27 44.09 1.54 Allowed 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 116.719 -3.738 . . . . 0.0 115.951 -173.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.63 9.37 68.99 Favored Glycine 0 N--CA 1.445 -0.74 0 O-C-N 118.633 -2.542 . . . . 0.0 117.854 -176.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -148.12 154.19 39.85 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 130.797 3.639 . . . . 0.0 114.653 -166.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -92.83 131.01 38.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 128.626 2.77 . . . . 0.0 112.196 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.4 pt -128.74 153.73 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -111.69 138.79 47.79 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.342 1.857 . . . . 0.0 106.49 157.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER -126.84 91.82 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 C-N-CA 129.978 3.311 . . . . 0.0 111.342 172.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo . . . . . 0 N--CA 1.449 -1.116 0 C-N-CA 124.713 3.609 . . . . 0.0 112.748 -172.236 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 1 O5'-C5'-C4' 117.297 5.069 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 3 C5'-C4'-O4' 116.092 4.923 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.459 2 C5'-C4'-O4' 116.355 5.11 . 0.176 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.129 2 C3'-C2'-C1' 106.805 5.894 . 0.322 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.061 2 O5'-C5'-C4' 116.746 4.676 . 0.397 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 3 C5'-C4'-O4' 117.555 5.968 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 2 C1'-O4'-C4' 103.084 -7.24 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 2 O4'-C1'-N19 116.261 8.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.641 3 O4'-C1'-N19 116.825 8.625 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.643 3 C4'-C3'-C2' 97.152 -5.548 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.482 5 C4'-C3'-C2' 96.871 -5.829 . 0.071 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 4 C3'-C2'-C1' 95.792 -6.342 . 0.472 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.451 1 P-O3'-C3' 124.989 4.408 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.08 0 C3'-C2'-C1' 104.676 3.529 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.549 2 O4'-C1'-N19 114.693 6.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 2 O4'-C1'-N19 116.048 7.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.065 2 O4'-C1'-N19 114.106 5.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.808 2 OP1-P-OP2 111.318 -5.521 . 0.01 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 4 P-O3'-C3' 127.038 6.115 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.871 2 P-O5'-C5' 129.653 5.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 1 C5'-C4'-C3' 108.924 -4.384 . 0.031 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 3 O4'-C1'-N19 117.558 9.358 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.576 3 C5'-C4'-O4' 117.8 6.143 . 0.042 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 3 O4'-C1'-N19 115.57 7.37 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.813 5 C4'-C3'-C2' 91.584 -11.116 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.456 5 C3'-C2'-C1' 111.188 10.764 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.497 6 O5'-C5'-C4' 101.776 -6.017 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.371 4 O4'-C1'-N19 114.929 6.729 . 0.019 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.931 1 C4'-C3'-C2' 107.831 5.131 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 . . . . . 0 N--CA 1.446 -0.638 0 CA-C-O 116.151 -1.88 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 m -131.88 156.38 42.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.355 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -152.48 136.24 16.21 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 128.741 2.816 . . . . 0.0 109.538 176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m -68.77 117.04 9.97 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 117.862 -3.024 . . . . 0.0 110.045 161.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -120.35 131.03 54.67 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 130.709 3.604 . . . . 0.0 110.072 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt 48.8 18.96 0.22 Allowed 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 125.407 2.527 . . . . 0.0 116.994 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.78 -8.49 59.77 Favored Glycine 0 N--CA 1.446 -0.669 0 O-C-N 118.863 -2.398 . . . . 0.0 118.147 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -109.47 152.63 25.15 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 122.563 3.181 . . . . 0.0 115.977 165.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -69.66 130.89 43.61 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 123.098 2.681 . . . . 0.0 111.628 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 pt -107.27 167.93 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 O-C-N 120.131 -1.605 . . . . 0.0 108.786 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.03 139.4 23.56 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 125.557 2.598 . . . . 0.0 108.434 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.3 1.3 pt -133.88 81.01 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 108.939 -3.755 . . . . 0.0 111.102 -165.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo . . . . . 0 N--CA 1.448 -1.2 0 C-N-CA 124.607 3.538 . . . . 0.0 115.269 173.012 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.463 2 O5'-C5'-C4' 118.359 5.828 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 98.98 -3.72 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.614 2 C4'-C3'-C2' 95.813 -6.887 . 0.307 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 1 C5'-C4'-O4' 115.645 4.604 . 0.306 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.495 2 O4'-C1'-N19 115.513 7.313 . 0.221 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.479 3 O5'-C5'-C4' 118.171 5.694 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.765 3 C5'-C4'-O4' 118.931 6.951 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.207 2 O4'-C1'-N19 114.249 6.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.354 2 O5'-C5'-C4' 117.49 5.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 3 N19-C1'-C2' 104.885 -5.322 . 0.108 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 1 C5'-C4'-C3' 109.351 -4.099 . 0.162 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.499 1 C4'-C3'-C2' 97.14 -5.56 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.028 2 C3'-C2'-C1' 96.585 -5.461 . 0.818 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 2 C1'-O4'-C4' 113.793 4.659 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.702 0 N19-C1'-C2' 119.707 3.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.385 3 O5'-C5'-C4' 116.578 4.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 O4'-C1'-N19 113.867 5.667 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.411 0 O4'-C4'-C3' 110.333 3.452 . 0.059 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 O3'-P-O5' 110.824 3.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.474 1 O5'-C5'-C4' 118.812 6.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.505 2 O4'-C1'-N19 117.995 9.795 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.62 4 C5'-C4'-O4' 120.453 8.038 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.578 5 C5'-C4'-C3' 105.533 -6.644 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 3 C5'-C4'-O4' 117.271 5.765 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.678 1 O4'-C1'-N19 113.952 5.752 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.179 2 O4'-C1'-N19 114.698 6.498 . 0.634 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.616 3 C4'-C3'-C2' 98.187 -4.513 . 0.013 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 O4'-C1'-N19 111.788 3.588 . 0.725 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 1 O4'-C1'-N19 113.067 4.867 . 0.912 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.05 140.93 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 C-N-CA 123.825 0.85 . . . . 0.0 111.252 -165.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.301 65.9 mtp180 -115.83 168.7 9.82 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 125.86 2.743 . . . . 0.0 110.471 171.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 m -105.42 137.46 43.2 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 116.853 -3.654 . . . . 0.0 105.819 151.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -148.28 130.21 15.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.906 2.082 . . . . 0.0 111.481 170.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.9 mttt 51.27 39.85 24.88 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -171.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.97 -2.14 88.47 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 127.939 2.685 . . . . 0.0 118.737 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -125.04 135.74 53.04 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 129.967 3.307 . . . . 0.0 111.177 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -78.03 127.7 32.73 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 116.632 -3.793 . . . . 0.0 106.099 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.428 HD13 HG21 ' A' ' 10' ' ' ILE . 3.6 pt -127.5 134.45 65.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-O 124.313 2.006 . . . . 0.0 110.751 175.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -87.72 133.23 33.89 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.117 -1.402 . . . . 0.0 113.139 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.2 pt -133.27 75.57 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 128.993 2.917 . . . . 0.0 104.517 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo . . . . . 0 N--CA 1.446 -1.318 1 C-N-CA 127.367 5.378 . . . . 0.0 117.508 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 1 C5'-C4'-O4' 116.537 5.241 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.484 1 C5'-C4'-O4' 119.143 7.102 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.772 4 C3'-C2'-C1' 110.361 9.846 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.408 1 C3'-C2'-C1' 96.435 -5.627 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.505 " H2'" ' C8 ' ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.574 2 O4'-C1'-N19 112.289 4.089 . 0.654 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . 0.505 ' C8 ' " H2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.909 1 C4'-C3'-C2' 94.803 -7.897 . 0.672 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.59 1 O4'-C1'-N19 113.933 5.733 OUTLIER-DELTA 0.073 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.669 3 C3'-C2'-C1' 107.104 6.227 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 2 O3'-P-O5' 94.289 -5.111 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.586 0 O4'-C1'-N19 111.651 3.451 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 3 C1'-O4'-C4' 114.026 4.918 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.637 2 C4'-C3'-C2' 94.53 -8.17 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.706 1 C4'-C3'-C2' 98.092 -4.608 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 2 P-O3'-C3' 125.652 4.96 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.109 1 O4'-C1'-N19 113.444 5.244 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . 0.488 ' C8 ' ' C4 ' ' B' ' 33' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.129 5 C4'-C3'-C2' 97.46 -5.24 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.488 ' C4 ' ' C8 ' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.779 0 O4'-C1'-C2' 101.18 -3.729 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.411 2 C1'-O4'-C4' 115.615 6.683 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.067 0 C4'-C3'-C2' 99.063 -3.637 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.644 2 C4'-C3'-C2' 95.992 -6.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.752 1 P-O5'-C5' 128.589 4.806 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.51 3 O4'-C1'-N19 117.675 9.475 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.616 5 C4'-C3'-C2' 92.223 -10.477 . 0.371 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 3 O4'-C1'-N19 115.212 7.012 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.345 2 O5'-C5'-C4' 121.076 7.768 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.564 3 C4'-C3'-C2' 94.965 -7.735 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.615 2 C1'-O4'-C4' 104.54 -5.622 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.823 3 C3'-C2'-C1' 95.759 -6.379 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.537 6 C3'-C2'-C1' 109.763 9.181 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 t -124.26 129.06 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 125.783 1.633 . . . . 0.0 111.768 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' CZ ' ' C5 ' ' B' ' 23' ' ' ' U' . 45.7 mtp180 -124.65 163.51 21.85 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 116.827 -3.671 . . . . 0.0 107.286 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.61 108.39 19.64 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 129.466 3.106 . . . . 0.0 113.885 172.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -138.17 131.19 30.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 116.495 -3.878 . . . . 0.0 112.783 -171.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.5 mttt 52.84 43.26 31.73 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 117.731 -3.106 . . . . 0.0 113.144 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 19.66 72.77 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 128.988 3.185 . . . . 0.0 110.245 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -128.4 149.78 50.4 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 121.2 2.5 . . . . 0.0 110.299 173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -68.75 129.42 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 127.286 2.235 . . . . 0.0 108.601 155.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pt -139.96 139.78 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 110.579 -3.009 . . . . 0.0 114.526 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -101.27 136.94 40.3 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.445 1.929 . . . . 0.0 111.875 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.76 92.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 129.475 3.11 . . . . 0.0 110.388 -178.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.442 -1.526 0 C-N-CA 124.176 3.25 . . . . 0.0 117.7 -172.062 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 1 O4'-C1'-N19 113.1 4.9 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 3 O4'-C1'-N19 115.002 6.802 . 0.025 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.63 2 O4'-C1'-N19 113.539 5.339 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 2 O4'-C1'-N19 115.49 7.29 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.359 2 O4'-C1'-N19 116.74 8.54 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 2 C5'-C4'-O4' 116.976 5.554 OUTLIER-DELTA 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.517 ' C5 ' ' CZ ' ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.409 -3.698 3 O4'-C1'-N19 116.664 8.464 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 3 C5'-C4'-O4' 124.899 11.213 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . 0.404 " H2'" " C5'" ' B' ' 26' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.279 2 O4'-C1'-N19 116.792 8.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.404 " C5'" " H2'" ' B' ' 25' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.415 -3.14 2 C1'-O4'-C4' 104.495 -5.672 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 3 C5'-C4'-O4' 120.333 7.952 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.415 1 C4'-C3'-C2' 97.141 -5.559 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.417 ' C4 ' ' C5 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.328 2 C1'-O4'-C4' 114.829 5.81 . 0.498 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.461 " H4'" ' C5 ' ' B' ' 31' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.694 2 C1'-O4'-C4' 105.122 -4.976 . 0.258 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . 0.461 ' C5 ' " H4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.412 -3.388 3 O5'-C5'-C4' 120.279 7.199 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.642 2 O4'-C1'-N19 117.835 9.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.622 1 O4'-C1'-N19 114.464 6.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 4 P-O3'-C3' 126.44 5.616 . 0.248 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.644 0 O4'-C1'-N19 111.741 3.541 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.142 2 C5'-C4'-O4' 121.783 8.988 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 1 O5'-C5'-C4' 101.378 -6.302 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 2 C4'-C3'-C2' 94.753 -7.947 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.337 3 O4'-C1'-N19 113.421 5.221 . 0.284 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.865 2 C3'-C2'-C1' 96.411 -5.655 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.142 4 C4'-C3'-C2' 97.239 -5.461 . 0.074 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.634 1 C4'-C3'-C2' 97.819 -4.881 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.563 4 O4'-C1'-N19 115.384 7.184 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.445 4 O4'-C1'-N19 116.04 7.84 . 0.506 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.445 3 O5'-C5'-C4' 118.612 6.009 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 N--CA 1.443 -0.801 0 CA-C-O 123.316 1.531 . . . . 0.0 114.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.03 136.49 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 130.494 3.518 . . . . 0.0 108.347 -175.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -141.76 149.66 40.74 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 127.772 2.429 . . . . 0.0 113.208 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.421 ' O ' " H2'" ' B' ' 23' ' ' ' U' . 7.8 m -88.15 140.44 29.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 116.492 -1.718 . . . . 0.0 106.661 171.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -139.6 125.44 19.6 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 100.293 -3.965 . . . . 0.0 100.293 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt 40.41 47.29 2.2 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 130.429 3.492 . . . . 0.0 112.353 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.01 2.14 90.65 Favored Glycine 0 C--N 1.34 0.789 0 N-CA-C 121.076 3.191 . . . . 0.0 121.076 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.6 mtt-85 -121.96 158.87 28.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 126.645 1.978 . . . . 0.0 114.07 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -100.58 112.62 25.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 -175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.2 pt -103.96 136.64 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 127.424 2.29 . . . . 0.0 112.534 167.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HD3' ' C8 ' ' B' ' 35' ' ' ' A' . 63.0 ttt180 -91.73 133.29 35.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 126.329 1.851 . . . . 0.0 110.897 165.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.02 79.64 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 1 C-N-CA 132.523 4.329 . . . . 0.0 104.692 -176.054 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 N--CA 1.45 -1.082 0 CA-C-N 123.104 2.144 . . . . 0.0 115.669 -173.419 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.875 4 O5'-C5'-C4' 117.444 5.174 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.767 1 N19-C1'-C2' 104.562 -5.524 . 0.941 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.854 3 C5'-C4'-C3' 107.605 -5.264 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 4 P-O3'-C3' 111.527 -6.811 . 0.212 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.484 ' N2 ' " H1'" ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.347 3 O4'-C1'-C2' 112.168 4.12 . 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.86 2 C4'-C3'-C2' 97.258 -5.442 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.421 " H2'" ' O ' ' A' ' 4' ' ' THR . . . . . . . . 0 O4'--C4' 1.414 -3.219 1 C5'-C4'-O4' 116.548 5.249 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.697 2 C5'-C4'-O4' 118.309 6.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.94 3 C5'-C4'-C3' 105.166 -6.889 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.963 3 C3'-C2'-C1' 107.413 6.57 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 1 O4'-C1'-N19 113.123 4.923 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.437 " H2'" " O4'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.409 -3.631 2 O3'-P-O5' 113.488 4.994 . 0.42 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.437 " O4'" " H2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.597 4 O4'-C1'-N19 115.437 7.237 . 0.379 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.955 3 O4'-C1'-N19 117.925 9.725 . 0.141 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.799 3 O5'-C5'-C4' 118.883 6.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.521 4 C1'-O4'-C4' 104.422 -5.754 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.965 6 C4'-C3'-C2' 94.161 -8.539 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 3 O5'-C5'-C4' 120.087 7.062 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.447 ' C8 ' ' HD3' ' A' ' 11' ' ' ARG . . . . . . . . 0 O4'--C4' 1.408 -3.738 0 C1'-O4'-C4' 112.721 3.468 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 4 C4'-C3'-C2' 95.517 -7.183 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.522 5 C1'-O4'-C4' 116.147 7.275 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.519 2 N19-C1'-C2' 105.498 -4.939 . 0.398 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.846 4 C5'-C4'-O4' 116.778 5.413 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.62 4 O4'-C1'-N19 119.434 11.234 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.608 3 O4'-C1'-N19 114.978 6.778 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.484 " H1'" ' N2 ' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.513 3 N19-C1'-C2' 102.217 -6.989 . 0.075 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.767 0 OP1-P-OP2 114.489 -3.407 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.193 2 O4'-C1'-N19 119.326 11.126 . 0.415 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.886 4 O4'-C1'-N19 113.873 5.673 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_