data_5j2w_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 5j2w _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 . . . . . . . . . . . . . 66.3 mtp180 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 125.947 2.784 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -133.27 140.19 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.815 -163.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -138.22 143.14 40.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 126.487 3.042 . . . . 0.0 111.646 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 p -91.82 127.67 37.37 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.096 -1.865 . . . . 0.0 107.603 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -141.45 113.2 7.76 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 118.86 -2.4 . . . . 0.0 106.745 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 54.08 47.43 23.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 156.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.13 -7.4 32.79 Favored Glycine 0 C--O 1.224 -0.515 0 C-N-CA 129.864 3.602 . . . . 0.0 114.444 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -150.5 151.56 32.87 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.747 2.773 . . . . 0.0 117.059 -169.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -82.46 136.72 34.85 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 126.323 2.963 . . . . 0.0 106.731 168.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.332 12.1 pt -113.81 154.16 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.792 3.237 . . . . 0.0 110.443 165.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -116.69 142.11 47.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 122.868 1.318 . . . . 0.0 108.444 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.448 -0.562 0 C-N-CA 127.002 2.121 . . . . 0.0 106.095 -178.582 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -132.42 149.8 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.804 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -142.32 150.33 40.66 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -74.94 145.59 42.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 158.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -151.12 134.48 16.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.089 -1.868 . . . . 0.0 106.56 164.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.287 31.7 tttt 45.5 49.45 10.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.366 1.466 . . . . 0.0 111.986 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.6 -1.01 5.96 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 121.828 3.491 . . . . 0.0 121.828 -174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -119.53 167.71 11.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -114.0 145.95 40.83 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 118.254 -2.779 . . . . 0.0 115.172 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -159.54 139.15 3.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 126.015 1.726 . . . . 0.0 111.896 -165.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -80.22 147.42 31.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 126.92 3.247 . . . . 0.0 110.037 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 pt . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 130.005 3.322 . . . . 0.0 116.599 163.056 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 m -116.09 143.14 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 124.877 2.275 . . . . 0.0 113.915 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.329 7.1 ptm85 -132.04 -175.78 3.85 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.68 2.792 . . . . 0.0 110.288 160.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.6 m -114.08 137.77 51.3 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 112.609 -3.567 . . . . 0.0 110.342 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -149.43 124.72 10.19 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 126.558 3.075 . . . . 0.0 107.742 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.267 79.4 mttt 58.44 26.67 14.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 112.342 -2.208 . . . . 0.0 112.331 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.09 5.48 73.13 Favored Glycine 0 CA--C 1.524 0.619 0 O-C-N 117.672 -3.143 . . . . 0.0 115.403 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.281 22.5 ptt180 -120.55 153.19 37.09 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 122.216 3.008 . . . . 0.0 110.994 165.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -74.63 130.55 39.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 124.132 0.895 . . . . 0.0 112.514 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -120.41 154.91 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 128.255 2.622 . . . . 0.0 114.867 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -80.54 141.22 35.33 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.805 170.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 CA--C 1.512 -0.51 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 168.594 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 m -137.78 160.72 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.016 2.126 . . . . 0.0 109.664 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -140.79 149.21 41.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.809 2.242 . . . . 0.0 111.169 162.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -80.1 135.38 36.31 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 123.471 1.605 . . . . 0.0 107.95 157.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -156.94 130.38 8.03 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 118.521 -2.612 . . . . 0.0 109.275 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 48.21 48.61 18.51 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.616 2.767 . . . . 0.0 110.842 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.25 4.48 64.0 Favored Glycine 0 CA--C 1.522 0.525 0 CA-C-O 117.185 -1.897 . . . . 0.0 114.501 177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -124.88 158.7 32.85 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 122.859 3.33 . . . . 0.0 111.762 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -90.46 144.62 25.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 117.832 -3.043 . . . . 0.0 110.293 164.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.95 140.41 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 127.889 2.476 . . . . 0.0 110.913 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -90.44 128.48 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 116.54 -1.695 . . . . 0.0 109.339 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.427 13.0 pt . . . . . 0 CA--C 1.515 -0.378 1 O-C-N 130.956 5.16 . . . . 0.0 115.229 178.862 . . . . . . . . 2 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 mtm-85 . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.309 6.7 m -123.76 156.15 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 128.817 3.823 . . . . 0.0 114.672 -176.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -149.98 162.52 40.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.606 1.962 . . . . 0.0 108.851 171.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.0 m -105.96 125.51 51.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.966 -1.969 . . . . 0.0 107.085 171.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.312 47.4 mtp180 -130.31 121.8 26.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 128.788 2.835 . . . . 0.0 118.423 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? 48.38 39.78 13.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 127.618 2.367 . . . . 0.0 115.776 -164.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.67 -13.68 54.96 Favored Glycine 0 C--N 1.343 0.936 1 C-N-CA 131.677 4.465 . . . . 0.0 112.681 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -102.19 156.3 17.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 117.762 -3.199 . . . . 0.0 110.451 -167.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -94.18 124.46 38.21 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.429 2.3 pp -130.3 144.34 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 1 C-N-CA 134.2 5.0 . . . . 0.0 111.664 -168.253 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.06 138.66 32.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 129.701 3.2 . . . . 0.0 107.406 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 115.235 -2.317 . . . . 0.0 110.385 167.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.31 142.34 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 O-C-N 117.613 -3.179 . . . . 0.0 111.326 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -128.92 141.57 51.23 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.1 m -69.11 131.21 44.62 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.227 1.489 . . . . 0.0 113.128 166.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -156.33 130.18 8.45 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.725 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 56.83 46.06 20.48 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.696 2.498 . . . . 0.0 109.981 171.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 29.55 73.11 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 130.696 3.998 . . . . 0.0 117.304 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -152.46 159.85 43.31 Favored 'General case' 0 N--CA 1.449 -0.476 1 O-C-N 116.193 -4.122 . . . . 0.0 105.236 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -81.26 152.39 27.64 Favored 'General case' 0 N--CA 1.452 -0.331 1 O-C-N 115.132 -4.73 . . . . 0.0 113.049 160.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -153.92 141.07 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 O-C-N 127.208 2.817 . . . . 0.0 111.172 -173.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -70.26 136.33 49.79 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 128.259 2.624 . . . . 0.0 114.685 -171.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.302 33.8 pt . . . . . 0 N--CA 1.452 -0.35 0 C-N-CA 128.772 2.829 . . . . 0.0 110.98 163.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 . . . . . 0 N--CA 1.442 -0.854 0 CA-C-O 123.958 1.837 . . . . 0.0 115.946 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.9 t -143.3 120.63 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 118.551 -2.593 . . . . 0.0 107.95 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -158.29 171.3 20.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 121.295 1.862 . . . . 0.0 114.688 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m -86.28 137.63 32.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.258 165.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -158.16 112.13 2.51 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 120.236 1.38 . . . . 0.0 109.722 -173.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 45.37 72.51 0.21 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 124.885 2.279 . . . . 0.0 113.899 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.96 -19.85 2.02 Favored Glycine 0 C--N 1.341 0.854 0 O-C-N 119.475 -2.016 . . . . 0.0 117.784 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -134.08 171.7 13.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 116.416 -3.991 . . . . 0.0 117.41 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -87.77 134.43 33.68 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 129.809 3.243 . . . . 0.0 107.759 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 pt -130.0 152.33 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 129.259 3.024 . . . . 0.0 109.053 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -122.99 113.89 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 125.158 1.383 . . . . 0.0 110.075 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt . . . . . 0 N--CA 1.451 -0.395 0 C-N-CA 130.682 3.593 . . . . 0.0 113.707 -168.128 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.69 163.3 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 127.551 2.341 . . . . 0.0 113.172 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -160.75 141.62 11.69 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.1 130.72 35.5 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.797 -1.814 . . . . 0.0 108.972 168.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -150.44 129.11 12.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.567 1.547 . . . . 0.0 108.479 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.424 87.5 mttt 62.39 28.38 16.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 168.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.44 -14.77 63.88 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 115.592 -2.782 . . . . 0.0 116.541 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.68 161.28 35.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 120.43 2.115 . . . . 0.0 116.301 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -76.27 133.82 39.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 120.295 1.407 . . . . 0.0 114.747 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.4 tt -122.9 143.53 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.041 1.736 . . . . 0.0 109.849 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.435 34.1 ttm-85 -82.27 143.58 31.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 167.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 pt . . . . . 0 C--O 1.217 -0.629 0 CA-C-N 111.667 -2.515 . . . . 0.0 113.998 -172.365 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -82.42 153.75 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 116.993 -3.567 . . . . 0.0 110.302 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -144.16 170.22 16.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 123.369 1.557 . . . . 0.0 108.558 165.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m -111.56 133.26 53.95 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 117.088 -3.507 . . . . 0.0 112.736 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -126.31 119.27 26.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 111.512 -2.585 . . . . 0.0 109.7 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt 26.7 73.57 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 -171.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.07 -11.69 0.47 Allowed Glycine 0 C--N 1.339 0.735 0 N-CA-C 116.158 1.223 . . . . 0.0 116.158 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -99.92 132.71 45.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.047 -1.266 . . . . 0.0 112.527 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -91.64 130.07 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 125.323 2.487 . . . . 0.0 105.841 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.6 149.57 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 108.695 -3.866 . . . . 0.0 108.995 -172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -118.98 107.09 13.11 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 35.5 mm . . . . . 0 N--CA 1.451 -0.405 0 C-N-CA 126.449 1.899 . . . . 0.0 112.939 -158.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.079 -0.962 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 t -144.35 140.17 24.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 120.274 1.397 . . . . 0.0 112.517 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -142.71 158.18 43.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 146.74 32.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 115.784 -2.055 . . . . 0.0 109.886 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -158.08 138.76 12.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 127.97 2.508 . . . . 0.0 109.326 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 52.74 22.64 2.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 126.782 2.033 . . . . 0.0 112.534 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.37 11.94 63.75 Favored Glycine 0 N--CA 1.444 -0.779 0 O-C-N 124.312 1.008 . . . . 0.0 114.86 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -129.53 159.19 37.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 118.844 1.322 . . . . 0.0 113.695 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -85.56 124.37 32.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 116.647 -3.783 . . . . 0.0 120.756 169.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -110.87 149.2 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -67.51 141.22 56.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 128.283 2.633 . . . . 0.0 107.914 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 pt . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 125.164 2.411 . . . . 0.0 108.411 165.7 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 125.947 2.784 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -133.27 140.19 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.815 -163.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -138.22 143.14 40.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 126.487 3.042 . . . . 0.0 111.646 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 p -91.82 127.67 37.37 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.096 -1.865 . . . . 0.0 107.603 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -141.45 113.2 7.76 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 118.86 -2.4 . . . . 0.0 106.745 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 54.08 47.43 23.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 156.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.13 -7.4 32.79 Favored Glycine 0 C--O 1.224 -0.515 0 C-N-CA 129.864 3.602 . . . . 0.0 114.444 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -150.5 151.56 32.87 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.747 2.773 . . . . 0.0 117.059 -169.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -82.46 136.72 34.85 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 126.323 2.963 . . . . 0.0 106.731 168.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.332 12.1 pt -113.81 154.16 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.792 3.237 . . . . 0.0 110.443 165.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -116.69 142.11 47.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 122.868 1.318 . . . . 0.0 108.444 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mt -138.82 113.79 8.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 127.002 2.121 . . . . 0.0 106.095 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 N--CA 1.448 -1.189 0 C-N-CA 124.448 3.432 . . . . 0.0 113.065 169.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.718 2 O4'-C1'-N19 120.618 12.418 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.935 1 O4'-C1'-N19 114.672 6.472 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.472 5 C3'-C2'-C1' 96.853 -5.164 . 0.247 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 2 C3'-C2'-C1' 105.366 4.295 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 1 C5'-C4'-O4' 118.234 6.453 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.741 2 O4'-C1'-N19 114.411 6.211 OUTLIER-DELTA 0.1 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.265 6 C3'-C2'-C1' 108.154 7.393 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 4 P-O3'-C3' 128.791 7.576 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 1 O3'-P-O5' 95.574 -4.435 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.544 3 O4'-C1'-N19 114.435 6.235 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.787 3 C5'-C4'-O4' 117.935 6.239 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.949 0 C3'-C2'-C1' 105.001 3.89 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 3 O4'-C1'-N19 115.565 7.365 . 0.129 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 4 C4'-C3'-C2' 97.268 -5.432 . 0.186 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.082 1 O4'-C1'-N19 120.974 12.774 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 1 O4'-C1'-N19 117.295 9.095 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.016 2 O4'-C1'-N19 117.926 9.726 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.803 3 O4'-C1'-N19 100.007 -8.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 3 O4'-C1'-N19 117.356 9.156 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.526 1 O4'-C1'-N19 118.344 10.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.738 1 O5'-C5'-C4' 115.876 4.054 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 3 O4'-C1'-N19 114.149 5.949 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 3 O4'-C1'-N19 119.58 11.38 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.789 2 N19-C1'-C2' 104.536 -5.54 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.733 2 C4'-C3'-O3' 122.995 4.767 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.804 1 C4'-C3'-C2' 97.365 -5.335 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 C5'-C4'-C3' 108.62 -4.587 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.797 1 O4'-C1'-N19 115.475 7.275 . 0.346 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 2 C3'-C2'-C1' 105.684 4.649 . 0.166 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -132.42 149.8 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.804 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -142.32 150.33 40.66 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -74.94 145.59 42.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 158.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -151.12 134.48 16.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.089 -1.868 . . . . 0.0 106.56 164.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.287 31.7 tttt 45.5 49.45 10.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.366 1.466 . . . . 0.0 111.986 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.6 -1.01 5.96 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 121.828 3.491 . . . . 0.0 121.828 -174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -119.53 167.71 11.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -114.0 145.95 40.83 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 118.254 -2.779 . . . . 0.0 115.172 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -159.54 139.15 3.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 126.015 1.726 . . . . 0.0 111.896 -165.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -80.22 147.42 31.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 126.92 3.247 . . . . 0.0 110.037 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.21 94.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 130.005 3.322 . . . . 0.0 116.599 163.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo . . . . . 0 N--CA 1.445 -1.339 1 C-N-CA 127.227 5.284 . . . . 0.0 118.419 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 2 O4'-C1'-N19 114.059 5.859 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.124 3 C4'-C3'-C2' 106.895 4.195 . 0.12 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.834 5 C1'-O4'-C4' 115.634 6.704 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.175 4 O4'-C1'-N19 116.533 8.333 . 0.152 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 1 P-O3'-C3' 125.47 4.809 . 0.324 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 1 C1'-O4'-C4' 105.838 -4.18 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.631 3 C1'-O4'-C4' 113.656 4.506 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.707 2 O4'-C1'-N19 113.266 5.066 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.897 1 O4'-C1'-N19 103.312 -4.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . 0.41 ' N2 ' " H1'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.53 3 O4'-C1'-N19 118.7 10.5 . 0.044 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . 0.41 " H1'" ' N2 ' ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.83 1 O4'-C1'-N19 113.837 5.637 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.655 4 C5'-C4'-O4' 116.936 5.526 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.575 1 C4'-C3'-C2' 97.92 -4.78 . 0.222 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.671 0 C5'-C4'-C3' 110.142 -3.572 . 0.168 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . 0.428 " H4'" ' C4 ' ' B' ' 32' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.404 -4.093 5 C1'-O4'-C4' 115.129 6.144 . 0.345 3b . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.428 ' C4 ' " H4'" ' B' ' 31' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.405 -4.007 1 O5'-C5'-C4' 117.367 5.119 . 0.476 0b . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.53 1 O4'-C1'-N19 113.916 5.716 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 0 O4'-C1'-C2' 101.27 -3.664 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 4 C3'-C2'-C1' 95.88 -6.245 . 0.138 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.808 1 O3'-P-O5' 111.981 4.2 . 0.01 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 1 N19-C1'-C2' 106.1 -4.562 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.666 3 C4'-C3'-C2' 96.672 -6.028 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 4 O5'-C5'-C4' 117.992 5.566 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.495 3 C5'-C4'-O4' 120.299 7.928 . 0.138 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.603 4 C1'-O4'-C4' 113.913 4.792 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.904 2 C4'-C3'-C2' 97.994 -4.706 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.907 1 C5'-C4'-O4' 115.772 4.694 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 3 O4'-C4'-C3' 98.146 -5.253 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.56 5 C3'-C2'-C1' 109.466 8.851 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 m -116.09 143.14 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 124.877 2.275 . . . . 0.0 113.915 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.526 HH21 ' P ' ' B' ' 24' ' ' ' C' 0.329 7.1 ptm85 -132.04 -175.78 3.85 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.68 2.792 . . . . 0.0 110.288 160.648 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.6 m -114.08 137.77 51.3 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 112.609 -3.567 . . . . 0.0 110.342 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -149.43 124.72 10.19 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 126.558 3.075 . . . . 0.0 107.742 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.267 79.4 mttt 58.44 26.67 14.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 112.342 -2.208 . . . . 0.0 112.331 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.09 5.48 73.13 Favored Glycine 0 CA--C 1.524 0.619 0 O-C-N 117.672 -3.143 . . . . 0.0 115.403 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.281 22.5 ptt180 -120.55 153.19 37.09 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 122.216 3.008 . . . . 0.0 110.994 165.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -74.63 130.55 39.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 124.132 0.895 . . . . 0.0 112.514 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -120.41 154.91 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 128.255 2.622 . . . . 0.0 114.867 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -80.54 141.22 35.33 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.805 170.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 pt -128.42 73.9 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 168.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo . . . . . 0 N--CA 1.455 -0.741 0 C-N-CA 122.837 2.358 . . . . 0.0 115.694 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 99.556 -3.144 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 3 C5'-C4'-O4' 119.08 7.057 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.677 4 C1'-O4'-C4' 119.48 10.978 . 0.384 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.659 1 O4'-C1'-N19 102.211 -5.989 . 0.364 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 2 C5'-C4'-O4' 120.255 7.896 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.84 3 C4'-C3'-C2' 91.336 -11.364 . 0.374 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.709 2 C3'-C2'-C1' 106.24 5.267 . 0.369 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.526 ' P ' HH21 ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.283 3 C1'-O4'-C4' 104.492 -5.676 . 0.291 3d . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 2 O4'-C1'-N19 118.322 10.122 . 0.271 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.899 2 C5'-C4'-C3' 125.143 6.429 . 0.214 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.022 3 O4'-C1'-N19 118.214 10.014 . 0.277 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 0.427 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.075 2 C5'-C4'-C3' 106.83 -5.78 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.427 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.963 2 O4'-C1'-N19 114.513 6.313 . 0.188 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 5 C3'-C2'-C1' 96.571 -5.476 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.763 2 C1'-O4'-C4' 102.897 -7.448 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 5 C1'-O4'-C4' 114.303 5.226 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.852 2 O4'-C1'-N19 123.067 14.867 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 2 C5'-C4'-O4' 101.467 -5.524 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.32 5 C1'-O4'-C4' 103.811 -6.432 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 1 C4'-C3'-C2' 97.166 -5.534 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 2 O4'-C1'-N19 116.735 8.535 . 0.484 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 2 O4'-C1'-N19 114.413 6.213 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.817 3 O4'-C1'-N19 115.573 7.373 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 2 O4'-C1'-N19 115.374 7.174 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . 0.44 " H2'" ' C6 ' ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.298 2 O4'-C1'-N19 118.102 9.902 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . 0.44 ' C6 ' " H2'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.486 2 O4'-C1'-N19 113.951 5.751 . 0.923 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.894 4 C4'-C3'-C2' 95.619 -7.081 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . 0.409 HO2' " H5'" ' B' ' 45' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.373 3 O4'-C1'-N19 118.75 10.55 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . 0.409 " H5'" HO2' ' B' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.409 -3.653 4 O5'-C5'-C4' 117.998 5.57 . 0.316 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 m -137.78 160.72 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.016 2.126 . . . . 0.0 109.664 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -140.79 149.21 41.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.809 2.242 . . . . 0.0 111.169 162.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -80.1 135.38 36.31 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 123.471 1.605 . . . . 0.0 107.95 157.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -156.94 130.38 8.03 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 118.521 -2.612 . . . . 0.0 109.275 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 48.21 48.61 18.51 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.616 2.767 . . . . 0.0 110.842 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.25 4.48 64.0 Favored Glycine 0 CA--C 1.522 0.525 0 CA-C-O 117.185 -1.897 . . . . 0.0 114.501 177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -124.88 158.7 32.85 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 122.859 3.33 . . . . 0.0 111.762 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -90.46 144.62 25.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 117.832 -3.043 . . . . 0.0 110.293 164.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.95 140.41 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 127.889 2.476 . . . . 0.0 110.913 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -90.44 128.48 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 116.54 -1.695 . . . . 0.0 109.339 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.427 13.0 pt -125.08 77.37 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.378 1 O-C-N 130.956 5.16 . . . . 0.0 115.229 178.862 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo . . . . . 0 N--CA 1.446 -1.309 0 N-CA-C 119.945 3.017 . . . . 0.0 119.945 168.602 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.631 2 C1'-O4'-C4' 114.631 5.59 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.982 2 C5'-C4'-O4' 115.617 4.584 . 0.064 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.054 4 C4'-C3'-C2' 94.207 -8.493 . 0.766 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.596 2 O4'-C1'-N19 115.681 7.481 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 2 C5'-C4'-O4' 116.052 4.894 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.905 3 C5'-C4'-O4' 118.567 6.69 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 O4'-C1'-N19 114.793 6.593 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.426 HO2' ' P ' ' B' ' 25' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.092 4 O4'-C1'-N19 114.611 6.411 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . 0.426 ' P ' HO2' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.017 2 C5'-C4'-C3' 104.571 -7.286 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 4 O4'-C1'-N19 101.073 -7.127 . 0.027 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 3 C4'-C3'-C2' 95.088 -7.612 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 2 C5'-C4'-O4' 118.571 6.694 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.23 0 C1'-O4'-C4' 112.92 3.689 . 0.427 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.78 2 O4'-C1'-N19 117.583 9.383 . 0.107 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.731 2 C5'-C4'-O4' 119.044 7.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 5 O4'-C1'-N19 116.274 8.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.463 3 O4'-C1'-N19 117.141 8.941 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 0 C3'-C2'-C1' 98.676 -3.137 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 4 O4'-C1'-N19 116.26 8.06 . 0.282 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.052 2 O4'-C1'-N19 115.039 6.839 . 0.051 9a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 4 C5'-C4'-C3' 104.434 -7.377 . 0.345 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 116.885 8.685 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.354 0 C5'-C4'-C3' 121.385 3.924 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.552 3 C4'-C3'-C2' 95.481 -7.219 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 5 O5'-C5'-C4' 100.893 -6.648 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.656 1 O4'-C1'-N19 113.732 5.532 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.623 2 C3'-C2'-C1' 97.044 -4.952 . 0.303 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 1 O4'-C1'-N19 115.932 7.732 . 0.195 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.786 0 N19-C1'-C2' 118.591 3.244 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 mtm-85 . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.309 6.7 m -123.76 156.15 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 128.817 3.823 . . . . 0.0 114.672 -176.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -149.98 162.52 40.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.606 1.962 . . . . 0.0 108.851 171.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.0 m -105.96 125.51 51.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.966 -1.969 . . . . 0.0 107.085 171.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.312 47.4 mtp180 -130.31 121.8 26.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 128.788 2.835 . . . . 0.0 118.423 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? 48.38 39.78 13.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 127.618 2.367 . . . . 0.0 115.776 -164.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.67 -13.68 54.96 Favored Glycine 0 C--N 1.343 0.936 1 C-N-CA 131.677 4.465 . . . . 0.0 112.681 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -102.19 156.3 17.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 117.762 -3.199 . . . . 0.0 110.451 -167.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -94.18 124.46 38.21 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.429 2.3 pp -130.3 144.34 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 1 C-N-CA 134.2 5.0 . . . . 0.0 111.664 -168.253 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.06 138.66 32.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 129.701 3.2 . . . . 0.0 107.406 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.88 70.35 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 115.235 -2.317 . . . . 0.0 110.385 167.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo . . . . . 0 N--CA 1.446 -1.297 0 CA-C-N 125.027 2.831 . . . . 0.0 113.563 -170.229 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.975 3 C2'-C3'-O3' 126.649 5.589 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 C5'-C4'-O4' 115.865 4.761 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.764 2 C5'-C4'-O4' 119.044 7.032 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O5'-C5'-C4' 114.882 3.344 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 1 C3'-C2'-C1' 105.196 4.107 . 0.063 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.58 0 C3'-C2'-C1' 104.444 3.272 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.896 4 C3'-C2'-C1' 108.758 8.065 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 2 O4'-C1'-N19 119.062 10.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 4 C5'-C4'-O4' 122.038 9.17 . 0.054 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 2 O4'-C1'-N19 115.09 6.89 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.09 3 C1'-O4'-C4' 102.345 -8.061 . 0.744 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.318 1 C5'-C4'-O4' 115.716 4.654 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.647 6 C4'-C3'-C2' 92.626 -10.074 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 2 C5'-C4'-C3' 109.206 -4.196 . 0.244 5r . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.892 3 O4'-C1'-N19 114.901 6.701 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 C5'-C4'-C3' 108.446 -4.702 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 3 C3'-C2'-C1' 106.878 5.975 . 0.222 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.861 2 O4'-C1'-N19 119.211 11.011 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 1 C1'-O4'-C4' 113.541 4.379 . 0.201 4d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 3 P-O3'-C3' 125.308 4.673 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.079 4 P-O3'-C3' 128.945 7.704 . 0.356 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.71 0 O5'-C5'-C4' 104.648 -3.966 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.718 3 C4'-C3'-C2' 97.049 -5.651 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.683 4 O4'-C1'-N19 117.548 9.348 . 0.128 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.849 1 O4'-C1'-N19 115.029 6.829 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 2 C3'-C2'-C1' 107.05 6.166 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.564 1 O4'-C1'-N19 114.602 6.402 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.056 2 C4'-C3'-C2' 97.623 -5.077 . 0.765 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 1 C5'-C4'-O4' 116.068 4.906 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.31 142.34 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 O-C-N 117.613 -3.179 . . . . 0.0 111.326 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -128.92 141.57 51.23 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.1 m -69.11 131.21 44.62 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.227 1.489 . . . . 0.0 113.128 166.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -156.33 130.18 8.45 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.725 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 56.83 46.06 20.48 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.696 2.498 . . . . 0.0 109.981 171.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 29.55 73.11 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 130.696 3.998 . . . . 0.0 117.304 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -152.46 159.85 43.31 Favored 'General case' 0 N--CA 1.449 -0.476 1 O-C-N 116.193 -4.122 . . . . 0.0 105.236 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -81.26 152.39 27.64 Favored 'General case' 0 N--CA 1.452 -0.331 1 O-C-N 115.132 -4.73 . . . . 0.0 113.049 160.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -153.92 141.07 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 O-C-N 127.208 2.817 . . . . 0.0 111.172 -173.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -70.26 136.33 49.79 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 128.259 2.624 . . . . 0.0 114.685 -171.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.302 33.8 pt -122.38 78.07 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 128.772 2.829 . . . . 0.0 110.98 163.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -1.532 0 CA-C-O 113.23 -2.904 . . . . 0.0 114.991 169.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.625 0 C5'-C4'-O4' 114.712 3.937 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.41 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.156 6 O4'-C1'-N19 115.684 7.484 . 0.473 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.41 ' C6 ' " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.218 5 O4'-C1'-N19 114.578 6.378 . 0.639 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.707 2 N19-C1'-C2' 103.827 -5.983 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 3 O4'-C1'-N19 114.493 6.293 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 1 C4'-C3'-C2' 96.743 -5.957 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.749 2 O5'-C5'-C4' 117.223 5.016 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.128 3 N19-C1'-C2' 100.61 -7.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 3 C4'-C3'-C2' 94.196 -8.504 . 0.178 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.592 3 C5'-C4'-O4' 119.677 7.484 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.726 4 O5'-C5'-C4' 121.411 8.008 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.836 2 O4'-C1'-N19 118.212 10.012 . 0.191 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 3 C5'-C4'-O4' 117.977 6.269 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.964 3 C3'-C2'-C1' 97.238 -4.736 . 0.224 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.724 2 O4'-C1'-N19 116.864 8.664 . 0.023 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.594 2 C3'-C2'-C1' 94.7 -7.556 . 0.091 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.565 4 O4'-C1'-N19 113.919 5.719 . 0.232 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 4 O4'-C1'-C2' 114.255 5.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.188 2 C1'-O4'-C4' 114.807 5.786 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 0 C5'-C4'-C3' 110.902 -3.066 . 0.359 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 2 C4'-C3'-C2' 95.112 -7.588 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.492 HO2' " H5'" ' B' ' 39' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.407 -3.865 1 N19-C1'-C2' 104.985 -5.26 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . 0.492 " H5'" HO2' ' B' ' 38' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.082 2 C5'-C4'-C3' 104.549 -7.301 . 0.67 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.723 2 C4'-C3'-C2' 96.044 -6.656 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.618 5 O4'-C1'-N19 114.28 6.08 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.674 1 C5'-C4'-O4' 116.201 5.0 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.844 2 O4'-C1'-N19 116.653 8.453 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 1 O5'-C5'-C4' 118.066 5.619 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.532 0 C5'-C4'-C3' 110.576 -3.283 . 0.333 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 13' ' ' DPR . 76.7 mtt85 . . . . . 0 N--CA 1.442 -0.854 0 CA-C-O 123.958 1.837 . . . . 0.0 115.946 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.9 t -143.3 120.63 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 118.551 -2.593 . . . . 0.0 107.95 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -158.29 171.3 20.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 121.295 1.862 . . . . 0.0 114.688 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m -86.28 137.63 32.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.258 165.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -158.16 112.13 2.51 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 120.236 1.38 . . . . 0.0 109.722 -173.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 45.37 72.51 0.21 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 124.885 2.279 . . . . 0.0 113.899 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.96 -19.85 2.02 Favored Glycine 0 C--N 1.341 0.854 0 O-C-N 119.475 -2.016 . . . . 0.0 117.784 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -134.08 171.7 13.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 116.416 -3.991 . . . . 0.0 117.41 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -87.77 134.43 33.68 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 129.809 3.243 . . . . 0.0 107.759 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 pt -130.0 152.33 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 129.259 3.024 . . . . 0.0 109.053 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -122.99 113.89 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 125.158 1.383 . . . . 0.0 110.075 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt -133.4 84.75 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 130.682 3.593 . . . . 0.0 113.707 -168.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . 0.472 ' C ' ' H ' ' A' ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.457 -0.653 0 C-N-CA 124.656 3.571 . . . . 0.0 114.25 170.369 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.71 2 O5'-C5'-C4' 118.392 5.852 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 2 C5'-C4'-O4' 115.756 4.683 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.648 2 P-O3'-C3' 125.042 4.451 . 0.019 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.506 1 C4'-C3'-C2' 96.281 -6.419 . 0.336 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.706 4 C5'-C4'-O4' 116.153 4.966 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 C5'-C4'-O4' 115.944 4.817 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.798 7 O4'-C1'-N19 116.892 8.692 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.874 0 C3'-C2'-O2' 107.55 -1.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.9 4 C4'-C3'-C2' 96.997 -5.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.783 0 C5'-C4'-C3' 120.566 3.377 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 2 N19-C1'-C2' 102.478 -6.826 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 2 C5'-C4'-O4' 119.629 7.449 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 4 C5'-C4'-C3' 122.827 4.885 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 4 C4'-C3'-C2' 97.449 -5.251 . 0.077 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 3 C3'-C2'-C1' 108.074 7.304 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . 0.41 HO2' " C5'" ' B' ' 33' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.545 2 O4'-C1'-N19 115.014 6.814 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . 0.41 " C5'" HO2' ' B' ' 32' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.997 2 C4'-C3'-C2' 108.787 6.087 . 0.195 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.483 2 O4'-C1'-N19 114.903 6.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 C3'-C2'-C1' 96.642 -5.397 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.882 2 C5'-C4'-O4' 117.265 5.76 . 0.1 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.355 2 P-O3'-C3' 125.855 5.129 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 5 C4'-C3'-C2' 95.719 -6.981 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.104 3 O4'-C1'-N19 113.698 5.498 . 0.215 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.424 3 C4'-C3'-C2' 97.531 -5.169 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.452 0 P-O3'-C3' 123.995 3.579 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.624 3 N19-C1'-C2' 104.969 -5.269 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.597 3 O5'-C5'-C4' 120.013 7.009 . 0.051 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.714 2 C4'-C3'-C2' 97.549 -5.151 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.152 4 C5'-C4'-O4' 118.596 6.711 . 0.78 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.69 163.3 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 127.551 2.341 . . . . 0.0 113.172 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -160.75 141.62 11.69 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.1 130.72 35.5 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.797 -1.814 . . . . 0.0 108.972 168.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -150.44 129.11 12.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.567 1.547 . . . . 0.0 108.479 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.424 87.5 mttt 62.39 28.38 16.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 168.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.44 -14.77 63.88 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 115.592 -2.782 . . . . 0.0 116.541 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.68 161.28 35.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 120.43 2.115 . . . . 0.0 116.301 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -76.27 133.82 39.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 120.295 1.407 . . . . 0.0 114.747 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.4 tt -122.9 143.53 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.041 1.736 . . . . 0.0 109.849 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.435 34.1 ttm-85 -82.27 143.58 31.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 167.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 pt -137.36 72.5 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 111.667 -2.515 . . . . 0.0 113.998 -172.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo . . . . . 0 N--CA 1.458 -0.596 0 N-CA-C 120.822 3.354 . . . . 0.0 120.822 179.003 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.316 3 O5'-C5'-C4' 118.889 6.207 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.509 1 C4'-C3'-C2' 97.88 -4.82 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 1 C5'-C4'-O4' 119.048 7.034 . 0.298 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 3 O4'-C1'-N19 118.747 10.547 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.316 1 N19-C1'-C2' 106.788 -4.133 . 0.659 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 3 O4'-C1'-N19 114.44 6.24 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.664 3 O4'-C1'-N19 117.097 8.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 2 P-O3'-C3' 127.181 6.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.585 0 O3'-P-O5' 111.179 3.778 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.993 1 C5'-C4'-C3' 106.506 -5.996 . 0.0 OUTLIER '7D dist 3d' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.765 1 O4'-C1'-N19 114.726 6.526 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . 0.465 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.41 -3.586 1 N19-C1'-C2' 105.735 -4.791 . 0.175 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.465 ' C6 ' " H2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.345 3 O4'-C1'-N19 117.488 9.288 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.566 4 O4'-C1'-N19 117.627 9.427 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.301 1 C5'-C4'-C3' 107.532 -5.312 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 4 O4'-C1'-N19 115.606 7.406 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 2 C1'-O4'-C4' 102.952 -7.387 . 0.036 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.789 1 O4'-C1'-N19 112.327 4.127 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 3 O4'-C1'-N19 113.836 5.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.717 3 C5'-C4'-O4' 119.163 7.116 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.616 5 O4'-C1'-N19 116.499 8.299 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.756 5 O4'-C1'-N19 120.08 11.88 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 2 O4'-C1'-N19 115.103 6.903 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 4 C3'-C2'-C1' 107.607 6.786 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.357 1 P-O3'-C3' 124.516 4.014 . 0.532 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.388 4 O4'-C1'-N19 114.084 5.884 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.509 6 C4'-C3'-C2' 95.379 -7.321 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.514 3 O4'-C1'-N19 117.461 9.261 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.549 3 O4'-C4'-C3' 98.001 -5.356 . 0.147 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -82.42 153.75 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 116.993 -3.567 . . . . 0.0 110.302 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -144.16 170.22 16.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 123.369 1.557 . . . . 0.0 108.558 165.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.427 HG23 ' C6 ' ' B' ' 24' ' ' ' C' . 24.5 m -111.56 133.26 53.95 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 117.088 -3.507 . . . . 0.0 112.736 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -126.31 119.27 26.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 111.512 -2.585 . . . . 0.0 109.7 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt 26.7 73.57 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 -171.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.07 -11.69 0.47 Allowed Glycine 0 C--N 1.339 0.735 0 N-CA-C 116.158 1.223 . . . . 0.0 116.158 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -99.92 132.71 45.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.047 -1.266 . . . . 0.0 112.527 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -91.64 130.07 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 125.323 2.487 . . . . 0.0 105.841 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.6 149.57 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 108.695 -3.866 . . . . 0.0 108.995 -172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -118.98 107.09 13.11 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 35.5 mm -122.25 93.18 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 126.449 1.899 . . . . 0.0 112.939 -158.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo . . . . . 0 N--CA 1.449 -1.128 0 C-N-CA 124.49 3.46 . . . . 0.0 120.251 179.306 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.587 1 C4'-C3'-C2' 95.985 -6.715 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 2 C5'-C4'-C3' 107.043 -5.638 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.515 " H2'" " O4'" ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.674 4 O4'-C4'-C3' 98.355 -5.103 . 0.494 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . 0.515 " O4'" " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.069 2 C4'-C3'-C2' 96.075 -6.625 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . 0.487 HO2' " H5'" ' B' ' 22' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.224 5 C3'-C2'-C1' 107.742 6.936 . 0.661 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . 0.487 " H5'" HO2' ' B' ' 21' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.542 2 O3'-P-O5' 94.543 -4.978 . 0.529 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.606 4 O4'-C1'-N19 118.197 9.997 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.427 ' C6 ' HG23 ' A' ' 4' ' ' THR . . . . . . . . 1 O4'--C4' 1.405 -4.007 4 C4'-C3'-C2' 93.414 -9.286 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 O4'-C1'-N19 112.098 3.898 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.38 1 O5'-C5'-C4' 121.35 7.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.035 1 O3'-P-O5' 112.069 4.247 . 0.369 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.383 2 C5'-C4'-O4' 118.935 6.954 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 3 C5'-C4'-C3' 108.446 -4.702 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.235 2 N19-C1'-C2' 120.674 4.546 . 0.171 5r . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.886 5 O4'-C1'-N19 115.542 7.342 . 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.448 2 O4'-C1'-N19 116.255 8.055 . 0.035 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.725 2 O5'-C5'-C4' 118.43 5.879 . 0.142 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.239 3 O3'-P-O5' 114.349 5.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 6 O5'-C5'-C4' 121.736 8.24 . 0.42 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.488 5 C5'-C4'-O4' 118.617 6.726 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 4 O4'-C1'-N19 115.607 7.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.85 1 O4'-C1'-N19 113.513 5.313 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 C4'-C3'-O3' 122.445 4.556 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.75 1 C3'-C2'-C1' 97.502 -4.442 . 0.278 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.602 3 O4'-C1'-N19 114.366 6.166 . 0.02 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 1 C5'-C4'-C3' 108.413 -4.725 . 0.335 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 1 O4'-C1'-N19 114.454 6.254 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 3 C5'-C4'-O4' 119.611 7.436 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.612 2 O4'-C1'-N19 114.189 5.989 . 0.209 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 13' ' ' DPR . 45.4 mtt85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.079 -0.962 . . . . 0.0 113.173 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 t -144.35 140.17 24.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 120.274 1.397 . . . . 0.0 112.517 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -142.71 158.18 43.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 146.74 32.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 115.784 -2.055 . . . . 0.0 109.886 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -158.08 138.76 12.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 127.97 2.508 . . . . 0.0 109.326 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 52.74 22.64 2.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 126.782 2.033 . . . . 0.0 112.534 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.37 11.94 63.75 Favored Glycine 0 N--CA 1.444 -0.779 0 O-C-N 124.312 1.008 . . . . 0.0 114.86 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -129.53 159.19 37.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 118.844 1.322 . . . . 0.0 113.695 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -85.56 124.37 32.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 116.647 -3.783 . . . . 0.0 120.756 169.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -110.87 149.2 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -67.51 141.22 56.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 128.283 2.633 . . . . 0.0 107.914 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 pt -135.65 85.94 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-O 125.164 2.411 . . . . 0.0 108.411 165.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' DPR . . . . . 0.4 ' C ' ' H ' ' A' ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 N--CA 1.455 -0.788 1 C-N-CA 125.312 4.008 . . . . 0.0 112.792 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.39 0 N19-C1'-C2' 119.778 3.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.971 2 P-O5'-C5' 127.733 4.271 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.533 5 O4'-C1'-N19 115.136 6.936 . 0.036 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.691 1 O5'-C5'-C4' 116.465 4.475 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.241 2 C5'-C4'-O4' 123.576 10.269 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.453 3 C3'-C2'-C1' 94.526 -7.749 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.31 4 O4'-C1'-N19 117.649 9.449 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.563 4 O4'-C1'-N19 117.977 9.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.446 1 C5'-C4'-O4' 117.188 5.706 . 0.335 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.673 1 O4'-C1'-N19 112.827 4.627 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.119 3 C1'-O4'-C4' 102.113 -8.319 . 0.645 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.581 1 C1'-O4'-C4' 105.475 -4.584 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.224 3 C4'-C3'-C2' 98.229 -4.471 . 0.54 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 113.373 5.173 . 0.015 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.776 4 C1'-O4'-C4' 102.43 -7.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.74 2 C5'-C4'-C3' 106.663 -5.891 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 2 C4'-C3'-C2' 98.206 -4.494 . 0.02 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 1 O4'-C1'-N19 113.032 4.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.93 4 P-O3'-C3' 126.846 5.955 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.089 1 C4'-C3'-C2' 97.562 -5.138 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 3 C4'-C3'-C2' 96.784 -5.916 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 4 O4'-C1'-N19 115.345 7.145 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 3 C5'-C4'-O4' 117.132 5.666 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 2 O4'-C1'-N19 116.167 7.967 . 0.223 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 3 C1'-O4'-C4' 113.408 4.231 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.763 0 C5'-C4'-C3' 110.32 -3.453 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.699 2 C3'-C2'-C1' 95.012 -7.208 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 0 O4'-C4'-C3' 100.028 -3.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 C3'-C2'-C1' 104.74 3.6 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 125.947 2.784 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -133.27 140.19 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.815 -163.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -138.22 143.14 40.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 126.487 3.042 . . . . 0.0 111.646 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 p -91.82 127.67 37.37 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.096 -1.865 . . . . 0.0 107.603 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -141.45 113.2 7.76 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 118.86 -2.4 . . . . 0.0 106.745 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 54.08 47.43 23.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 156.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.13 -7.4 32.79 Favored Glycine 0 C--O 1.224 -0.515 0 C-N-CA 129.864 3.602 . . . . 0.0 114.444 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -150.5 151.56 32.87 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.747 2.773 . . . . 0.0 117.059 -169.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -82.46 136.72 34.85 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 126.323 2.963 . . . . 0.0 106.731 168.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.332 12.1 pt -113.81 154.16 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.792 3.237 . . . . 0.0 110.443 165.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -116.69 142.11 47.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 122.868 1.318 . . . . 0.0 108.444 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.448 -0.562 0 C-N-CA 127.002 2.121 . . . . 0.0 106.095 -178.582 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -132.42 149.8 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.804 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -142.32 150.33 40.66 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -74.94 145.59 42.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 158.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -151.12 134.48 16.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.089 -1.868 . . . . 0.0 106.56 164.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.287 31.7 tttt 45.5 49.45 10.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.366 1.466 . . . . 0.0 111.986 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.6 -1.01 5.96 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 121.828 3.491 . . . . 0.0 121.828 -174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -119.53 167.71 11.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -114.0 145.95 40.83 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 118.254 -2.779 . . . . 0.0 115.172 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -159.54 139.15 3.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 126.015 1.726 . . . . 0.0 111.896 -165.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -80.22 147.42 31.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 126.92 3.247 . . . . 0.0 110.037 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 pt . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 130.005 3.322 . . . . 0.0 116.599 163.056 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 m -116.09 143.14 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 124.877 2.275 . . . . 0.0 113.915 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.329 7.1 ptm85 -132.04 -175.78 3.85 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.68 2.792 . . . . 0.0 110.288 160.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.6 m -114.08 137.77 51.3 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 112.609 -3.567 . . . . 0.0 110.342 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -149.43 124.72 10.19 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 126.558 3.075 . . . . 0.0 107.742 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.267 79.4 mttt 58.44 26.67 14.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 112.342 -2.208 . . . . 0.0 112.331 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.09 5.48 73.13 Favored Glycine 0 CA--C 1.524 0.619 0 O-C-N 117.672 -3.143 . . . . 0.0 115.403 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.281 22.5 ptt180 -120.55 153.19 37.09 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 122.216 3.008 . . . . 0.0 110.994 165.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -74.63 130.55 39.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 124.132 0.895 . . . . 0.0 112.514 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -120.41 154.91 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 128.255 2.622 . . . . 0.0 114.867 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -80.54 141.22 35.33 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.805 170.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 CA--C 1.512 -0.51 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 168.594 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 m -137.78 160.72 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.016 2.126 . . . . 0.0 109.664 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -140.79 149.21 41.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.809 2.242 . . . . 0.0 111.169 162.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -80.1 135.38 36.31 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 123.471 1.605 . . . . 0.0 107.95 157.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -156.94 130.38 8.03 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 118.521 -2.612 . . . . 0.0 109.275 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 48.21 48.61 18.51 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.616 2.767 . . . . 0.0 110.842 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.25 4.48 64.0 Favored Glycine 0 CA--C 1.522 0.525 0 CA-C-O 117.185 -1.897 . . . . 0.0 114.501 177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -124.88 158.7 32.85 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 122.859 3.33 . . . . 0.0 111.762 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -90.46 144.62 25.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 117.832 -3.043 . . . . 0.0 110.293 164.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.95 140.41 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 127.889 2.476 . . . . 0.0 110.913 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -90.44 128.48 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 116.54 -1.695 . . . . 0.0 109.339 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.427 13.0 pt . . . . . 0 CA--C 1.515 -0.378 1 O-C-N 130.956 5.16 . . . . 0.0 115.229 178.862 . . . . . . . . 2 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 mtm-85 . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.309 6.7 m -123.76 156.15 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 128.817 3.823 . . . . 0.0 114.672 -176.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -149.98 162.52 40.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.606 1.962 . . . . 0.0 108.851 171.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.0 m -105.96 125.51 51.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.966 -1.969 . . . . 0.0 107.085 171.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.312 47.4 mtp180 -130.31 121.8 26.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 128.788 2.835 . . . . 0.0 118.423 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? 48.38 39.78 13.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 127.618 2.367 . . . . 0.0 115.776 -164.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.67 -13.68 54.96 Favored Glycine 0 C--N 1.343 0.936 1 C-N-CA 131.677 4.465 . . . . 0.0 112.681 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -102.19 156.3 17.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 117.762 -3.199 . . . . 0.0 110.451 -167.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -94.18 124.46 38.21 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.429 2.3 pp -130.3 144.34 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 1 C-N-CA 134.2 5.0 . . . . 0.0 111.664 -168.253 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.06 138.66 32.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 129.701 3.2 . . . . 0.0 107.406 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 115.235 -2.317 . . . . 0.0 110.385 167.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.31 142.34 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 O-C-N 117.613 -3.179 . . . . 0.0 111.326 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -128.92 141.57 51.23 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.1 m -69.11 131.21 44.62 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.227 1.489 . . . . 0.0 113.128 166.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -156.33 130.18 8.45 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.725 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 56.83 46.06 20.48 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.696 2.498 . . . . 0.0 109.981 171.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 29.55 73.11 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 130.696 3.998 . . . . 0.0 117.304 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -152.46 159.85 43.31 Favored 'General case' 0 N--CA 1.449 -0.476 1 O-C-N 116.193 -4.122 . . . . 0.0 105.236 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -81.26 152.39 27.64 Favored 'General case' 0 N--CA 1.452 -0.331 1 O-C-N 115.132 -4.73 . . . . 0.0 113.049 160.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -153.92 141.07 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 O-C-N 127.208 2.817 . . . . 0.0 111.172 -173.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -70.26 136.33 49.79 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 128.259 2.624 . . . . 0.0 114.685 -171.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.302 33.8 pt . . . . . 0 N--CA 1.452 -0.35 0 C-N-CA 128.772 2.829 . . . . 0.0 110.98 163.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 . . . . . 0 N--CA 1.442 -0.854 0 CA-C-O 123.958 1.837 . . . . 0.0 115.946 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.9 t -143.3 120.63 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 118.551 -2.593 . . . . 0.0 107.95 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -158.29 171.3 20.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 121.295 1.862 . . . . 0.0 114.688 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m -86.28 137.63 32.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.258 165.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -158.16 112.13 2.51 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 120.236 1.38 . . . . 0.0 109.722 -173.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 45.37 72.51 0.21 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 124.885 2.279 . . . . 0.0 113.899 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.96 -19.85 2.02 Favored Glycine 0 C--N 1.341 0.854 0 O-C-N 119.475 -2.016 . . . . 0.0 117.784 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -134.08 171.7 13.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 116.416 -3.991 . . . . 0.0 117.41 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -87.77 134.43 33.68 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 129.809 3.243 . . . . 0.0 107.759 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 pt -130.0 152.33 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 129.259 3.024 . . . . 0.0 109.053 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -122.99 113.89 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 125.158 1.383 . . . . 0.0 110.075 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt . . . . . 0 N--CA 1.451 -0.395 0 C-N-CA 130.682 3.593 . . . . 0.0 113.707 -168.128 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.69 163.3 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 127.551 2.341 . . . . 0.0 113.172 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -160.75 141.62 11.69 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.1 130.72 35.5 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.797 -1.814 . . . . 0.0 108.972 168.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -150.44 129.11 12.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.567 1.547 . . . . 0.0 108.479 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.424 87.5 mttt 62.39 28.38 16.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 168.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.44 -14.77 63.88 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 115.592 -2.782 . . . . 0.0 116.541 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.68 161.28 35.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 120.43 2.115 . . . . 0.0 116.301 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -76.27 133.82 39.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 120.295 1.407 . . . . 0.0 114.747 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.4 tt -122.9 143.53 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.041 1.736 . . . . 0.0 109.849 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.435 34.1 ttm-85 -82.27 143.58 31.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 167.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 pt . . . . . 0 C--O 1.217 -0.629 0 CA-C-N 111.667 -2.515 . . . . 0.0 113.998 -172.365 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -82.42 153.75 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 116.993 -3.567 . . . . 0.0 110.302 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -144.16 170.22 16.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 123.369 1.557 . . . . 0.0 108.558 165.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m -111.56 133.26 53.95 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 117.088 -3.507 . . . . 0.0 112.736 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -126.31 119.27 26.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 111.512 -2.585 . . . . 0.0 109.7 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt 26.7 73.57 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 -171.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.07 -11.69 0.47 Allowed Glycine 0 C--N 1.339 0.735 0 N-CA-C 116.158 1.223 . . . . 0.0 116.158 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -99.92 132.71 45.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.047 -1.266 . . . . 0.0 112.527 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -91.64 130.07 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 125.323 2.487 . . . . 0.0 105.841 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.6 149.57 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 108.695 -3.866 . . . . 0.0 108.995 -172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -118.98 107.09 13.11 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 35.5 mm . . . . . 0 N--CA 1.451 -0.405 0 C-N-CA 126.449 1.899 . . . . 0.0 112.939 -158.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.079 -0.962 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 t -144.35 140.17 24.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 120.274 1.397 . . . . 0.0 112.517 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -142.71 158.18 43.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 146.74 32.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 115.784 -2.055 . . . . 0.0 109.886 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -158.08 138.76 12.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 127.97 2.508 . . . . 0.0 109.326 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 52.74 22.64 2.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 126.782 2.033 . . . . 0.0 112.534 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.37 11.94 63.75 Favored Glycine 0 N--CA 1.444 -0.779 0 O-C-N 124.312 1.008 . . . . 0.0 114.86 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -129.53 159.19 37.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 118.844 1.322 . . . . 0.0 113.695 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -85.56 124.37 32.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 116.647 -3.783 . . . . 0.0 120.756 169.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -110.87 149.2 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -67.51 141.22 56.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 128.283 2.633 . . . . 0.0 107.914 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 pt . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 125.164 2.411 . . . . 0.0 108.411 165.7 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 125.947 2.784 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -133.27 140.19 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.815 -163.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -138.22 143.14 40.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 126.487 3.042 . . . . 0.0 111.646 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 p -91.82 127.67 37.37 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.096 -1.865 . . . . 0.0 107.603 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -141.45 113.2 7.76 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 118.86 -2.4 . . . . 0.0 106.745 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 54.08 47.43 23.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 156.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.13 -7.4 32.79 Favored Glycine 0 C--O 1.224 -0.515 0 C-N-CA 129.864 3.602 . . . . 0.0 114.444 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -150.5 151.56 32.87 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.747 2.773 . . . . 0.0 117.059 -169.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -82.46 136.72 34.85 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 126.323 2.963 . . . . 0.0 106.731 168.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.332 12.1 pt -113.81 154.16 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.792 3.237 . . . . 0.0 110.443 165.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -116.69 142.11 47.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 122.868 1.318 . . . . 0.0 108.444 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mt -138.82 113.79 8.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 127.002 2.121 . . . . 0.0 106.095 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 13' ' ' DPR . 62.5 Cg_endo . . . . . 0 N--CA 1.448 -1.189 0 C-N-CA 124.448 3.432 . . . . 0.0 113.065 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.718 2 O4'-C1'-N19 120.618 12.418 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.935 1 O4'-C1'-N19 114.672 6.472 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.472 5 C3'-C2'-C1' 96.853 -5.164 . 0.247 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 2 C3'-C2'-C1' 105.366 4.295 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 1 C5'-C4'-O4' 118.234 6.453 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.741 2 O4'-C1'-N19 114.411 6.211 OUTLIER-DELTA 0.1 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . 0.407 " H4'" H5'' ' B' ' 26' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.265 6 C3'-C2'-C1' 108.154 7.393 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 4 P-O3'-C3' 128.791 7.576 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 1 O3'-P-O5' 95.574 -4.435 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.407 H5'' " H4'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.544 3 O4'-C1'-N19 114.435 6.235 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.787 3 C5'-C4'-O4' 117.935 6.239 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.949 0 C3'-C2'-C1' 105.001 3.89 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 3 O4'-C1'-N19 115.565 7.365 . 0.129 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 4 C4'-C3'-C2' 97.268 -5.432 . 0.186 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.082 1 O4'-C1'-N19 120.974 12.774 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 1 O4'-C1'-N19 117.295 9.095 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.016 2 O4'-C1'-N19 117.926 9.726 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.803 3 O4'-C1'-N19 100.007 -8.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 3 O4'-C1'-N19 117.356 9.156 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.526 1 O4'-C1'-N19 118.344 10.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.738 1 O5'-C5'-C4' 115.876 4.054 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 3 O4'-C1'-N19 114.149 5.949 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 3 O4'-C1'-N19 119.58 11.38 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.789 2 N19-C1'-C2' 104.536 -5.54 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.733 2 C4'-C3'-O3' 122.995 4.767 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.804 1 C4'-C3'-C2' 97.365 -5.335 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 C5'-C4'-C3' 108.62 -4.587 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.797 1 O4'-C1'-N19 115.475 7.275 . 0.346 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 2 C3'-C2'-C1' 105.684 4.649 . 0.166 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -132.42 149.8 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.804 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -142.32 150.33 40.66 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -74.94 145.59 42.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 158.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -151.12 134.48 16.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.089 -1.868 . . . . 0.0 106.56 164.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.287 31.7 tttt 45.5 49.45 10.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.366 1.466 . . . . 0.0 111.986 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.6 -1.01 5.96 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 121.828 3.491 . . . . 0.0 121.828 -174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -119.53 167.71 11.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -114.0 145.95 40.83 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 118.254 -2.779 . . . . 0.0 115.172 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -159.54 139.15 3.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 126.015 1.726 . . . . 0.0 111.896 -165.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -80.22 147.42 31.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 126.92 3.247 . . . . 0.0 110.037 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.21 94.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 130.005 3.322 . . . . 0.0 116.599 163.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo . . . . . 0 N--CA 1.445 -1.339 1 C-N-CA 127.227 5.284 . . . . 0.0 118.419 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 2 O4'-C1'-N19 114.059 5.859 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.124 3 C4'-C3'-C2' 106.895 4.195 . 0.12 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.834 5 C1'-O4'-C4' 115.634 6.704 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.175 4 O4'-C1'-N19 116.533 8.333 . 0.152 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 1 P-O3'-C3' 125.47 4.809 . 0.324 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 1 C1'-O4'-C4' 105.838 -4.18 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.631 3 C1'-O4'-C4' 113.656 4.506 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.707 2 O4'-C1'-N19 113.266 5.066 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.897 1 O4'-C1'-N19 103.312 -4.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . 0.458 ' N2 ' " H1'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.53 3 O4'-C1'-N19 118.7 10.5 . 0.044 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . 0.458 " H1'" ' N2 ' ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.83 1 O4'-C1'-N19 113.837 5.637 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.655 4 C5'-C4'-O4' 116.936 5.526 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.575 1 C4'-C3'-C2' 97.92 -4.78 . 0.222 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.671 0 C5'-C4'-C3' 110.142 -3.572 . 0.168 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.093 5 C1'-O4'-C4' 115.129 6.144 . 0.345 3b . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.007 1 O5'-C5'-C4' 117.367 5.119 . 0.476 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.53 1 O4'-C1'-N19 113.916 5.716 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 0 O4'-C1'-C2' 101.27 -3.664 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 4 C3'-C2'-C1' 95.88 -6.245 . 0.138 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.808 1 O3'-P-O5' 111.981 4.2 . 0.01 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 1 N19-C1'-C2' 106.1 -4.562 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.666 3 C4'-C3'-C2' 96.672 -6.028 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 4 O5'-C5'-C4' 117.992 5.566 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.495 3 C5'-C4'-O4' 120.299 7.928 . 0.138 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.603 4 C1'-O4'-C4' 113.913 4.792 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.904 2 C4'-C3'-C2' 97.994 -4.706 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.907 1 C5'-C4'-O4' 115.772 4.694 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 3 O4'-C4'-C3' 98.146 -5.253 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.56 5 C3'-C2'-C1' 109.466 8.851 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 m -116.09 143.14 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 124.877 2.275 . . . . 0.0 113.915 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.556 HH21 ' P ' ' B' ' 24' ' ' ' C' 0.329 7.1 ptm85 -132.04 -175.78 3.85 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.68 2.792 . . . . 0.0 110.288 160.648 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 ' O ' " H5'" ' B' ' 24' ' ' ' C' . 62.6 m -114.08 137.77 51.3 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 112.609 -3.567 . . . . 0.0 110.342 175.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -149.43 124.72 10.19 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 126.558 3.075 . . . . 0.0 107.742 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.267 79.4 mttt 58.44 26.67 14.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 112.342 -2.208 . . . . 0.0 112.331 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.09 5.48 73.13 Favored Glycine 0 CA--C 1.524 0.619 0 O-C-N 117.672 -3.143 . . . . 0.0 115.403 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.281 22.5 ptt180 -120.55 153.19 37.09 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 122.216 3.008 . . . . 0.0 110.994 165.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -74.63 130.55 39.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 124.132 0.895 . . . . 0.0 112.514 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -120.41 154.91 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 128.255 2.622 . . . . 0.0 114.867 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -80.54 141.22 35.33 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.805 170.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 pt -128.42 73.9 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 168.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo . . . . . 0 N--CA 1.455 -0.741 0 C-N-CA 122.837 2.358 . . . . 0.0 115.694 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 99.556 -3.144 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 3 C5'-C4'-O4' 119.08 7.057 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.677 4 C1'-O4'-C4' 119.48 10.978 . 0.384 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.659 1 O4'-C1'-N19 102.211 -5.989 . 0.364 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 2 C5'-C4'-O4' 120.255 7.896 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.84 3 C4'-C3'-C2' 91.336 -11.364 . 0.374 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.709 2 C3'-C2'-C1' 106.24 5.267 . 0.369 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.556 ' P ' HH21 ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.283 3 C1'-O4'-C4' 104.492 -5.676 . 0.291 3d . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 2 O4'-C1'-N19 118.322 10.122 . 0.271 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.899 2 C5'-C4'-C3' 125.143 6.429 . 0.214 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.022 3 O4'-C1'-N19 118.214 10.014 . 0.277 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.427 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.075 2 C5'-C4'-C3' 106.83 -5.78 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.427 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.963 2 O4'-C1'-N19 114.513 6.313 . 0.188 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 5 C3'-C2'-C1' 96.571 -5.476 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.763 2 C1'-O4'-C4' 102.897 -7.448 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 5 C1'-O4'-C4' 114.303 5.226 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.852 2 O4'-C1'-N19 123.067 14.867 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 2 C5'-C4'-O4' 101.467 -5.524 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.32 5 C1'-O4'-C4' 103.811 -6.432 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 1 C4'-C3'-C2' 97.166 -5.534 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 2 O4'-C1'-N19 116.735 8.535 . 0.484 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 2 O4'-C1'-N19 114.413 6.213 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.817 3 O4'-C1'-N19 115.573 7.373 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 2 O4'-C1'-N19 115.374 7.174 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . 0.436 " H2'" ' C6 ' ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.298 2 O4'-C1'-N19 118.102 9.902 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.486 2 O4'-C1'-N19 113.951 5.751 . 0.923 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.894 4 C4'-C3'-C2' 95.619 -7.081 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 3 O4'-C1'-N19 118.75 10.55 . 0.248 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.653 4 O5'-C5'-C4' 117.998 5.57 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 m -137.78 160.72 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.016 2.126 . . . . 0.0 109.664 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -140.79 149.21 41.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.809 2.242 . . . . 0.0 111.169 162.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -80.1 135.38 36.31 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 123.471 1.605 . . . . 0.0 107.95 157.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -156.94 130.38 8.03 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 118.521 -2.612 . . . . 0.0 109.275 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 48.21 48.61 18.51 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.616 2.767 . . . . 0.0 110.842 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.25 4.48 64.0 Favored Glycine 0 CA--C 1.522 0.525 0 CA-C-O 117.185 -1.897 . . . . 0.0 114.501 177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -124.88 158.7 32.85 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 122.859 3.33 . . . . 0.0 111.762 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -90.46 144.62 25.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 117.832 -3.043 . . . . 0.0 110.293 164.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.95 140.41 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 127.889 2.476 . . . . 0.0 110.913 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -90.44 128.48 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 116.54 -1.695 . . . . 0.0 109.339 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.427 13.0 pt -125.08 77.37 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.378 1 O-C-N 130.956 5.16 . . . . 0.0 115.229 178.862 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo . . . . . 0 N--CA 1.446 -1.309 0 N-CA-C 119.945 3.017 . . . . 0.0 119.945 168.602 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.631 2 C1'-O4'-C4' 114.631 5.59 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.982 2 C5'-C4'-O4' 115.617 4.584 . 0.064 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.054 4 C4'-C3'-C2' 94.207 -8.493 . 0.766 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.596 2 O4'-C1'-N19 115.681 7.481 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 2 C5'-C4'-O4' 116.052 4.894 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.905 3 C5'-C4'-O4' 118.567 6.69 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 O4'-C1'-N19 114.793 6.593 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.092 4 O4'-C1'-N19 114.611 6.411 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 2 C5'-C4'-C3' 104.571 -7.286 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 4 O4'-C1'-N19 101.073 -7.127 . 0.027 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 3 C4'-C3'-C2' 95.088 -7.612 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 2 C5'-C4'-O4' 118.571 6.694 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.23 0 C1'-O4'-C4' 112.92 3.689 . 0.427 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.78 2 O4'-C1'-N19 117.583 9.383 . 0.107 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.731 2 C5'-C4'-O4' 119.044 7.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 5 O4'-C1'-N19 116.274 8.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.463 3 O4'-C1'-N19 117.141 8.941 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 0 C3'-C2'-C1' 98.676 -3.137 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 4 O4'-C1'-N19 116.26 8.06 . 0.282 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.052 2 O4'-C1'-N19 115.039 6.839 . 0.051 9a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 4 C5'-C4'-C3' 104.434 -7.377 . 0.345 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 116.885 8.685 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.354 0 C5'-C4'-C3' 121.385 3.924 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.552 3 C4'-C3'-C2' 95.481 -7.219 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 5 O5'-C5'-C4' 100.893 -6.648 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.656 1 O4'-C1'-N19 113.732 5.532 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.623 2 C3'-C2'-C1' 97.044 -4.952 . 0.303 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 1 O4'-C1'-N19 115.932 7.732 . 0.195 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.786 0 N19-C1'-C2' 118.591 3.244 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 mtm-85 . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.309 6.7 m -123.76 156.15 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 128.817 3.823 . . . . 0.0 114.672 -176.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -149.98 162.52 40.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.606 1.962 . . . . 0.0 108.851 171.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.0 m -105.96 125.51 51.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.966 -1.969 . . . . 0.0 107.085 171.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.312 47.4 mtp180 -130.31 121.8 26.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 128.788 2.835 . . . . 0.0 118.423 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? 48.38 39.78 13.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 127.618 2.367 . . . . 0.0 115.776 -164.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.67 -13.68 54.96 Favored Glycine 0 C--N 1.343 0.936 1 C-N-CA 131.677 4.465 . . . . 0.0 112.681 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -102.19 156.3 17.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 117.762 -3.199 . . . . 0.0 110.451 -167.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -94.18 124.46 38.21 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.429 2.3 pp -130.3 144.34 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 1 C-N-CA 134.2 5.0 . . . . 0.0 111.664 -168.253 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.06 138.66 32.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 129.701 3.2 . . . . 0.0 107.406 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.88 70.35 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 115.235 -2.317 . . . . 0.0 110.385 167.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 13' ' ' DPR . 18.5 Cg_exo . . . . . 0 N--CA 1.446 -1.297 0 CA-C-N 125.027 2.831 . . . . 0.0 113.563 -170.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.975 3 C2'-C3'-O3' 126.649 5.589 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 C5'-C4'-O4' 115.865 4.761 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.764 2 C5'-C4'-O4' 119.044 7.032 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O5'-C5'-C4' 114.882 3.344 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 1 C3'-C2'-C1' 105.196 4.107 . 0.063 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.58 0 C3'-C2'-C1' 104.444 3.272 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.896 4 C3'-C2'-C1' 108.758 8.065 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 2 O4'-C1'-N19 119.062 10.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 4 C5'-C4'-O4' 122.038 9.17 . 0.054 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 2 O4'-C1'-N19 115.09 6.89 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.09 3 C1'-O4'-C4' 102.345 -8.061 . 0.744 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.318 1 C5'-C4'-O4' 115.716 4.654 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.647 6 C4'-C3'-C2' 92.626 -10.074 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 2 C5'-C4'-C3' 109.206 -4.196 . 0.244 5r . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.892 3 O4'-C1'-N19 114.901 6.701 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 C5'-C4'-C3' 108.446 -4.702 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 3 C3'-C2'-C1' 106.878 5.975 . 0.222 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.861 2 O4'-C1'-N19 119.211 11.011 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 1 C1'-O4'-C4' 113.541 4.379 . 0.201 4d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 3 P-O3'-C3' 125.308 4.673 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.079 4 P-O3'-C3' 128.945 7.704 . 0.356 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.71 0 O5'-C5'-C4' 104.648 -3.966 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.718 3 C4'-C3'-C2' 97.049 -5.651 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.683 4 O4'-C1'-N19 117.548 9.348 . 0.128 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.849 1 O4'-C1'-N19 115.029 6.829 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 2 C3'-C2'-C1' 107.05 6.166 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.564 1 O4'-C1'-N19 114.602 6.402 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.056 2 C4'-C3'-C2' 97.623 -5.077 . 0.765 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 1 C5'-C4'-O4' 116.068 4.906 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.31 142.34 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 O-C-N 117.613 -3.179 . . . . 0.0 111.326 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -128.92 141.57 51.23 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.1 m -69.11 131.21 44.62 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.227 1.489 . . . . 0.0 113.128 166.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -156.33 130.18 8.45 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.725 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 56.83 46.06 20.48 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.696 2.498 . . . . 0.0 109.981 171.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 29.55 73.11 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 130.696 3.998 . . . . 0.0 117.304 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -152.46 159.85 43.31 Favored 'General case' 0 N--CA 1.449 -0.476 1 O-C-N 116.193 -4.122 . . . . 0.0 105.236 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -81.26 152.39 27.64 Favored 'General case' 0 N--CA 1.452 -0.331 1 O-C-N 115.132 -4.73 . . . . 0.0 113.049 160.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.598 HG22 " H1'" ' B' ' 33' ' ' ' G' . 1.3 pt -153.92 141.07 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 O-C-N 127.208 2.817 . . . . 0.0 111.172 -173.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -70.26 136.33 49.79 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 128.259 2.624 . . . . 0.0 114.685 -171.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.302 33.8 pt -122.38 78.07 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 128.772 2.829 . . . . 0.0 110.98 163.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -1.532 0 CA-C-O 113.23 -2.904 . . . . 0.0 114.991 169.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.625 0 C5'-C4'-O4' 114.712 3.937 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.452 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.156 6 O4'-C1'-N19 115.684 7.484 . 0.473 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.452 ' C6 ' " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.218 5 O4'-C1'-N19 114.578 6.378 . 0.639 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.707 2 N19-C1'-C2' 103.827 -5.983 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 3 O4'-C1'-N19 114.493 6.293 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 1 C4'-C3'-C2' 96.743 -5.957 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.749 2 O5'-C5'-C4' 117.223 5.016 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.128 3 N19-C1'-C2' 100.61 -7.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 3 C4'-C3'-C2' 94.196 -8.504 . 0.178 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.592 3 C5'-C4'-O4' 119.677 7.484 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.726 4 O5'-C5'-C4' 121.411 8.008 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.836 2 O4'-C1'-N19 118.212 10.012 . 0.191 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 3 C5'-C4'-O4' 117.977 6.269 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.964 3 C3'-C2'-C1' 97.238 -4.736 . 0.224 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.724 2 O4'-C1'-N19 116.864 8.664 . 0.023 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.594 2 C3'-C2'-C1' 94.7 -7.556 . 0.091 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . 0.598 " H1'" HG22 ' A' ' 10' ' ' ILE . . . . . . . . 0 O4'--C4' 1.41 -3.565 4 O4'-C1'-N19 113.919 5.719 . 0.232 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 4 O4'-C1'-C2' 114.255 5.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.188 2 C1'-O4'-C4' 114.807 5.786 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 0 C5'-C4'-C3' 110.902 -3.066 . 0.359 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 2 C4'-C3'-C2' 95.112 -7.588 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.865 1 N19-C1'-C2' 104.985 -5.26 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.082 2 C5'-C4'-C3' 104.549 -7.301 . 0.67 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.723 2 C4'-C3'-C2' 96.044 -6.656 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.618 5 O4'-C1'-N19 114.28 6.08 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.674 1 C5'-C4'-O4' 116.201 5.0 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.844 2 O4'-C1'-N19 116.653 8.453 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 1 O5'-C5'-C4' 118.066 5.619 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.532 0 C5'-C4'-C3' 110.576 -3.283 . 0.333 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 . . . . . 0 N--CA 1.442 -0.854 0 CA-C-O 123.958 1.837 . . . . 0.0 115.946 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.9 t -143.3 120.63 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 118.551 -2.593 . . . . 0.0 107.95 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -158.29 171.3 20.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 121.295 1.862 . . . . 0.0 114.688 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m -86.28 137.63 32.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.258 165.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -158.16 112.13 2.51 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 120.236 1.38 . . . . 0.0 109.722 -173.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 45.37 72.51 0.21 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 124.885 2.279 . . . . 0.0 113.899 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.96 -19.85 2.02 Favored Glycine 0 C--N 1.341 0.854 0 O-C-N 119.475 -2.016 . . . . 0.0 117.784 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -134.08 171.7 13.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 116.416 -3.991 . . . . 0.0 117.41 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -87.77 134.43 33.68 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 129.809 3.243 . . . . 0.0 107.759 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 pt -130.0 152.33 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 129.259 3.024 . . . . 0.0 109.053 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -122.99 113.89 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 125.158 1.383 . . . . 0.0 110.075 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 13' ' ' DPR . 2.8 pt -133.4 84.75 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 130.682 3.593 . . . . 0.0 113.707 -168.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' DPR . . . . . 0.413 ' HD2' ' HA ' ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.457 -0.653 0 C-N-CA 124.656 3.571 . . . . 0.0 114.25 170.369 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.71 2 O5'-C5'-C4' 118.392 5.852 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 2 C5'-C4'-O4' 115.756 4.683 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.648 2 P-O3'-C3' 125.042 4.451 . 0.019 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.506 1 C4'-C3'-C2' 96.281 -6.419 . 0.336 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.706 4 C5'-C4'-O4' 116.153 4.966 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 C5'-C4'-O4' 115.944 4.817 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.798 7 O4'-C1'-N19 116.892 8.692 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.874 0 C3'-C2'-O2' 107.55 -1.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.9 4 C4'-C3'-C2' 96.997 -5.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.783 0 C5'-C4'-C3' 120.566 3.377 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 2 N19-C1'-C2' 102.478 -6.826 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 2 C5'-C4'-O4' 119.629 7.449 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 4 C5'-C4'-C3' 122.827 4.885 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 4 C4'-C3'-C2' 97.449 -5.251 . 0.077 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 3 C3'-C2'-C1' 108.074 7.304 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.545 2 O4'-C1'-N19 115.014 6.814 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 2 C4'-C3'-C2' 108.787 6.087 . 0.195 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.483 2 O4'-C1'-N19 114.903 6.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 C3'-C2'-C1' 96.642 -5.397 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.882 2 C5'-C4'-O4' 117.265 5.76 . 0.1 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.355 2 P-O3'-C3' 125.855 5.129 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 5 C4'-C3'-C2' 95.719 -6.981 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.104 3 O4'-C1'-N19 113.698 5.498 . 0.215 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.424 3 C4'-C3'-C2' 97.531 -5.169 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.452 0 P-O3'-C3' 123.995 3.579 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.624 3 N19-C1'-C2' 104.969 -5.269 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.597 3 O5'-C5'-C4' 120.013 7.009 . 0.051 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.714 2 C4'-C3'-C2' 97.549 -5.151 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.152 4 C5'-C4'-O4' 118.596 6.711 . 0.78 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.69 163.3 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 127.551 2.341 . . . . 0.0 113.172 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -160.75 141.62 11.69 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.1 130.72 35.5 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.797 -1.814 . . . . 0.0 108.972 168.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -150.44 129.11 12.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.567 1.547 . . . . 0.0 108.479 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.424 87.5 mttt 62.39 28.38 16.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 168.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.44 -14.77 63.88 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 115.592 -2.782 . . . . 0.0 116.541 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.68 161.28 35.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 120.43 2.115 . . . . 0.0 116.301 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -76.27 133.82 39.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 120.295 1.407 . . . . 0.0 114.747 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.4 tt -122.9 143.53 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.041 1.736 . . . . 0.0 109.849 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.435 34.1 ttm-85 -82.27 143.58 31.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 167.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.896 HG22 " H1'" ' B' ' 35' ' ' ' A' . 4.3 pt -137.36 72.5 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 111.667 -2.515 . . . . 0.0 113.998 -172.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo . . . . . 0 N--CA 1.458 -0.596 0 N-CA-C 120.822 3.354 . . . . 0.0 120.822 179.003 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.316 3 O5'-C5'-C4' 118.889 6.207 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.509 1 C4'-C3'-C2' 97.88 -4.82 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 1 C5'-C4'-O4' 119.048 7.034 . 0.298 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 3 O4'-C1'-N19 118.747 10.547 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.316 1 N19-C1'-C2' 106.788 -4.133 . 0.659 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 3 O4'-C1'-N19 114.44 6.24 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.664 3 O4'-C1'-N19 117.097 8.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 2 P-O3'-C3' 127.181 6.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.585 0 O3'-P-O5' 111.179 3.778 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.993 1 C5'-C4'-C3' 106.506 -5.996 . 0.0 OUTLIER '7D dist 3d' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.765 1 O4'-C1'-N19 114.726 6.526 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . 0.501 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.41 -3.586 1 N19-C1'-C2' 105.735 -4.791 . 0.175 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.501 ' C6 ' " H2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.345 3 O4'-C1'-N19 117.488 9.288 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.566 4 O4'-C1'-N19 117.627 9.427 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.301 1 C5'-C4'-C3' 107.532 -5.312 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 4 O4'-C1'-N19 115.606 7.406 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 2 C1'-O4'-C4' 102.952 -7.387 . 0.036 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.789 1 O4'-C1'-N19 112.327 4.127 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . 0.896 " H1'" HG22 ' A' ' 12' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.37 3 O4'-C1'-N19 113.836 5.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.717 3 C5'-C4'-O4' 119.163 7.116 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.616 5 O4'-C1'-N19 116.499 8.299 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.756 5 O4'-C1'-N19 120.08 11.88 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 2 O4'-C1'-N19 115.103 6.903 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 4 C3'-C2'-C1' 107.607 6.786 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.357 1 P-O3'-C3' 124.516 4.014 . 0.532 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.388 4 O4'-C1'-N19 114.084 5.884 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.509 6 C4'-C3'-C2' 95.379 -7.321 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.514 3 O4'-C1'-N19 117.461 9.261 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.549 3 O4'-C4'-C3' 98.001 -5.356 . 0.147 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -82.42 153.75 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 116.993 -3.567 . . . . 0.0 110.302 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -144.16 170.22 16.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 123.369 1.557 . . . . 0.0 108.558 165.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.516 HG21 ' C6 ' ' B' ' 24' ' ' ' C' . 24.5 m -111.56 133.26 53.95 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 117.088 -3.507 . . . . 0.0 112.736 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -126.31 119.27 26.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 111.512 -2.585 . . . . 0.0 109.7 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt 26.7 73.57 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 -171.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.07 -11.69 0.47 Allowed Glycine 0 C--N 1.339 0.735 0 N-CA-C 116.158 1.223 . . . . 0.0 116.158 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -99.92 132.71 45.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.047 -1.266 . . . . 0.0 112.527 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -91.64 130.07 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 125.323 2.487 . . . . 0.0 105.841 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.6 149.57 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 108.695 -3.866 . . . . 0.0 108.995 -172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -118.98 107.09 13.11 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 35.5 mm -122.25 93.18 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 126.449 1.899 . . . . 0.0 112.939 -158.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo . . . . . 0 N--CA 1.449 -1.128 0 C-N-CA 124.49 3.46 . . . . 0.0 120.251 179.306 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.587 1 C4'-C3'-C2' 95.985 -6.715 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 2 C5'-C4'-C3' 107.043 -5.638 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . 0.526 " H2'" " O4'" ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.674 4 O4'-C4'-C3' 98.355 -5.103 . 0.494 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . 0.526 " O4'" " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.069 2 C4'-C3'-C2' 96.075 -6.625 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 5 C3'-C2'-C1' 107.742 6.936 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.542 2 O3'-P-O5' 94.543 -4.978 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.606 4 O4'-C1'-N19 118.197 9.997 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.516 ' C6 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . 1 O4'--C4' 1.405 -4.007 4 C4'-C3'-C2' 93.414 -9.286 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 O4'-C1'-N19 112.098 3.898 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.38 1 O5'-C5'-C4' 121.35 7.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.035 1 O3'-P-O5' 112.069 4.247 . 0.369 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.383 2 C5'-C4'-O4' 118.935 6.954 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 3 C5'-C4'-C3' 108.446 -4.702 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.235 2 N19-C1'-C2' 120.674 4.546 . 0.171 5r . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.886 5 O4'-C1'-N19 115.542 7.342 . 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.448 2 O4'-C1'-N19 116.255 8.055 . 0.035 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.725 2 O5'-C5'-C4' 118.43 5.879 . 0.142 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.239 3 O3'-P-O5' 114.349 5.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 6 O5'-C5'-C4' 121.736 8.24 . 0.42 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.488 5 C5'-C4'-O4' 118.617 6.726 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 4 O4'-C1'-N19 115.607 7.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.85 1 O4'-C1'-N19 113.513 5.313 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 C4'-C3'-O3' 122.445 4.556 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.75 1 C3'-C2'-C1' 97.502 -4.442 . 0.278 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.602 3 O4'-C1'-N19 114.366 6.166 . 0.02 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 1 C5'-C4'-C3' 108.413 -4.725 . 0.335 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 1 O4'-C1'-N19 114.454 6.254 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 3 C5'-C4'-O4' 119.611 7.436 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.612 2 O4'-C1'-N19 114.189 5.989 . 0.209 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.079 -0.962 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 t -144.35 140.17 24.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 120.274 1.397 . . . . 0.0 112.517 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -142.71 158.18 43.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 146.74 32.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 115.784 -2.055 . . . . 0.0 109.886 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -158.08 138.76 12.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 127.97 2.508 . . . . 0.0 109.326 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 52.74 22.64 2.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 126.782 2.033 . . . . 0.0 112.534 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.37 11.94 63.75 Favored Glycine 0 N--CA 1.444 -0.779 0 O-C-N 124.312 1.008 . . . . 0.0 114.86 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -129.53 159.19 37.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 118.844 1.322 . . . . 0.0 113.695 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -85.56 124.37 32.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 116.647 -3.783 . . . . 0.0 120.756 169.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -110.87 149.2 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -67.51 141.22 56.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 128.283 2.633 . . . . 0.0 107.914 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 pt -135.65 85.94 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-O 125.164 2.411 . . . . 0.0 108.411 165.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 N--CA 1.455 -0.788 1 C-N-CA 125.312 4.008 . . . . 0.0 112.792 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.39 0 N19-C1'-C2' 119.778 3.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.971 2 P-O5'-C5' 127.733 4.271 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.533 5 O4'-C1'-N19 115.136 6.936 . 0.036 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.691 1 O5'-C5'-C4' 116.465 4.475 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.241 2 C5'-C4'-O4' 123.576 10.269 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.453 3 C3'-C2'-C1' 94.526 -7.749 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.31 4 O4'-C1'-N19 117.649 9.449 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.563 4 O4'-C1'-N19 117.977 9.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.446 1 C5'-C4'-O4' 117.188 5.706 . 0.335 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.673 1 O4'-C1'-N19 112.827 4.627 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.119 3 C1'-O4'-C4' 102.113 -8.319 . 0.645 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.581 1 C1'-O4'-C4' 105.475 -4.584 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.224 3 C4'-C3'-C2' 98.229 -4.471 . 0.54 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 113.373 5.173 . 0.015 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.776 4 C1'-O4'-C4' 102.43 -7.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.74 2 C5'-C4'-C3' 106.663 -5.891 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 2 C4'-C3'-C2' 98.206 -4.494 . 0.02 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 1 O4'-C1'-N19 113.032 4.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.93 4 P-O3'-C3' 126.846 5.955 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.089 1 C4'-C3'-C2' 97.562 -5.138 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 3 C4'-C3'-C2' 96.784 -5.916 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 4 O4'-C1'-N19 115.345 7.145 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 3 C5'-C4'-O4' 117.132 5.666 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 2 O4'-C1'-N19 116.167 7.967 . 0.223 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 3 C1'-O4'-C4' 113.408 4.231 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.763 0 C5'-C4'-C3' 110.32 -3.453 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.699 2 C3'-C2'-C1' 95.012 -7.208 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 0 O4'-C4'-C3' 100.028 -3.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 C3'-C2'-C1' 104.74 3.6 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 125.947 2.784 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -133.27 140.19 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.815 -163.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -138.22 143.14 40.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 126.487 3.042 . . . . 0.0 111.646 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 p -91.82 127.67 37.37 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.096 -1.865 . . . . 0.0 107.603 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -141.45 113.2 7.76 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 118.86 -2.4 . . . . 0.0 106.745 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 54.08 47.43 23.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 156.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.13 -7.4 32.79 Favored Glycine 0 C--O 1.224 -0.515 0 C-N-CA 129.864 3.602 . . . . 0.0 114.444 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -150.5 151.56 32.87 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.747 2.773 . . . . 0.0 117.059 -169.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -82.46 136.72 34.85 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 126.323 2.963 . . . . 0.0 106.731 168.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.332 12.1 pt -113.81 154.16 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.792 3.237 . . . . 0.0 110.443 165.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -116.69 142.11 47.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 122.868 1.318 . . . . 0.0 108.444 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.448 -0.562 0 C-N-CA 127.002 2.121 . . . . 0.0 106.095 -178.582 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -132.42 149.8 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.804 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -142.32 150.33 40.66 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -74.94 145.59 42.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 158.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -151.12 134.48 16.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.089 -1.868 . . . . 0.0 106.56 164.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.287 31.7 tttt 45.5 49.45 10.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.366 1.466 . . . . 0.0 111.986 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.6 -1.01 5.96 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 121.828 3.491 . . . . 0.0 121.828 -174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -119.53 167.71 11.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -114.0 145.95 40.83 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 118.254 -2.779 . . . . 0.0 115.172 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -159.54 139.15 3.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 126.015 1.726 . . . . 0.0 111.896 -165.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -80.22 147.42 31.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 126.92 3.247 . . . . 0.0 110.037 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 pt . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 130.005 3.322 . . . . 0.0 116.599 163.056 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 m -116.09 143.14 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 124.877 2.275 . . . . 0.0 113.915 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.329 7.1 ptm85 -132.04 -175.78 3.85 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.68 2.792 . . . . 0.0 110.288 160.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.6 m -114.08 137.77 51.3 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 112.609 -3.567 . . . . 0.0 110.342 175.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -149.43 124.72 10.19 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 126.558 3.075 . . . . 0.0 107.742 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.267 79.4 mttt 58.44 26.67 14.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 112.342 -2.208 . . . . 0.0 112.331 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.09 5.48 73.13 Favored Glycine 0 CA--C 1.524 0.619 0 O-C-N 117.672 -3.143 . . . . 0.0 115.403 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.281 22.5 ptt180 -120.55 153.19 37.09 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 122.216 3.008 . . . . 0.0 110.994 165.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -74.63 130.55 39.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 124.132 0.895 . . . . 0.0 112.514 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -120.41 154.91 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 128.255 2.622 . . . . 0.0 114.867 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -80.54 141.22 35.33 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.805 170.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 pt . . . . . 0 CA--C 1.512 -0.51 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 168.594 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 m -137.78 160.72 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.016 2.126 . . . . 0.0 109.664 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -140.79 149.21 41.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.809 2.242 . . . . 0.0 111.169 162.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -80.1 135.38 36.31 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 123.471 1.605 . . . . 0.0 107.95 157.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -156.94 130.38 8.03 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 118.521 -2.612 . . . . 0.0 109.275 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 48.21 48.61 18.51 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.616 2.767 . . . . 0.0 110.842 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.25 4.48 64.0 Favored Glycine 0 CA--C 1.522 0.525 0 CA-C-O 117.185 -1.897 . . . . 0.0 114.501 177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -124.88 158.7 32.85 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 122.859 3.33 . . . . 0.0 111.762 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -90.46 144.62 25.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 117.832 -3.043 . . . . 0.0 110.293 164.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.95 140.41 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 127.889 2.476 . . . . 0.0 110.913 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -90.44 128.48 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 116.54 -1.695 . . . . 0.0 109.339 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.427 13.0 pt . . . . . 0 CA--C 1.515 -0.378 1 O-C-N 130.956 5.16 . . . . 0.0 115.229 178.862 . . . . . . . . 2 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 mtm-85 . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.309 6.7 m -123.76 156.15 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 128.817 3.823 . . . . 0.0 114.672 -176.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -149.98 162.52 40.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.606 1.962 . . . . 0.0 108.851 171.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.0 m -105.96 125.51 51.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.966 -1.969 . . . . 0.0 107.085 171.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.312 47.4 mtp180 -130.31 121.8 26.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 128.788 2.835 . . . . 0.0 118.423 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? 48.38 39.78 13.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 127.618 2.367 . . . . 0.0 115.776 -164.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.67 -13.68 54.96 Favored Glycine 0 C--N 1.343 0.936 1 C-N-CA 131.677 4.465 . . . . 0.0 112.681 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -102.19 156.3 17.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 117.762 -3.199 . . . . 0.0 110.451 -167.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -94.18 124.46 38.21 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.429 2.3 pp -130.3 144.34 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 1 C-N-CA 134.2 5.0 . . . . 0.0 111.664 -168.253 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.06 138.66 32.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 129.701 3.2 . . . . 0.0 107.406 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 115.235 -2.317 . . . . 0.0 110.385 167.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.31 142.34 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 O-C-N 117.613 -3.179 . . . . 0.0 111.326 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -128.92 141.57 51.23 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.1 m -69.11 131.21 44.62 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.227 1.489 . . . . 0.0 113.128 166.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -156.33 130.18 8.45 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.725 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 56.83 46.06 20.48 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.696 2.498 . . . . 0.0 109.981 171.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 29.55 73.11 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 130.696 3.998 . . . . 0.0 117.304 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -152.46 159.85 43.31 Favored 'General case' 0 N--CA 1.449 -0.476 1 O-C-N 116.193 -4.122 . . . . 0.0 105.236 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -81.26 152.39 27.64 Favored 'General case' 0 N--CA 1.452 -0.331 1 O-C-N 115.132 -4.73 . . . . 0.0 113.049 160.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -153.92 141.07 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 O-C-N 127.208 2.817 . . . . 0.0 111.172 -173.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -70.26 136.33 49.79 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 128.259 2.624 . . . . 0.0 114.685 -171.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.302 33.8 pt . . . . . 0 N--CA 1.452 -0.35 0 C-N-CA 128.772 2.829 . . . . 0.0 110.98 163.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 . . . . . 0 N--CA 1.442 -0.854 0 CA-C-O 123.958 1.837 . . . . 0.0 115.946 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.9 t -143.3 120.63 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 118.551 -2.593 . . . . 0.0 107.95 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -158.29 171.3 20.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 121.295 1.862 . . . . 0.0 114.688 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m -86.28 137.63 32.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.258 165.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -158.16 112.13 2.51 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 120.236 1.38 . . . . 0.0 109.722 -173.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 45.37 72.51 0.21 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 124.885 2.279 . . . . 0.0 113.899 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.96 -19.85 2.02 Favored Glycine 0 C--N 1.341 0.854 0 O-C-N 119.475 -2.016 . . . . 0.0 117.784 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -134.08 171.7 13.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 116.416 -3.991 . . . . 0.0 117.41 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -87.77 134.43 33.68 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 129.809 3.243 . . . . 0.0 107.759 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 pt -130.0 152.33 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 129.259 3.024 . . . . 0.0 109.053 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -122.99 113.89 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 125.158 1.383 . . . . 0.0 110.075 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt . . . . . 0 N--CA 1.451 -0.395 0 C-N-CA 130.682 3.593 . . . . 0.0 113.707 -168.128 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.69 163.3 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 127.551 2.341 . . . . 0.0 113.172 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -160.75 141.62 11.69 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.1 130.72 35.5 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.797 -1.814 . . . . 0.0 108.972 168.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -150.44 129.11 12.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.567 1.547 . . . . 0.0 108.479 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.424 87.5 mttt 62.39 28.38 16.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 168.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.44 -14.77 63.88 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 115.592 -2.782 . . . . 0.0 116.541 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.68 161.28 35.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 120.43 2.115 . . . . 0.0 116.301 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -76.27 133.82 39.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 120.295 1.407 . . . . 0.0 114.747 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.4 tt -122.9 143.53 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.041 1.736 . . . . 0.0 109.849 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.435 34.1 ttm-85 -82.27 143.58 31.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 167.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 pt . . . . . 0 C--O 1.217 -0.629 0 CA-C-N 111.667 -2.515 . . . . 0.0 113.998 -172.365 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -82.42 153.75 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 116.993 -3.567 . . . . 0.0 110.302 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -144.16 170.22 16.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 123.369 1.557 . . . . 0.0 108.558 165.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.5 m -111.56 133.26 53.95 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 117.088 -3.507 . . . . 0.0 112.736 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -126.31 119.27 26.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 111.512 -2.585 . . . . 0.0 109.7 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt 26.7 73.57 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 -171.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.07 -11.69 0.47 Allowed Glycine 0 C--N 1.339 0.735 0 N-CA-C 116.158 1.223 . . . . 0.0 116.158 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -99.92 132.71 45.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.047 -1.266 . . . . 0.0 112.527 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -91.64 130.07 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 125.323 2.487 . . . . 0.0 105.841 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.6 149.57 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 108.695 -3.866 . . . . 0.0 108.995 -172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -118.98 107.09 13.11 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 35.5 mm . . . . . 0 N--CA 1.451 -0.405 0 C-N-CA 126.449 1.899 . . . . 0.0 112.939 -158.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.079 -0.962 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 t -144.35 140.17 24.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 120.274 1.397 . . . . 0.0 112.517 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -142.71 158.18 43.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 146.74 32.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 115.784 -2.055 . . . . 0.0 109.886 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -158.08 138.76 12.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 127.97 2.508 . . . . 0.0 109.326 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 52.74 22.64 2.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 126.782 2.033 . . . . 0.0 112.534 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.37 11.94 63.75 Favored Glycine 0 N--CA 1.444 -0.779 0 O-C-N 124.312 1.008 . . . . 0.0 114.86 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -129.53 159.19 37.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 118.844 1.322 . . . . 0.0 113.695 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -85.56 124.37 32.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 116.647 -3.783 . . . . 0.0 120.756 169.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -110.87 149.2 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -67.51 141.22 56.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 128.283 2.633 . . . . 0.0 107.914 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 pt . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 125.164 2.411 . . . . 0.0 108.411 165.7 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 125.947 2.784 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -133.27 140.19 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 111.91 -2.405 . . . . 0.0 108.815 -163.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -138.22 143.14 40.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 126.487 3.042 . . . . 0.0 111.646 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 p -91.82 127.67 37.37 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.096 -1.865 . . . . 0.0 107.603 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -141.45 113.2 7.76 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 118.86 -2.4 . . . . 0.0 106.745 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 54.08 47.43 23.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 156.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.13 -7.4 32.79 Favored Glycine 0 C--O 1.224 -0.515 0 C-N-CA 129.864 3.602 . . . . 0.0 114.444 175.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -150.5 151.56 32.87 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.747 2.773 . . . . 0.0 117.059 -169.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -82.46 136.72 34.85 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 126.323 2.963 . . . . 0.0 106.731 168.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.332 12.1 pt -113.81 154.16 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.792 3.237 . . . . 0.0 110.443 165.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -116.69 142.11 47.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 122.868 1.318 . . . . 0.0 108.444 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.9 mt -138.82 113.79 8.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 127.002 2.121 . . . . 0.0 106.095 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 13' ' ' DPR . 62.5 Cg_endo . . . . . 0 N--CA 1.448 -1.189 0 C-N-CA 124.448 3.432 . . . . 0.0 113.065 169.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.718 2 O4'-C1'-N19 120.618 12.418 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.935 1 O4'-C1'-N19 114.672 6.472 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.472 5 C3'-C2'-C1' 96.853 -5.164 . 0.247 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 2 C3'-C2'-C1' 105.366 4.295 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 1 C5'-C4'-O4' 118.234 6.453 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.741 2 O4'-C1'-N19 114.411 6.211 OUTLIER-DELTA 0.1 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . 0.407 " H4'" H5'' ' B' ' 26' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.265 6 C3'-C2'-C1' 108.154 7.393 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.661 4 P-O3'-C3' 128.791 7.576 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 1 O3'-P-O5' 95.574 -4.435 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.407 H5'' " H4'" ' B' ' 23' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.544 3 O4'-C1'-N19 114.435 6.235 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.787 3 C5'-C4'-O4' 117.935 6.239 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.949 0 C3'-C2'-C1' 105.001 3.89 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 3 O4'-C1'-N19 115.565 7.365 . 0.129 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 4 C4'-C3'-C2' 97.268 -5.432 . 0.186 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.082 1 O4'-C1'-N19 120.974 12.774 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.356 1 O4'-C1'-N19 117.295 9.095 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.016 2 O4'-C1'-N19 117.926 9.726 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.803 3 O4'-C1'-N19 100.007 -8.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 3 O4'-C1'-N19 117.356 9.156 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.526 1 O4'-C1'-N19 118.344 10.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.738 1 O5'-C5'-C4' 115.876 4.054 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 3 O4'-C1'-N19 114.149 5.949 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 3 O4'-C1'-N19 119.58 11.38 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.789 2 N19-C1'-C2' 104.536 -5.54 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.733 2 C4'-C3'-O3' 122.995 4.767 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.804 1 C4'-C3'-C2' 97.365 -5.335 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 C5'-C4'-C3' 108.62 -4.587 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.797 1 O4'-C1'-N19 115.475 7.275 . 0.346 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 2 C3'-C2'-C1' 105.684 4.649 . 0.166 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 118.467 -0.778 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.8 t -132.42 149.8 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 117.266 -1.349 . . . . 0.0 112.804 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.8 ptt85 -142.32 150.33 40.66 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -74.94 145.59 42.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 158.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -151.12 134.48 16.15 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.089 -1.868 . . . . 0.0 106.56 164.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.287 31.7 tttt 45.5 49.45 10.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.366 1.466 . . . . 0.0 111.986 176.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.6 -1.01 5.96 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 121.828 3.491 . . . . 0.0 121.828 -174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -119.53 167.71 11.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -114.0 145.95 40.83 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 118.254 -2.779 . . . . 0.0 115.172 -175.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -159.54 139.15 3.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 126.015 1.726 . . . . 0.0 111.896 -165.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -80.22 147.42 31.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 126.92 3.247 . . . . 0.0 110.037 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.7 pt -114.21 94.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 130.005 3.322 . . . . 0.0 116.599 163.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo . . . . . 0 N--CA 1.445 -1.339 1 C-N-CA 127.227 5.284 . . . . 0.0 118.419 176.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.407 2 O4'-C1'-N19 114.059 5.859 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.124 3 C4'-C3'-C2' 106.895 4.195 . 0.12 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.834 5 C1'-O4'-C4' 115.634 6.704 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.175 4 O4'-C1'-N19 116.533 8.333 . 0.152 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 1 P-O3'-C3' 125.47 4.809 . 0.324 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.524 1 C1'-O4'-C4' 105.838 -4.18 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.631 3 C1'-O4'-C4' 113.656 4.506 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.707 2 O4'-C1'-N19 113.266 5.066 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.897 1 O4'-C1'-N19 103.312 -4.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . 0.458 ' N2 ' " H1'" ' B' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.53 3 O4'-C1'-N19 118.7 10.5 . 0.044 1g . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . 0.458 " H1'" ' N2 ' ' B' ' 26' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.407 -3.83 1 O4'-C1'-N19 113.837 5.637 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.655 4 C5'-C4'-O4' 116.936 5.526 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.575 1 C4'-C3'-C2' 97.92 -4.78 . 0.222 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.671 0 C5'-C4'-C3' 110.142 -3.572 . 0.168 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.093 5 C1'-O4'-C4' 115.129 6.144 . 0.345 3b . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.007 1 O5'-C5'-C4' 117.367 5.119 . 0.476 0b . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.53 1 O4'-C1'-N19 113.916 5.716 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 0 O4'-C1'-C2' 101.27 -3.664 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 4 C3'-C2'-C1' 95.88 -6.245 . 0.138 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.808 1 O3'-P-O5' 111.981 4.2 . 0.01 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 1 N19-C1'-C2' 106.1 -4.562 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.666 3 C4'-C3'-C2' 96.672 -6.028 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 4 O5'-C5'-C4' 117.992 5.566 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.495 3 C5'-C4'-O4' 120.299 7.928 . 0.138 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.603 4 C1'-O4'-C4' 113.913 4.792 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.904 2 C4'-C3'-C2' 97.994 -4.706 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.907 1 C5'-C4'-O4' 115.772 4.694 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 3 O4'-C4'-C3' 98.146 -5.253 . 0.285 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.56 5 C3'-C2'-C1' 109.466 8.851 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 66.6 mtt85 . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 m -116.09 143.14 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-O 124.877 2.275 . . . . 0.0 113.915 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.556 HH21 ' P ' ' B' ' 24' ' ' ' C' 0.329 7.1 ptm85 -132.04 -175.78 3.85 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 128.68 2.792 . . . . 0.0 110.288 160.648 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 ' O ' " H5'" ' B' ' 24' ' ' ' C' . 62.6 m -114.08 137.77 51.3 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 112.609 -3.567 . . . . 0.0 110.342 175.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 ttt-85 -149.43 124.72 10.19 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 126.558 3.075 . . . . 0.0 107.742 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.267 79.4 mttt 58.44 26.67 14.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 112.342 -2.208 . . . . 0.0 112.331 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.09 5.48 73.13 Favored Glycine 0 CA--C 1.524 0.619 0 O-C-N 117.672 -3.143 . . . . 0.0 115.403 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . 0.281 22.5 ptt180 -120.55 153.19 37.09 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 122.216 3.008 . . . . 0.0 110.994 165.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -74.63 130.55 39.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 124.132 0.895 . . . . 0.0 112.514 170.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -120.41 154.91 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 128.255 2.622 . . . . 0.0 114.867 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -80.54 141.22 35.33 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 114.102 -1.408 . . . . 0.0 109.805 170.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 pt -128.42 73.9 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 168.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo . . . . . 0 N--CA 1.455 -0.741 0 C-N-CA 122.837 2.358 . . . . 0.0 115.694 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 99.556 -3.144 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 3 C5'-C4'-O4' 119.08 7.057 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.677 4 C1'-O4'-C4' 119.48 10.978 . 0.384 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.659 1 O4'-C1'-N19 102.211 -5.989 . 0.364 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.329 2 C5'-C4'-O4' 120.255 7.896 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.84 3 C4'-C3'-C2' 91.336 -11.364 . 0.374 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.709 2 C3'-C2'-C1' 106.24 5.267 . 0.369 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.556 ' P ' HH21 ' A' ' 3' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.283 3 C1'-O4'-C4' 104.492 -5.676 . 0.291 3d . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 2 O4'-C1'-N19 118.322 10.122 . 0.271 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.899 2 C5'-C4'-C3' 125.143 6.429 . 0.214 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.022 3 O4'-C1'-N19 118.214 10.014 . 0.277 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.427 ' C5 ' ' C5 ' ' B' ' 29' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.075 2 C5'-C4'-C3' 106.83 -5.78 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.427 ' C5 ' ' C5 ' ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.405 -3.963 2 O4'-C1'-N19 114.513 6.313 . 0.188 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 5 C3'-C2'-C1' 96.571 -5.476 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.763 2 C1'-O4'-C4' 102.897 -7.448 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 5 C1'-O4'-C4' 114.303 5.226 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.852 2 O4'-C1'-N19 123.067 14.867 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 2 C5'-C4'-O4' 101.467 -5.524 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.32 5 C1'-O4'-C4' 103.811 -6.432 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 1 C4'-C3'-C2' 97.166 -5.534 . 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 2 O4'-C1'-N19 116.735 8.535 . 0.484 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 2 O4'-C1'-N19 114.413 6.213 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.817 3 O4'-C1'-N19 115.573 7.373 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 2 O4'-C1'-N19 115.374 7.174 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . 0.436 " H2'" ' C6 ' ' B' ' 42' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.298 2 O4'-C1'-N19 118.102 9.902 . 0.048 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 41' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.486 2 O4'-C1'-N19 113.951 5.751 . 0.923 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.894 4 C4'-C3'-C2' 95.619 -7.081 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 3 O4'-C1'-N19 118.75 10.55 . 0.248 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.653 4 O5'-C5'-C4' 117.998 5.57 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 m -137.78 160.72 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.016 2.126 . . . . 0.0 109.664 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -140.79 149.21 41.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.809 2.242 . . . . 0.0 111.169 162.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -80.1 135.38 36.31 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 123.471 1.605 . . . . 0.0 107.95 157.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -156.94 130.38 8.03 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 118.521 -2.612 . . . . 0.0 109.275 -174.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 48.21 48.61 18.51 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.616 2.767 . . . . 0.0 110.842 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.25 4.48 64.0 Favored Glycine 0 CA--C 1.522 0.525 0 CA-C-O 117.185 -1.897 . . . . 0.0 114.501 177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -124.88 158.7 32.85 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 122.859 3.33 . . . . 0.0 111.762 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -90.46 144.62 25.62 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 117.832 -3.043 . . . . 0.0 110.293 164.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.4 pt -140.95 140.41 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 C-N-CA 127.889 2.476 . . . . 0.0 110.913 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.4 mtm-85 -90.44 128.48 36.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 116.54 -1.695 . . . . 0.0 109.339 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.427 13.0 pt -125.08 77.37 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.378 1 O-C-N 130.956 5.16 . . . . 0.0 115.229 178.862 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo . . . . . 0 N--CA 1.446 -1.309 0 N-CA-C 119.945 3.017 . . . . 0.0 119.945 168.602 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.631 2 C1'-O4'-C4' 114.631 5.59 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.982 2 C5'-C4'-O4' 115.617 4.584 . 0.064 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.054 4 C4'-C3'-C2' 94.207 -8.493 . 0.766 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.596 2 O4'-C1'-N19 115.681 7.481 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 2 C5'-C4'-O4' 116.052 4.894 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.905 3 C5'-C4'-O4' 118.567 6.69 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 O4'-C1'-N19 114.793 6.593 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.092 4 O4'-C1'-N19 114.611 6.411 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 2 C5'-C4'-C3' 104.571 -7.286 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 4 O4'-C1'-N19 101.073 -7.127 . 0.027 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 3 C4'-C3'-C2' 95.088 -7.612 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 2 C5'-C4'-O4' 118.571 6.694 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.23 0 C1'-O4'-C4' 112.92 3.689 . 0.427 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.78 2 O4'-C1'-N19 117.583 9.383 . 0.107 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.396 -4.731 2 C5'-C4'-O4' 119.044 7.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 5 O4'-C1'-N19 116.274 8.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.463 3 O4'-C1'-N19 117.141 8.941 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 0 C3'-C2'-C1' 98.676 -3.137 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 4 O4'-C1'-N19 116.26 8.06 . 0.282 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.052 2 O4'-C1'-N19 115.039 6.839 . 0.051 9a . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 4 C5'-C4'-C3' 104.434 -7.377 . 0.345 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 116.885 8.685 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.354 0 C5'-C4'-C3' 121.385 3.924 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.552 3 C4'-C3'-C2' 95.481 -7.219 . 0.526 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 5 O5'-C5'-C4' 100.893 -6.648 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.656 1 O4'-C1'-N19 113.732 5.532 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.623 2 C3'-C2'-C1' 97.044 -4.952 . 0.303 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 1 O4'-C1'-N19 115.932 7.732 . 0.195 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.786 0 N19-C1'-C2' 118.591 3.244 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.5 mtm-85 . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . 0.309 6.7 m -123.76 156.15 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 128.817 3.823 . . . . 0.0 114.672 -176.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -149.98 162.52 40.21 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 126.606 1.962 . . . . 0.0 108.851 171.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.0 m -105.96 125.51 51.07 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.966 -1.969 . . . . 0.0 107.085 171.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.312 47.4 mtp180 -130.31 121.8 26.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 128.788 2.835 . . . . 0.0 118.423 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? 48.38 39.78 13.26 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 127.618 2.367 . . . . 0.0 115.776 -164.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.67 -13.68 54.96 Favored Glycine 0 C--N 1.343 0.936 1 C-N-CA 131.677 4.465 . . . . 0.0 112.681 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -102.19 156.3 17.65 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 117.762 -3.199 . . . . 0.0 110.451 -167.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.7 tpp85 -94.18 124.46 38.21 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.429 2.3 pp -130.3 144.34 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 1 C-N-CA 134.2 5.0 . . . . 0.0 111.664 -168.253 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.06 138.66 32.95 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 129.701 3.2 . . . . 0.0 107.406 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.88 70.35 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 115.235 -2.317 . . . . 0.0 110.385 167.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 13' ' ' DPR . 18.5 Cg_exo . . . . . 0 N--CA 1.446 -1.297 0 CA-C-N 125.027 2.831 . . . . 0.0 113.563 -170.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.975 3 C2'-C3'-O3' 126.649 5.589 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 C5'-C4'-O4' 115.865 4.761 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.764 2 C5'-C4'-O4' 119.044 7.032 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O5'-C5'-C4' 114.882 3.344 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 1 C3'-C2'-C1' 105.196 4.107 . 0.063 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.58 0 C3'-C2'-C1' 104.444 3.272 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.896 4 C3'-C2'-C1' 108.758 8.065 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 2 O4'-C1'-N19 119.062 10.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 4 C5'-C4'-O4' 122.038 9.17 . 0.054 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 2 O4'-C1'-N19 115.09 6.89 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.09 3 C1'-O4'-C4' 102.345 -8.061 . 0.744 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.318 1 C5'-C4'-O4' 115.716 4.654 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.647 6 C4'-C3'-C2' 92.626 -10.074 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 2 C5'-C4'-C3' 109.206 -4.196 . 0.244 5r . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.892 3 O4'-C1'-N19 114.901 6.701 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 C5'-C4'-C3' 108.446 -4.702 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 3 C3'-C2'-C1' 106.878 5.975 . 0.222 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.861 2 O4'-C1'-N19 119.211 11.011 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.689 1 C1'-O4'-C4' 113.541 4.379 . 0.201 4d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 3 P-O3'-C3' 125.308 4.673 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.079 4 P-O3'-C3' 128.945 7.704 . 0.356 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.71 0 O5'-C5'-C4' 104.648 -3.966 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.718 3 C4'-C3'-C2' 97.049 -5.651 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.683 4 O4'-C1'-N19 117.548 9.348 . 0.128 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.849 1 O4'-C1'-N19 115.029 6.829 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 2 C3'-C2'-C1' 107.05 6.166 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.564 1 O4'-C1'-N19 114.602 6.402 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.056 2 C4'-C3'-C2' 97.623 -5.077 . 0.765 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 1 C5'-C4'-O4' 116.068 4.906 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.31 142.34 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 O-C-N 117.613 -3.179 . . . . 0.0 111.326 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -128.92 141.57 51.23 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 169.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.1 m -69.11 131.21 44.62 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 123.227 1.489 . . . . 0.0 113.128 166.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -156.33 130.18 8.45 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.725 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.1 mttt 56.83 46.06 20.48 Favored 'General case' 0 N--CA 1.445 -0.713 0 O-C-N 126.696 2.498 . . . . 0.0 109.981 171.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.39 29.55 73.11 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 130.696 3.998 . . . . 0.0 117.304 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -152.46 159.85 43.31 Favored 'General case' 0 N--CA 1.449 -0.476 1 O-C-N 116.193 -4.122 . . . . 0.0 105.236 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -81.26 152.39 27.64 Favored 'General case' 0 N--CA 1.452 -0.331 1 O-C-N 115.132 -4.73 . . . . 0.0 113.049 160.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.598 HG22 " H1'" ' B' ' 33' ' ' ' G' . 1.3 pt -153.92 141.07 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 O-C-N 127.208 2.817 . . . . 0.0 111.172 -173.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 -70.26 136.33 49.79 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 128.259 2.624 . . . . 0.0 114.685 -171.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.302 33.8 pt -122.38 78.07 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 128.772 2.829 . . . . 0.0 110.98 163.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -1.532 0 CA-C-O 113.23 -2.904 . . . . 0.0 114.991 169.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.625 0 C5'-C4'-O4' 114.712 3.937 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.452 " H2'" ' C6 ' ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.156 6 O4'-C1'-N19 115.684 7.484 . 0.473 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.452 ' C6 ' " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.402 -4.218 5 O4'-C1'-N19 114.578 6.378 . 0.639 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.707 2 N19-C1'-C2' 103.827 -5.983 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 3 O4'-C1'-N19 114.493 6.293 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 1 C4'-C3'-C2' 96.743 -5.957 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.749 2 O5'-C5'-C4' 117.223 5.016 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.128 3 N19-C1'-C2' 100.61 -7.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 3 C4'-C3'-C2' 94.196 -8.504 . 0.178 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.592 3 C5'-C4'-O4' 119.677 7.484 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.726 4 O5'-C5'-C4' 121.411 8.008 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.836 2 O4'-C1'-N19 118.212 10.012 . 0.191 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 3 C5'-C4'-O4' 117.977 6.269 . 0.291 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.964 3 C3'-C2'-C1' 97.238 -4.736 . 0.224 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.724 2 O4'-C1'-N19 116.864 8.664 . 0.023 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.594 2 C3'-C2'-C1' 94.7 -7.556 . 0.091 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . 0.598 " H1'" HG22 ' A' ' 10' ' ' ILE . . . . . . . . 0 O4'--C4' 1.41 -3.565 4 O4'-C1'-N19 113.919 5.719 . 0.232 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.638 4 O4'-C1'-C2' 114.255 5.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.188 2 C1'-O4'-C4' 114.807 5.786 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 0 C5'-C4'-C3' 110.902 -3.066 . 0.359 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 2 C4'-C3'-C2' 95.112 -7.588 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.865 1 N19-C1'-C2' 104.985 -5.26 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.082 2 C5'-C4'-C3' 104.549 -7.301 . 0.67 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.723 2 C4'-C3'-C2' 96.044 -6.656 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.618 5 O4'-C1'-N19 114.28 6.08 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.674 1 C5'-C4'-O4' 116.201 5.0 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.844 2 O4'-C1'-N19 116.653 8.453 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 1 O5'-C5'-C4' 118.066 5.619 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.532 0 C5'-C4'-C3' 110.576 -3.283 . 0.333 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 . . . . . 0 N--CA 1.442 -0.854 0 CA-C-O 123.958 1.837 . . . . 0.0 115.946 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.9 t -143.3 120.63 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 O-C-N 118.551 -2.593 . . . . 0.0 107.95 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -158.29 171.3 20.44 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 121.295 1.862 . . . . 0.0 114.688 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m -86.28 137.63 32.46 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.258 165.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -158.16 112.13 2.51 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 120.236 1.38 . . . . 0.0 109.722 -173.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt 45.37 72.51 0.21 Allowed 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 124.885 2.279 . . . . 0.0 113.899 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.96 -19.85 2.02 Favored Glycine 0 C--N 1.341 0.854 0 O-C-N 119.475 -2.016 . . . . 0.0 117.784 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -134.08 171.7 13.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 O-C-N 116.416 -3.991 . . . . 0.0 117.41 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -87.77 134.43 33.68 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 129.809 3.243 . . . . 0.0 107.759 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 pt -130.0 152.33 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 129.259 3.024 . . . . 0.0 109.053 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 mtt85 -122.99 113.89 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 125.158 1.383 . . . . 0.0 110.075 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' HA ' ' HD2' ' A' ' 13' ' ' DPR . 2.8 pt -133.4 84.75 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 C-N-CA 130.682 3.593 . . . . 0.0 113.707 -168.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . 0.413 ' HD2' ' HA ' ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.457 -0.653 0 C-N-CA 124.656 3.571 . . . . 0.0 114.25 170.369 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.71 2 O5'-C5'-C4' 118.392 5.852 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 2 C5'-C4'-O4' 115.756 4.683 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.648 2 P-O3'-C3' 125.042 4.451 . 0.019 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.506 1 C4'-C3'-C2' 96.281 -6.419 . 0.336 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.706 4 C5'-C4'-O4' 116.153 4.966 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 C5'-C4'-O4' 115.944 4.817 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.798 7 O4'-C1'-N19 116.892 8.692 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.874 0 C3'-C2'-O2' 107.55 -1.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.9 4 C4'-C3'-C2' 96.997 -5.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.783 0 C5'-C4'-C3' 120.566 3.377 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 2 N19-C1'-C2' 102.478 -6.826 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 2 C5'-C4'-O4' 119.629 7.449 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 4 C5'-C4'-C3' 122.827 4.885 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 4 C4'-C3'-C2' 97.449 -5.251 . 0.077 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 3 C3'-C2'-C1' 108.074 7.304 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.545 2 O4'-C1'-N19 115.014 6.814 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 2 C4'-C3'-C2' 108.787 6.087 . 0.195 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.483 2 O4'-C1'-N19 114.903 6.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 C3'-C2'-C1' 96.642 -5.397 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.882 2 C5'-C4'-O4' 117.265 5.76 . 0.1 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.355 2 P-O3'-C3' 125.855 5.129 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 5 C4'-C3'-C2' 95.719 -6.981 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.104 3 O4'-C1'-N19 113.698 5.498 . 0.215 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.424 3 C4'-C3'-C2' 97.531 -5.169 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.452 0 P-O3'-C3' 123.995 3.579 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.624 3 N19-C1'-C2' 104.969 -5.269 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.597 3 O5'-C5'-C4' 120.013 7.009 . 0.051 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.714 2 C4'-C3'-C2' 97.549 -5.151 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.152 4 C5'-C4'-O4' 118.596 6.711 . 0.78 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 . . . . . 0 N--CA 1.45 -0.457 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.69 163.3 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 C-N-CA 127.551 2.341 . . . . 0.0 113.172 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -160.75 141.62 11.69 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.925 -2.25 . . . . 0.0 104.925 -169.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.1 130.72 35.5 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 119.797 -1.814 . . . . 0.0 108.972 168.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -150.44 129.11 12.32 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.567 1.547 . . . . 0.0 108.479 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . 0.424 87.5 mttt 62.39 28.38 16.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 168.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.44 -14.77 63.88 Favored Glycine 0 C--N 1.336 0.534 0 CA-C-O 115.592 -2.782 . . . . 0.0 116.541 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.68 161.28 35.57 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 120.43 2.115 . . . . 0.0 116.301 -173.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -76.27 133.82 39.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 120.295 1.407 . . . . 0.0 114.747 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.4 tt -122.9 143.53 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 C-N-CA 126.041 1.736 . . . . 0.0 109.849 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.435 34.1 ttm-85 -82.27 143.58 31.23 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 167.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.896 HG22 " H1'" ' B' ' 35' ' ' ' A' . 4.3 pt -137.36 72.5 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 111.667 -2.515 . . . . 0.0 113.998 -172.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo . . . . . 0 N--CA 1.458 -0.596 0 N-CA-C 120.822 3.354 . . . . 0.0 120.822 179.003 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.316 3 O5'-C5'-C4' 118.889 6.207 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.509 1 C4'-C3'-C2' 97.88 -4.82 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 1 C5'-C4'-O4' 119.048 7.034 . 0.298 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 3 O4'-C1'-N19 118.747 10.547 . 0.238 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.316 1 N19-C1'-C2' 106.788 -4.133 . 0.659 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.476 3 O4'-C1'-N19 114.44 6.24 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.664 3 O4'-C1'-N19 117.097 8.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 2 P-O3'-C3' 127.181 6.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.585 0 O3'-P-O5' 111.179 3.778 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.993 1 C5'-C4'-C3' 106.506 -5.996 . 0.0 OUTLIER '7D dist 3d' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.765 1 O4'-C1'-N19 114.726 6.526 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . 0.501 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.41 -3.586 1 N19-C1'-C2' 105.735 -4.791 . 0.175 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.501 ' C6 ' " H2'" ' B' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.345 3 O4'-C1'-N19 117.488 9.288 . 0.248 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.566 4 O4'-C1'-N19 117.627 9.427 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.301 1 C5'-C4'-C3' 107.532 -5.312 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 4 O4'-C1'-N19 115.606 7.406 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 2 C1'-O4'-C4' 102.952 -7.387 . 0.036 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.789 1 O4'-C1'-N19 112.327 4.127 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . 0.896 " H1'" HG22 ' A' ' 12' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.37 3 O4'-C1'-N19 113.836 5.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.717 3 C5'-C4'-O4' 119.163 7.116 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.616 5 O4'-C1'-N19 116.499 8.299 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.756 5 O4'-C1'-N19 120.08 11.88 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 2 O4'-C1'-N19 115.103 6.903 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 4 C3'-C2'-C1' 107.607 6.786 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.357 1 P-O3'-C3' 124.516 4.014 . 0.532 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.388 4 O4'-C1'-N19 114.084 5.884 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.509 6 C4'-C3'-C2' 95.379 -7.321 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.514 3 O4'-C1'-N19 117.461 9.261 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.549 3 O4'-C4'-C3' 98.001 -5.356 . 0.147 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -82.42 153.75 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 116.993 -3.567 . . . . 0.0 110.302 162.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -144.16 170.22 16.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 123.369 1.557 . . . . 0.0 108.558 165.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.516 HG21 ' C6 ' ' B' ' 24' ' ' ' C' . 24.5 m -111.56 133.26 53.95 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 117.088 -3.507 . . . . 0.0 112.736 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -126.31 119.27 26.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 111.512 -2.585 . . . . 0.0 109.7 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 76.4 mttt 26.7 73.57 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 120.384 3.476 . . . . 0.0 120.384 -171.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.07 -11.69 0.47 Allowed Glycine 0 C--N 1.339 0.735 0 N-CA-C 116.158 1.223 . . . . 0.0 116.158 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -99.92 132.71 45.1 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.047 -1.266 . . . . 0.0 112.527 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -91.64 130.07 37.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 125.323 2.487 . . . . 0.0 105.841 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.5 pt -119.6 149.57 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 108.695 -3.866 . . . . 0.0 108.995 -172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -118.98 107.09 13.11 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.252 35.5 mm -122.25 93.18 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 C-N-CA 126.449 1.899 . . . . 0.0 112.939 -158.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo . . . . . 0 N--CA 1.449 -1.128 0 C-N-CA 124.49 3.46 . . . . 0.0 120.251 179.306 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.587 1 C4'-C3'-C2' 95.985 -6.715 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 2 C5'-C4'-C3' 107.043 -5.638 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . 0.526 " H2'" " O4'" ' B' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.674 4 O4'-C4'-C3' 98.355 -5.103 . 0.494 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . 0.526 " O4'" " H2'" ' B' ' 19' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.069 2 C4'-C3'-C2' 96.075 -6.625 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 5 C3'-C2'-C1' 107.742 6.936 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.542 2 O3'-P-O5' 94.543 -4.978 . 0.529 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.606 4 O4'-C1'-N19 118.197 9.997 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.516 ' C6 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . 1 O4'--C4' 1.405 -4.007 4 C4'-C3'-C2' 93.414 -9.286 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 O4'-C1'-N19 112.098 3.898 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.38 1 O5'-C5'-C4' 121.35 7.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.035 1 O3'-P-O5' 112.069 4.247 . 0.369 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.383 2 C5'-C4'-O4' 118.935 6.954 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 3 C5'-C4'-C3' 108.446 -4.702 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.235 2 N19-C1'-C2' 120.674 4.546 . 0.171 5r . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.886 5 O4'-C1'-N19 115.542 7.342 . 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.448 2 O4'-C1'-N19 116.255 8.055 . 0.035 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.725 2 O5'-C5'-C4' 118.43 5.879 . 0.142 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.239 3 O3'-P-O5' 114.349 5.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 6 O5'-C5'-C4' 121.736 8.24 . 0.42 8d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.488 5 C5'-C4'-O4' 118.617 6.726 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 4 O4'-C1'-N19 115.607 7.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.85 1 O4'-C1'-N19 113.513 5.313 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 C4'-C3'-O3' 122.445 4.556 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.75 1 C3'-C2'-C1' 97.502 -4.442 . 0.278 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.602 3 O4'-C1'-N19 114.366 6.166 . 0.02 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 1 C5'-C4'-C3' 108.413 -4.725 . 0.335 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 1 O4'-C1'-N19 114.454 6.254 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.73 3 C5'-C4'-O4' 119.611 7.436 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.612 2 O4'-C1'-N19 114.189 5.989 . 0.209 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.079 -0.962 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 t -144.35 140.17 24.28 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 120.274 1.397 . . . . 0.0 112.517 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -142.71 158.18 43.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 146.74 32.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 115.784 -2.055 . . . . 0.0 109.886 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -158.08 138.76 12.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 127.97 2.508 . . . . 0.0 109.326 170.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 52.74 22.64 2.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 126.782 2.033 . . . . 0.0 112.534 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.37 11.94 63.75 Favored Glycine 0 N--CA 1.444 -0.779 0 O-C-N 124.312 1.008 . . . . 0.0 114.86 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -129.53 159.19 37.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 118.844 1.322 . . . . 0.0 113.695 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -85.56 124.37 32.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 116.647 -3.783 . . . . 0.0 120.756 169.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -110.87 149.2 13.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -67.51 141.22 56.98 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 128.283 2.633 . . . . 0.0 107.914 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 pt -135.65 85.94 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-O 125.164 2.411 . . . . 0.0 108.411 165.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 N--CA 1.455 -0.788 1 C-N-CA 125.312 4.008 . . . . 0.0 112.792 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.39 0 N19-C1'-C2' 119.778 3.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.971 2 P-O5'-C5' 127.733 4.271 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.533 5 O4'-C1'-N19 115.136 6.936 . 0.036 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.691 1 O5'-C5'-C4' 116.465 4.475 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.241 2 C5'-C4'-O4' 123.576 10.269 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.453 3 C3'-C2'-C1' 94.526 -7.749 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.31 4 O4'-C1'-N19 117.649 9.449 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.563 4 O4'-C1'-N19 117.977 9.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.446 1 C5'-C4'-O4' 117.188 5.706 . 0.335 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.673 1 O4'-C1'-N19 112.827 4.627 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.119 3 C1'-O4'-C4' 102.113 -8.319 . 0.645 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.581 1 C1'-O4'-C4' 105.475 -4.584 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.402 -4.224 3 C4'-C3'-C2' 98.229 -4.471 . 0.54 1a . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 113.373 5.173 . 0.015 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.776 4 C1'-O4'-C4' 102.43 -7.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.74 2 C5'-C4'-C3' 106.663 -5.891 . 0.0 OUTLIER '7D dist 0b' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.805 2 C4'-C3'-C2' 98.206 -4.494 . 0.02 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.636 1 O4'-C1'-N19 113.032 4.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.93 4 P-O3'-C3' 126.846 5.955 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.089 1 C4'-C3'-C2' 97.562 -5.138 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 3 C4'-C3'-C2' 96.784 -5.916 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 4 O4'-C1'-N19 115.345 7.145 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.36 3 C5'-C4'-O4' 117.132 5.666 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 2 O4'-C1'-N19 116.167 7.967 . 0.223 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 3 C1'-O4'-C4' 113.408 4.231 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.763 0 C5'-C4'-C3' 110.32 -3.453 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.699 2 C3'-C2'-C1' 95.012 -7.208 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 0 O4'-C4'-C3' 100.028 -3.909 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 C3'-C2'-C1' 104.74 3.6 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_