data_484d_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 484d _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 ' 45' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.945 0.879 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -91.93 104.68 17.07 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -85.52 79.87 9.26 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 103.073 -2.936 . . . . 0.0 103.073 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 . . . . . 0 C--N 1.38 1.929 0 C-N-CA 131.115 3.766 . . . . 0.0 112.228 -176.199 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 . . . . . 0 C--O 1.237 0.415 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -87.28 105.69 17.41 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 102.057 -3.312 . . . . 0.0 102.057 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.77 85.69 5.42 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.368 3.3 tpp85 . . . . . 0 C--N 1.37 1.464 0 C-N-CA 130.518 3.527 . . . . 0.0 113.828 -173.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -100.37 116.09 31.51 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 102.286 -3.228 . . . . 0.0 102.286 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.27 81.51 8.13 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.324 18.8 tpt180 . . . . . 0 C--N 1.375 1.701 0 C-N-CA 130.76 3.624 . . . . 0.0 112.947 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 122.172 0.987 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttm105 -93.51 110.2 21.78 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -85.48 83.0 8.06 Favored 'General case' 0 C--N 1.372 1.549 0 N-CA-C 101.443 -3.54 . . . . 0.0 101.443 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.362 10.4 tpt180 . . . . . 0 C--N 1.367 1.338 0 C-N-CA 131.256 3.823 . . . . 0.0 114.72 -173.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 . . . . . 0 C--O 1.237 0.412 0 CA-C-O 122.843 1.306 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -100.36 104.5 15.94 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.87 77.87 10.01 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 102.036 -3.32 . . . . 0.0 102.036 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.333 22.1 mmm180 . . . . . 0 C--N 1.375 1.685 1 C-N-CA 131.974 4.11 . . . . 0.0 114.956 -174.097 . . . . . . . . 2 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 . . . . . 0 C--O 1.235 0.302 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -101.76 115.91 31.57 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 102.964 -2.976 . . . . 0.0 102.964 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.72 83.95 5.61 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 101.957 -3.349 . . . . 0.0 101.957 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.334 15.9 tpt180 . . . . . 0 C--N 1.377 1.774 0 C-N-CA 131.274 3.83 . . . . 0.0 114.209 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 . . . . . 0 C--O 1.238 0.471 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -88.88 122.2 32.02 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 102.737 -3.06 . . . . 0.0 102.737 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.23 74.8 10.38 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 102.403 -3.184 . . . . 0.0 102.403 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 . . . . . 0 C--N 1.375 1.715 0 C-N-CA 129.836 3.254 . . . . 0.0 111.298 -173.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 . . . . . 0 C--O 1.236 0.367 0 CA-C-O 121.959 0.885 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.61 117.34 29.87 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 104.096 -2.557 . . . . 0.0 104.096 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -85.27 80.99 8.98 Favored 'General case' 0 C--N 1.373 1.605 0 N-CA-C 103.252 -2.869 . . . . 0.0 103.252 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 2.7 tpt180 . . . . . 0 C--N 1.372 1.561 0 C-N-CA 130.11 3.364 . . . . 0.0 111.589 -175.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.739 0.781 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -83.63 111.79 19.44 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.266 -2.494 . . . . 0.0 104.266 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -82.47 82.11 8.03 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.251 20.3 tpt180 . . . . . 0 C--N 1.374 1.642 0 C-N-CA 130.828 3.651 . . . . 0.0 113.162 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -88.37 107.0 18.61 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 102.618 -3.104 . . . . 0.0 102.618 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.79 79.78 9.49 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.261 18.0 mmm180 . . . . . 0 C--N 1.377 1.798 0 C-N-CA 130.644 3.577 . . . . 0.0 112.547 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -90.07 101.92 14.63 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 101.875 -3.38 . . . . 0.0 101.875 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -83.54 78.46 9.66 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 . . . . . 0 C--N 1.373 1.619 0 C-N-CA 131.546 3.938 . . . . 0.0 113.127 -175.871 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 121.62 0.724 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.529 HH21 ' HD2' ' A' ' 48' ' ' ARG . 16.7 ttp-105 -89.57 108.87 19.92 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -83.57 89.9 7.17 Favored 'General case' 0 C--N 1.368 1.413 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.529 ' HD2' HH21 ' A' ' 46' ' ' ARG 0.265 7.4 tpt180 . . . . . 0 C--N 1.365 1.267 0 C-N-CA 131.436 3.895 . . . . 0.0 116.528 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 122.023 0.916 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -89.96 126.34 35.7 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.99 83.34 6.73 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 102.434 -3.173 . . . . 0.0 102.434 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.386 7.2 tpt180 . . . . . 0 C--N 1.372 1.558 0 C-N-CA 130.748 3.619 . . . . 0.0 113.544 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -99.06 118.76 36.54 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -79.54 86.92 5.15 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.433 31.9 tpt85 . . . . . 0 C--N 1.373 1.607 0 C-N-CA 130.201 3.4 . . . . 0.0 113.946 -171.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 . . . . . 0 C--O 1.235 0.312 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 ttt85 -95.42 100.82 12.53 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.04 85.04 5.67 Favored 'General case' 0 C--N 1.377 1.801 0 N-CA-C 102.93 -2.989 . . . . 0.0 102.93 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.379 5.5 tpt180 . . . . . 0 C--N 1.368 1.388 0 C-N-CA 131.477 3.911 . . . . 0.0 114.893 -173.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -87.21 112.95 22.51 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -89.8 65.18 6.68 Favored 'General case' 0 C--N 1.368 1.402 0 N-CA-C 103.048 -2.945 . . . . 0.0 103.048 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.404 7.0 tpt180 . . . . . 0 C--N 1.371 1.515 0 C-N-CA 131.516 3.926 . . . . 0.0 114.572 -173.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 . . . . . 0 C--O 1.237 0.446 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -80.82 118.67 22.54 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.66 80.46 9.0 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 100.988 -3.708 . . . . 0.0 100.988 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.361 5.6 tpt180 . . . . . 0 C--N 1.371 1.525 0 C-N-CA 130.166 3.386 . . . . 0.0 113.462 -172.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 . . . . . 0 C--O 1.239 0.528 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -86.52 108.7 18.67 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -84.64 74.45 10.42 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.975 -2.231 . . . . 0.0 104.975 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 . . . . . 0 C--N 1.373 1.597 0 C-N-CA 130.256 3.422 . . . . 0.0 112.538 -176.211 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 122.442 1.115 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -99.76 121.13 40.8 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 102.945 -2.983 . . . . 0.0 102.945 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -82.28 75.94 9.18 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.368 1.387 0 C-N-CA 128.858 2.863 . . . . 0.0 114.841 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 . . . . . 0 C--O 1.238 0.452 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -93.1 106.7 18.62 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 101.845 -3.391 . . . . 0.0 101.845 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.17 80.29 9.11 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 103.005 -2.961 . . . . 0.0 103.005 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 13.3 tpt180 . . . . . 0 C--N 1.374 1.64 0 C-N-CA 131.19 3.796 . . . . 0.0 112.708 -174.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.971 0.891 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -93.55 105.1 17.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 128.61 2.764 . . . . 0.0 103.634 177.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.81 84.89 6.74 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 178.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.265 17.6 tpt180 . . . . . 0 C--N 1.368 1.402 1 C-N-CA 131.73 4.012 . . . . 0.0 114.417 -176.439 . . . . . . . . 2 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 . . . . . 0 N--CA 1.465 0.31 0 CA-C-O 122.21 1.005 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -91.9 113.66 25.98 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 178.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -84.35 77.49 9.98 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 102.772 -3.048 . . . . 0.0 102.772 177.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.357 4.8 tpm_? . . . . . 0 C--N 1.375 1.71 1 C-N-CA 131.87 4.068 . . . . 0.0 112.733 -173.977 . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -80.24 89.58 5.49 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.747 2.019 . . . . 0.0 107.063 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -101.32 -66.19 0.93 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 126.759 2.024 . . . . 0.0 109.062 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -30.87 71.56 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 126.719 2.008 . . . . 0.0 115.252 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -61.25 -50.72 71.93 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.25 2.22 . . . . 0.0 111.388 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -58.55 3.21 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 127.49 2.316 . . . . 0.0 111.175 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -65.15 127.67 32.63 Favored 'General case' 0 C--N 1.375 1.686 0 C-N-CA 125.365 1.466 . . . . 0.0 110.433 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -115.82 153.68 31.04 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 125.98 1.712 . . . . 0.0 110.181 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -74.08 -113.55 0.01 OUTLIER 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.172 2.189 . . . . 0.0 109.911 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.85 123.99 34.15 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 119.908 1.231 . . . . 0.0 108.836 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -163.06 119.64 1.85 Allowed 'General case' 0 C--N 1.364 1.198 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -94.23 134.53 36.59 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 126.07 1.748 . . . . 0.0 108.976 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -91.93 104.68 17.07 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -85.52 79.87 9.26 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 103.073 -2.936 . . . . 0.0 103.073 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 12.93 70.57 0.01 OUTLIER 'General case' 0 C--N 1.38 1.929 0 C-N-CA 131.115 3.766 . . . . 0.0 112.228 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.328 50.8 mt-30 -59.89 -57.14 14.16 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 126.082 1.753 . . . . 0.0 115.62 -175.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? . . . . . 0 C--O 1.263 1.786 0 C-N-CA 128.589 2.756 . . . . 0.0 106.8 -179.646 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.344 0 O4'-C1'-N19 110.854 2.654 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.496 0 O4'-C1'-N19 110.531 2.331 . 0.957 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.63 ' H3 ' ' H61' ' B' ' 25' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.548 2.919 0 O4'-C1'-N19 112.154 3.954 . 0.944 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 0 O4'-C1'-N19 110.958 2.758 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.132 1 O4'-C1'-N19 112.89 4.69 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 1 O4'-C1'-N19 113.419 5.219 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.421 0 O4'-C1'-N19 111.458 3.258 . 0.341 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.568 3.993 0 C4'-C3'-O3' 118.118 2.891 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.579 -2.37 1 P-O3'-C3' 134.844 12.62 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.838 0 O4'-C1'-N19 111.36 3.16 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.857 0 O4'-C1'-N19 112.173 3.973 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.138 0 O5'-C5'-C4' 113.224 2.16 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.97 1 P-O3'-C3' 126.616 5.764 . 0.228 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.47 1 P-O3'-C3' 129.506 8.172 . 0.01 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.647 0 P-O3'-C3' 124.363 3.886 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.744 1 O4'-C1'-N19 113.193 4.993 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.097 1 P-O3'-C3' 124.608 4.09 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.641 1 O4'-C1'-N19 112.946 4.746 . 0.493 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.205 1 O4'-C1'-N19 112.923 4.723 . 0.337 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.37 2 O4'-C1'-N19 112.884 4.684 . 0.094 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.988 0 C3'-C2'-C1' 103.757 2.508 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.571 0 P-O3'-C3' 123.081 2.818 . 0.727 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.455 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.968 0 P-O3'-C3' 123.468 3.14 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.455 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.549 2.993 0 O4'-C1'-N19 111.555 3.355 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.63 ' H61' ' H3 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.499 0 O4'-C1'-N19 111.97 3.77 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.024 1 O4'-C1'-N19 112.58 4.38 . 0.874 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 1 O4'-C1'-N19 112.334 4.134 . 0.898 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.9 mmt-85 -149.4 131.6 15.46 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 126.596 1.958 . . . . 0.0 107.288 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -62.46 -16.8 57.37 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.079 2.152 . . . . 0.0 114.82 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.12 116.01 3.62 Favored 'General case' 0 C--N 1.367 1.353 0 C-N-CA 128.372 2.669 . . . . 0.0 104.533 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -71.01 117.7 12.84 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 124.46 1.104 . . . . 0.0 112.102 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.24 126.62 52.66 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 126.762 2.025 . . . . 0.0 108.988 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.43 116.32 0.15 Allowed 'General case' 0 C--N 1.373 1.617 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -76.34 119.89 20.85 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 124.803 1.241 . . . . 0.0 111.088 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -79.98 -88.21 0.07 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 126.359 1.864 . . . . 0.0 109.923 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.35 122.35 39.65 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.763 0.825 . . . . 0.0 112.077 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.2 115.0 0.02 OUTLIER 'General case' 0 C--N 1.373 1.594 0 C-N-CA 127.855 2.462 . . . . 0.0 105.536 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -81.44 112.64 18.88 Favored 'General case' 0 C--N 1.376 1.733 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -87.28 105.69 17.41 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 102.057 -3.312 . . . . 0.0 102.057 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.77 85.69 5.42 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.368 3.3 tpp85 14.97 71.7 0.01 OUTLIER 'General case' 0 C--N 1.37 1.464 0 C-N-CA 130.518 3.527 . . . . 0.0 113.828 -173.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.285 45.4 tt0 108.33 110.35 0.01 OUTLIER 'General case' 0 C--N 1.371 1.525 1 C-N-CA 132.131 4.172 . . . . 0.0 106.357 -178.309 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 . . . . . 0 C--O 1.261 1.661 0 C-N-CA 128.177 2.591 . . . . 0.0 109.669 -179.439 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 O4'-C1'-N19 110.307 2.107 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 P-O3'-C3' 123.755 3.38 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.972 1 O4'-C1'-N19 113.094 4.894 . 0.846 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.103 1 O4'-C1'-N19 112.6 4.4 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.853 1 O4'-C1'-N19 113.441 5.241 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.449 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.541 1 O4'-C1'-N19 113.994 5.794 . 0.75 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.449 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.56 3.83 1 O4'-C1'-N19 112.456 4.256 . 0.322 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.946 1 P-O3'-C3' 125.34 4.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.757 1 P-O3'-C3' 125.415 4.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.551 2.329 0 P-O3'-C3' 124.15 3.708 . 0.775 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.325 1 P-O3'-C3' 124.531 4.026 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.777 0 O4'-C1'-N19 111.528 3.328 . 0.458 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.699 0 P-O3'-C3' 123.586 3.238 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.588 0 O4'-C1'-N19 111.351 3.151 . 0.17 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.56 3.17 1 P-O3'-C3' 125.508 4.84 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.909 1 C3'-C2'-C1' 106.454 5.505 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.239 0 P-O3'-C3' 123.552 3.21 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.56 0 P-O3'-C3' 124.37 3.892 . 0.145 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.959 1 O4'-C1'-N19 112.637 4.437 . 0.077 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.562 3.383 1 P-O3'-C3' 124.752 4.21 . 0.155 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.429 0 O4'-C1'-N19 111.435 3.235 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.888 0 O4'-C1'-N19 111.037 2.837 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.441 HO2' " H5'" ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.888 0 P-O3'-C3' 123.078 2.815 . 0.876 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.441 " H5'" HO2' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.548 2.891 1 O4'-C1'-N19 112.334 4.134 . 0.93 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.685 0 O4'-C1'-N19 111.5 3.3 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.953 1 O4'-C1'-N19 112.5 4.3 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.851 0 O4'-C1'-N19 112.138 3.938 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HB3' ' C8 ' ' B' ' 23' ' ' ' A' . 0.0 OUTLIER -115.99 63.42 0.7 Allowed 'General case' 0 C--N 1.364 1.237 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 178.521 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -171.8 156.22 4.16 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.394 2.677 . . . . 0.0 109.627 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.39 148.9 23.24 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.313 2.245 . . . . 0.0 110.573 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.71 -58.45 1.96 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.81 2.044 . . . . 0.0 109.988 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -87.25 164.92 16.04 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 128.413 2.685 . . . . 0.0 110.053 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -55.31 121.62 9.31 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 127.056 2.143 . . . . 0.0 109.823 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -86.48 -76.82 0.34 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.4 1.88 . . . . 0.0 108.603 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.12 138.11 38.59 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 125.997 1.719 . . . . 0.0 109.383 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -95.63 98.32 10.4 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -134.79 137.04 43.01 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.387 1.875 . . . . 0.0 109.644 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -83.33 127.66 33.85 Favored 'General case' 0 C--N 1.369 1.445 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -100.37 116.09 31.51 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 102.286 -3.228 . . . . 0.0 102.286 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.27 81.51 8.13 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.324 18.8 tpt180 19.49 77.43 0.01 OUTLIER 'General case' 0 C--N 1.375 1.701 0 C-N-CA 130.76 3.624 . . . . 0.0 112.947 -173.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.254 60.7 tp60 95.46 115.09 0.02 OUTLIER 'General case' 0 C--N 1.374 1.662 0 C-N-CA 130.662 3.585 . . . . 0.0 107.123 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.3 tpt85 . . . . . 0 C--O 1.262 1.719 0 C-N-CA 125.599 1.56 . . . . 0.0 107.741 179.308 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.256 0 O4'-C1'-N19 110.246 2.046 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.749 0 P-O3'-C3' 123.24 2.95 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.629 0 O4'-C1'-N19 112.045 3.845 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.414 HO2' " H5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.618 0 O4'-C1'-N19 111.47 3.27 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.414 " H5'" HO2' ' B' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.005 1 O4'-C1'-N19 113.354 5.154 . 0.714 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.918 1 O4'-C1'-N19 113.292 5.092 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 1 O4'-C1'-N19 112.715 4.515 . 0.741 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 3.116 1 P-O3'-C3' 125.689 4.991 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.761 1 P-O3'-C3' 138.76 15.883 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.195 0 O4'-C1'-N19 111.602 3.402 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.57 0 O4'-C1'-N19 111.333 3.133 . 0.489 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.619 0 O4'-C1'-N19 111.119 2.919 . 0.466 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.9 0 P-O3'-C3' 124.116 3.68 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . 0.429 " H1'" ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.623 1 P-O3'-C3' 125.585 4.904 . 0.017 0i . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 2.551 0 P-O3'-C3' 123.856 3.463 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.046 0 O4'-C1'-N19 111.755 3.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.429 ' C5 ' " H1'" ' B' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.778 1 P-O3'-C3' 124.57 4.058 . 0.065 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.553 2.546 1 P-O3'-C3' 125.14 4.533 . 0.129 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.724 0 O4'-C1'-N19 111.925 3.725 . 0.482 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 2.969 0 C3'-C2'-C1' 104.875 3.751 . 0.636 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.463 1 O4'-C1'-N19 112.706 4.506 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.846 0 OP1-P-OP2 115.854 -2.497 . 0.451 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.403 ' C8 ' ' HB3' ' A' ' 35' ' ' ARG . . . . . . . . 0 C5'--C4' 1.547 2.832 0 P-O3'-C3' 123.318 3.015 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.841 1 O4'-C1'-N19 112.477 4.277 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.702 0 P-O3'-C3' 123.024 2.77 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.764 1 O4'-C1'-N19 112.787 4.587 . 0.881 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 0 O4'-C1'-N19 112.047 3.847 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 N--CA 1.496 1.836 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -143.86 120.49 11.12 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.068 2.547 . . . . 0.0 104.784 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -64.31 148.82 49.44 Favored 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 128.225 2.61 . . . . 0.0 112.012 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.15 -70.94 0.77 Allowed 'General case' 0 C--N 1.349 0.571 0 C-N-CA 127.269 2.228 . . . . 0.0 109.528 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 125.91 28.66 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 125.957 1.703 . . . . 0.0 109.209 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.09 141.25 44.19 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 126.914 2.086 . . . . 0.0 109.0 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -158.19 -66.55 0.09 Allowed 'General case' 0 C--N 1.368 1.394 0 N-CA-C 104.478 -2.415 . . . . 0.0 104.478 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . 0.254 0.8 OUTLIER 74.98 136.05 0.06 Allowed 'General case' 0 C--N 1.379 1.856 0 C-N-CA 129.148 2.979 . . . . 0.0 112.686 178.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -65.2 174.54 2.0 Allowed 'General case' 0 C--N 1.364 1.23 0 C-N-CA 128.552 2.741 . . . . 0.0 113.328 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -89.72 115.63 27.23 Favored 'General case' 0 C--N 1.37 1.476 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.44 113.44 9.82 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 101.812 -3.403 . . . . 0.0 101.812 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -62.81 121.92 14.64 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-O 122.172 0.987 . . . . 0.0 109.614 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.643 ' HA ' ' H21' ' B' ' 9' ' ' ' G' . 19.2 ttm105 -93.51 110.2 21.78 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -85.48 83.0 8.06 Favored 'General case' 0 C--N 1.372 1.549 0 N-CA-C 101.443 -3.54 . . . . 0.0 101.443 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.362 10.4 tpt180 13.77 75.74 0.01 OUTLIER 'General case' 0 C--N 1.367 1.338 0 C-N-CA 131.256 3.823 . . . . 0.0 114.72 -173.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.407 1.0 OUTLIER 49.56 98.22 0.01 OUTLIER 'General case' 0 C--N 1.368 1.408 0 C-N-CA 131.334 3.854 . . . . 0.0 116.649 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? . . . . . 0 C--O 1.262 1.744 0 C-N-CA 127.598 2.359 . . . . 0.0 105.011 176.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.166 0 O4'-C1'-N19 110.437 2.237 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.635 0 O4'-C1'-N19 111.203 3.003 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 1 O4'-C1'-N19 112.806 4.606 . 0.881 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.621 0 P-O3'-C3' 122.923 2.686 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.91 1 O4'-C1'-N19 113.086 4.886 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.529 HO2' " H5'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.548 2.951 1 O4'-C1'-N19 114.298 6.098 . 0.471 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.529 " H5'" HO2' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.558 3.684 1 O4'-C1'-N19 112.926 4.726 . 0.659 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.56 3.175 0 C4'-C3'-C2' 106.03 3.33 . 0.619 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.643 ' H21' ' HA ' ' A' ' 46' ' ' ARG . . . . . . . . 0 C5'--C4' 1.546 2.75 0 P-O3'-C3' 123.592 3.244 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.58 -2.222 0 P-O3'-C3' 123.569 3.224 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.944 0 O4'-C1'-N19 110.733 2.533 . 0.781 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.496 0 O4'-C1'-N19 110.748 2.548 . 0.499 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.89 0 P-O3'-C3' 122.37 2.225 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.653 2 P-O3'-C3' 125.586 4.905 . 0.067 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.215 1 P-O3'-C3' 124.537 4.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.561 3.295 3 N19-C1'-C2' 120.425 4.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.463 0 N19-C1'-C2' 117.199 2.374 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.782 2 O4'-C1'-N19 113.614 5.414 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.2 2 O4'-C1'-N19 112.525 4.325 . 0.149 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.464 2 P-O3'-C3' 125.425 4.771 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.101 0 OP1-P-OP2 116.586 -2.009 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . 0.403 HO2' " H5'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.551 3.148 0 N19-C1'-C2' 119.493 3.808 . 0.174 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.522 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.838 0 P-O3'-C3' 122.626 2.438 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.522 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.88 0 O4'-C1'-N19 112.179 3.979 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.636 0 O4'-C1'-N19 111.483 3.283 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.001 1 O4'-C1'-N19 112.943 4.743 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.955 0 O4'-C1'-N19 112.19 3.99 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.49 -26.92 63.83 Favored 'General case' 0 C--N 1.369 1.42 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -177.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -85.3 -65.4 1.01 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 127.414 2.286 . . . . 0.0 108.334 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.43 128.04 56.2 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 125.728 1.611 . . . . 0.0 107.861 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.329 25.7 mmt180 80.02 54.97 0.02 OUTLIER 'General case' 0 C--N 1.364 1.198 0 C-N-CA 129.452 3.101 . . . . 0.0 110.899 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.1 ttp-105 -93.16 -67.72 0.84 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 129.018 2.927 . . . . 0.0 110.431 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -77.6 143.71 38.06 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 126.865 2.066 . . . . 0.0 112.081 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.05 162.09 26.13 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 126.721 2.009 . . . . 0.0 112.509 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.1 mtm105 -62.88 177.77 0.53 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.021 2.928 . . . . 0.0 113.542 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -84.01 97.17 9.13 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 103.172 -2.899 . . . . 0.0 103.172 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 ttp-105 -139.04 126.85 22.1 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.162 1.785 . . . . 0.0 107.894 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -82.04 132.97 35.26 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-O 122.843 1.306 . . . . 0.0 109.822 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.544 ' HA ' ' H1 ' ' B' ' 9' ' ' ' G' . 75.5 mtp180 -100.36 104.5 15.94 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.87 77.87 10.01 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 102.036 -3.32 . . . . 0.0 102.036 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.333 22.1 mmm180 3.19 70.96 0.0 OUTLIER 'General case' 0 C--N 1.375 1.685 1 C-N-CA 131.974 4.11 . . . . 0.0 114.956 -174.097 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 73.68 107.18 0.07 Allowed 'General case' 0 C--N 1.375 1.681 0 C-N-CA 128.432 2.693 . . . . 0.0 109.674 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 . . . . . 0 C--O 1.261 1.708 0 C-N-CA 126.812 2.045 . . . . 0.0 107.413 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.141 0 O4'-C1'-N19 110.641 2.441 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.55 3.052 0 O4'-C1'-N19 111.554 3.354 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.441 ' C6 ' " H2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 2.962 1 O4'-C1'-N19 112.692 4.492 . 0.862 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 0 O4'-C1'-N19 111.239 3.039 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.133 1 O4'-C1'-N19 113.474 5.274 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.751 1 O4'-C1'-N19 114.25 6.05 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.241 0 O4'-C1'-N19 111.912 3.712 . 0.137 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.565 3.69 0 C2'-C3'-O3' 120.037 3.227 OUTLIER-DELTA 0.0 OUTLIER '7D dist 2g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.544 ' H1 ' ' HA ' ' A' ' 46' ' ' ARG . . . . . . . . 0 P--O3' 1.571 -3.011 1 P-O3'-C3' 134.55 12.375 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.335 0 O4'-C1'-N19 112.136 3.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.095 0 O4'-C1'-N19 111.026 2.826 . 0.116 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.551 0 N19-C1'-C2' 117.877 2.798 . 0.693 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.556 0 P-O3'-C3' 123.691 3.326 . 0.391 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.73 1 P-O3'-C3' 132.0 10.25 . 0.123 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 2.686 0 P-O3'-C3' 123.189 2.907 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.368 1 O4'-C1'-N19 112.32 4.12 . 0.291 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.167 1 P-O3'-C3' 125.764 5.053 . 0.204 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.848 0 C3'-C2'-C1' 104.96 3.844 . 0.235 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.943 1 O4'-C1'-N19 113.313 5.113 . 0.351 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.861 1 O4'-C1'-N19 113.204 5.004 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.89 0 O4'-C1'-N19 111.04 2.84 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.586 0 N19-C1'-C2' 118.322 3.076 . 0.698 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.558 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.075 0 P-O3'-C3' 123.512 3.177 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.558 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.092 1 P-O3'-C3' 124.534 4.028 . 0.799 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.732 0 O4'-C1'-N19 110.994 2.794 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.157 1 O4'-C1'-N19 112.5 4.3 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.902 0 O4'-C1'-N19 111.984 3.784 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.501 2.122 0 CA-C-O 121.458 0.647 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 tpt85 -64.19 -48.84 74.37 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 127.118 2.167 . . . . 0.0 112.765 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -175.73 139.34 0.41 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 130.76 3.624 . . . . 0.0 108.956 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 72.71 162.4 0.26 Allowed 'General case' 0 C--N 1.366 1.308 0 C-N-CA 127.998 2.519 . . . . 0.0 114.152 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.346 50.5 ttt-85 77.58 -74.54 0.07 Allowed 'General case' 0 C--N 1.367 1.362 0 C-N-CA 130.459 3.504 . . . . 0.0 109.478 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -84.41 -65.53 1.0 Allowed 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.876 1.67 . . . . 0.0 110.41 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -92.11 115.98 28.54 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.087 1.755 . . . . 0.0 107.769 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -81.6 152.85 26.99 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 124.523 1.129 . . . . 0.0 111.271 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -74.19 -116.04 0.01 OUTLIER 'General case' 0 C--N 1.37 1.486 0 C-N-CA 127.875 2.47 . . . . 0.0 110.08 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -116.25 116.1 27.16 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -142.33 119.37 11.34 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 125.883 1.673 . . . . 0.0 109.815 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -112.76 127.28 56.1 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.803 1.641 . . . . 0.0 106.628 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -101.76 115.91 31.57 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 102.964 -2.976 . . . . 0.0 102.964 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.72 83.95 5.61 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 101.957 -3.349 . . . . 0.0 101.957 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.334 15.9 tpt180 8.05 71.6 0.01 OUTLIER 'General case' 0 C--N 1.377 1.774 0 C-N-CA 131.274 3.83 . . . . 0.0 114.209 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -116.35 79.85 1.37 Allowed 'General case' 0 C--N 1.369 1.435 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 . . . . . 0 C--O 1.261 1.66 0 C-N-CA 126.272 1.829 . . . . 0.0 108.474 -179.503 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.685 0 O4'-C1'-N19 110.477 2.277 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.492 " H2'" ' C6 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.756 0 O4'-C1'-N19 111.35 3.15 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.492 ' C6 ' " H2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 2.971 1 O4'-C1'-N19 112.778 4.578 . 0.869 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.886 0 O4'-C1'-N19 111.009 2.809 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.924 1 O4'-C1'-N19 112.295 4.095 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.883 1 O4'-C1'-N19 113.691 5.491 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.452 1 O4'-C1'-N19 112.744 4.544 . 0.337 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.567 3.881 0 C1'-O4'-C4' 106.988 -2.902 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.487 1 P-O3'-C3' 134.966 12.722 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.125 0 O4'-C1'-N19 111.12 2.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.555 2.669 0 P-O3'-C3' 124.04 3.617 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 0 O4'-C1'-N19 112.091 3.891 . 0.24 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.05 0 P-O5'-C5' 116.777 -2.577 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.565 0 P-O3'-C3' 124.392 3.91 . 0.621 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 0 P-O3'-C3' 124.486 3.988 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.811 1 P-O3'-C3' 125.771 5.059 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.165 1 P-O3'-C3' 125.148 4.54 . 0.068 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.495 1 O4'-C1'-N19 113.384 5.184 . 0.652 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . 0.516 HO2' " H5'" ' B' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.742 1 O4'-C1'-N19 112.227 4.027 . 0.689 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.516 " H5'" HO2' ' B' ' 19' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.545 2.728 1 O4'-C1'-N19 114.019 5.819 . 0.634 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.335 0 O4'-C1'-N19 111.504 3.304 . 0.027 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.674 0 P-O3'-C3' 124.178 3.731 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.474 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.068 0 P-O3'-C3' 123.199 2.916 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.474 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.838 0 O4'-C1'-N19 111.722 3.522 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.585 0 O4'-C1'-N19 111.209 3.009 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . 0.402 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.832 1 O4'-C1'-N19 112.673 4.473 . 0.879 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.402 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.003 0 O4'-C1'-N19 111.945 3.745 . 0.905 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.403 ' H3 ' ' HB3' ' A' ' 38' ' ' ARG . 43.6 p . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.322 0.582 . . . . 0.0 111.738 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.28 9.0 24.65 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 124.993 1.317 . . . . 0.0 112.319 176.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.03 -61.6 1.38 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.926 3.291 . . . . 0.0 106.951 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -162.91 -95.97 0.02 OUTLIER 'General case' 0 C--N 1.378 1.805 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.403 ' HB3' ' H3 ' ' A' ' 34' ' ' THR 0.31 17.0 tpt180 44.59 -93.96 0.02 OUTLIER 'General case' 0 C--N 1.373 1.596 0 C-N-CA 130.43 3.492 . . . . 0.0 114.101 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -60.46 -40.6 91.79 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 127.074 2.15 . . . . 0.0 112.061 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -59.68 -36.55 76.69 Favored 'General case' 0 C--N 1.372 1.563 0 C-N-CA 127.092 2.157 . . . . 0.0 110.484 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . 0.331 37.7 mmt180 81.84 -125.21 0.01 OUTLIER 'General case' 0 C--N 1.376 1.75 0 C-N-CA 130.226 3.411 . . . . 0.0 109.233 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.7 139.47 33.65 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.876 2.071 . . . . 0.0 108.118 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.1 ttm105 -96.32 100.98 12.55 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -144.66 141.26 29.21 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.325 2.65 . . . . 0.0 107.361 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -79.02 117.95 20.56 Favored 'General case' 0 C--N 1.371 1.503 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.52 ' HG3' ' H ' ' A' ' 49' ' ' GLN . 2.3 ptp180 -88.88 122.2 32.02 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 102.737 -3.06 . . . . 0.0 102.737 175.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.23 74.8 10.38 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 102.403 -3.184 . . . . 0.0 102.403 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.436 HH21 ' HE ' ' A' ' 50' ' ' ARG . 11.3 tpt180 32.15 77.3 0.03 OUTLIER 'General case' 0 C--N 1.375 1.715 0 C-N-CA 129.836 3.254 . . . . 0.0 111.298 -173.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.52 ' H ' ' HG3' ' A' ' 46' ' ' ARG 0.331 19.5 pt20 -64.45 4.25 0.39 Allowed 'General case' 0 C--N 1.375 1.717 0 N-CA-C 120.435 3.494 . . . . 0.0 120.435 -175.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' HE ' HH21 ' A' ' 48' ' ' ARG . 51.1 ptt85 . . . . . 0 C--O 1.26 1.641 0 C-N-CA 125.614 1.566 . . . . 0.0 108.638 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.136 0 O4'-C1'-N19 110.592 2.392 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.211 0 P-O3'-C3' 124.354 3.878 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.306 1 O4'-C1'-N19 112.674 4.474 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 0 O4'-C1'-N19 111.474 3.274 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.178 1 O4'-C1'-N19 112.76 4.56 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.093 1 O4'-C1'-N19 112.785 4.585 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.129 1 O4'-C1'-N19 112.356 4.156 . 0.613 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.564 3.598 0 O5'-C5'-C4' 114.584 3.132 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.714 0 P-O3'-C3' 124.239 3.783 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 1 O4'-C1'-N19 113.743 5.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.308 0 O4'-C1'-N19 111.25 3.05 . 0.583 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.796 0 O4'-C1'-N19 111.525 3.325 . 0.447 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.442 0 P-O3'-C3' 124.132 3.694 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.495 1 P-O3'-C3' 126.052 5.293 . 0.127 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.404 1 P-O3'-C3' 125.43 4.775 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.841 0 O4'-C1'-N19 112.023 3.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.15 2 P-O3'-C3' 125.031 4.442 . 0.527 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.384 1 O4'-C1'-N19 113.186 4.986 . 0.553 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.366 1 O4'-C1'-N19 112.931 4.731 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.915 1 O4'-C1'-N19 113.376 5.176 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.844 0 O4'-C1'-N19 111.136 2.936 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . 0.486 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.749 0 O4'-C1'-N19 111.745 3.545 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.496 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.959 0 O4'-C1'-N19 111.318 3.118 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.496 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.059 0 O4'-C1'-N19 112.075 3.875 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.723 0 O4'-C1'-N19 110.919 2.719 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.041 1 O4'-C1'-N19 112.522 4.322 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.03 0 O4'-C1'-N19 111.969 3.769 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.605 ' HG1' ' H42' ' B' ' 24' ' ' ' C' . 41.9 p . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.07 0.462 . . . . 0.0 111.452 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.31 91.47 8.8 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.287 67.3 mt-30 74.88 -65.53 0.34 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 128.699 2.8 . . . . 0.0 110.898 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . 0.28 . . 97.4 -107.16 0.0 OUTLIER 'General case' 0 C--N 1.377 1.78 0 C-N-CA 129.932 3.293 . . . . 0.0 106.755 -178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -134.62 116.87 15.49 Favored 'General case' 0 C--N 1.37 1.498 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.75 74.49 8.33 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 127.703 2.401 . . . . 0.0 106.858 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -100.74 125.12 47.17 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.872 2.069 . . . . 0.0 107.654 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.603 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -127.02 130.43 49.99 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.181 1.793 . . . . 0.0 107.918 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.269 29.3 mmt180 -68.52 -103.78 0.0 OUTLIER 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.309 2.244 . . . . 0.0 113.652 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -124.38 126.24 45.63 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 119.928 1.24 . . . . 0.0 111.37 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.407 ' HG2' ' C2 ' ' B' ' 9' ' ' ' G' . 0.0 OUTLIER -161.32 114.69 1.94 Allowed 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.839 2.055 . . . . 0.0 106.023 177.3 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -93.82 128.77 40.26 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 125.195 1.398 . . . . 0.0 109.279 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.61 117.34 29.87 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 104.096 -2.557 . . . . 0.0 104.096 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -85.27 80.99 8.98 Favored 'General case' 0 C--N 1.373 1.605 0 N-CA-C 103.252 -2.869 . . . . 0.0 103.252 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 2.7 tpt180 31.51 70.62 0.09 Allowed 'General case' 0 C--N 1.372 1.561 0 C-N-CA 130.11 3.364 . . . . 0.0 111.589 -175.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.272 24.9 tt0 90.85 102.23 0.02 OUTLIER 'General case' 0 C--N 1.37 1.483 0 C-N-CA 130.311 3.444 . . . . 0.0 106.599 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 . . . . . 0 C--O 1.26 1.639 0 C-N-CA 128.001 2.52 . . . . 0.0 111.142 179.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.219 0 O4'-C1'-N19 111.463 3.263 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 0 O4'-C1'-N19 111.326 3.126 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.122 1 O4'-C1'-N19 112.458 4.258 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.55 0 O4'-C1'-N19 111.4 3.2 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 1 O4'-C1'-N19 113.259 5.059 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.417 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.755 1 O4'-C1'-N19 114.273 6.073 . 0.678 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.417 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.188 1 O4'-C1'-N19 113.376 5.176 . 0.804 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.576 4.78 0 C1'-O4'-C4' 106.651 -3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.407 ' C2 ' ' HG2' ' A' ' 44' ' ' ARG . . . . . . . . 0 C5'--C4' 1.546 2.735 0 P-O5'-C5' 124.654 2.346 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.251 0 O4'-C1'-N19 111.496 3.296 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 P-O3'-C3' 124.325 3.855 . 0.477 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.832 0 P-O3'-C3' 122.334 2.195 . 0.408 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.401 " H4'" ' H21' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.449 2.922 0 P-O3'-C3' 123.594 3.245 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.871 1 P-O3'-C3' 126.756 5.88 . 0.516 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.406 0 P-O3'-C3' 123.883 3.486 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.685 1 C3'-C2'-C1' 105.299 4.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.401 ' H21' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.552 3.246 0 P-O3'-C3' 123.476 3.146 . 0.022 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.635 2 O4'-C1'-N19 114.343 6.143 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . 0.474 HO2' " H5'" ' B' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.112 1 O4'-C1'-N19 112.833 4.633 . 0.286 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . 0.474 " H5'" HO2' ' B' ' 19' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.549 3.038 0 P-O3'-C3' 123.236 2.946 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.799 0 O4'-C1'-N19 111.313 3.113 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . 0.418 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.541 2.368 0 N19-C1'-C2' 117.267 2.417 . 0.571 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.463 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.741 1 P-O3'-C3' 124.728 4.19 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.605 ' H42' ' HG1' ' A' ' 34' ' ' THR . . . . . . . . 0 C5'--C4' 1.547 2.81 0 O4'-C1'-N19 111.895 3.695 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.631 0 O4'-C1'-N19 111.007 2.807 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.821 1 O4'-C1'-N19 112.86 4.66 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.975 0 O4'-C1'-N19 112.129 3.929 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -82.17 97.89 8.44 Favored 'General case' 0 C--N 1.371 1.539 0 N-CA-C 104.181 -2.526 . . . . 0.0 104.181 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.31 16.4 pt20 50.95 82.99 0.05 Allowed 'General case' 0 C--N 1.363 1.182 0 C-N-CA 128.814 2.846 . . . . 0.0 111.116 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.55 -63.8 1.05 Allowed 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.528 1.931 . . . . 0.0 110.644 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -61.76 130.6 46.54 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 126.838 2.055 . . . . 0.0 111.369 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -79.42 -79.43 0.14 Allowed 'General case' 0 C--N 1.369 1.442 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -90.06 111.48 22.61 Favored 'General case' 0 C--N 1.379 1.853 0 N-CA-C 102.758 -3.053 . . . . 0.0 102.758 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -80.51 0.04 OUTLIER 'General case' 0 C--N 1.365 1.253 0 C-N-CA 125.252 1.421 . . . . 0.0 111.389 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -115.23 138.98 50.35 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 126.905 2.082 . . . . 0.0 110.051 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -106.68 93.67 4.71 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 103.941 -2.614 . . . . 0.0 103.941 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -149.61 139.53 21.94 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.226 2.61 . . . . 0.0 106.744 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -65.41 116.68 6.97 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 125.578 1.551 . . . . 0.0 110.944 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -83.63 111.79 19.44 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.266 -2.494 . . . . 0.0 104.266 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -82.47 82.11 8.03 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.251 20.3 tpt180 19.13 67.97 0.02 OUTLIER 'General case' 0 C--N 1.374 1.642 0 C-N-CA 130.828 3.651 . . . . 0.0 113.162 -175.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.275 35.4 tt0 79.72 103.46 0.07 Allowed 'General case' 0 C--N 1.374 1.636 0 C-N-CA 128.765 2.826 . . . . 0.0 108.057 -177.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--O 1.261 1.697 0 C-N-CA 128.146 2.579 . . . . 0.0 109.482 -179.181 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.449 HO2' " H5'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.015 0 O4'-C1'-N19 110.053 1.853 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.449 " H5'" HO2' ' B' ' 1' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.201 0 N19-C1'-C2' 118.355 3.097 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.086 1 O4'-C1'-N19 112.712 4.512 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.976 0 O4'-C1'-N19 111.54 3.34 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.918 1 O4'-C1'-N19 112.756 4.556 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.905 1 O4'-C1'-N19 113.052 4.852 . 0.836 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.043 0 O4'-C1'-N19 112.012 3.812 . 0.835 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.563 3.501 0 C4'-C3'-C2' 106.346 3.646 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.218 1 P-O3'-C3' 135.055 12.795 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.65 1 P-O3'-C3' 124.876 4.313 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.571 1 P-O3'-C3' 125.576 4.897 . 0.204 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.758 0 O4'-C1'-N19 111.254 3.054 . 0.17 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.148 0 C4'-C3'-C2' 105.254 2.554 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.579 -2.369 1 P-O3'-C3' 125.38 4.733 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.354 2 P-O3'-C3' 125.058 4.465 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 2 O4'-C1'-N19 112.585 4.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.617 1 P-O3'-C3' 125.559 4.882 . 0.013 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.967 1 O4'-C1'-N19 113.453 5.253 . 0.305 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.741 1 O4'-C1'-N19 112.48 4.28 . 0.727 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 1 C3'-C2'-C1' 105.34 4.266 OUTLIER-DELTA 0.013 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.414 0 O4'-C1'-N19 111.141 2.941 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . 0.465 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.539 2.254 0 O4'-C1'-N19 110.976 2.776 . 0.641 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.465 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.208 1 P-O3'-C3' 124.604 4.087 . 0.731 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.001 0 P-O3'-C3' 123.941 3.534 . 0.902 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.712 0 P-O3'-C3' 122.904 2.67 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.868 1 O4'-C1'-N19 112.256 4.056 . 0.895 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.124 0 O4'-C1'-N19 112.08 3.88 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.499 1.984 0 CA-C-O 119.043 -0.503 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -149.48 136.15 19.42 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 126.514 1.926 . . . . 0.0 108.091 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.268 67.4 mm-40 79.34 -49.08 0.4 Allowed 'General case' 0 C--N 1.361 1.094 0 C-N-CA 129.114 2.966 . . . . 0.0 112.133 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.22 -99.0 0.01 OUTLIER 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.245 2.618 . . . . 0.0 109.031 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.04 162.08 15.77 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.192 2.197 . . . . 0.0 109.813 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.348 18.5 ptt180 53.68 64.37 1.86 Allowed 'General case' 0 C--N 1.366 1.299 0 C-N-CA 127.47 2.308 . . . . 0.0 113.894 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -142.74 90.25 2.2 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -115.66 110.09 18.67 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.726 1.61 . . . . 0.0 108.594 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -145.5 52.78 1.18 Allowed 'General case' 0 C--N 1.37 1.495 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -178.488 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -131.0 74.87 1.62 Allowed 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -171.79 140.29 1.27 Allowed 'General case' 0 C--N 1.374 1.668 0 C-N-CA 124.732 1.213 . . . . 0.0 110.1 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -111.01 119.56 39.46 Favored 'General case' 0 C--N 1.367 1.338 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -88.37 107.0 18.61 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 102.618 -3.104 . . . . 0.0 102.618 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.79 79.78 9.49 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.261 18.0 mmm180 17.57 74.57 0.01 OUTLIER 'General case' 0 C--N 1.377 1.798 0 C-N-CA 130.644 3.577 . . . . 0.0 112.547 -175.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -140.26 95.46 2.89 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 127.003 2.121 . . . . 0.0 106.093 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 C--O 1.26 1.609 0 C-N-CA 125.946 1.698 . . . . 0.0 107.46 -179.77 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.309 0 O4'-C1'-N19 110.322 2.122 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.461 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.486 0 P-O3'-C3' 124.375 3.896 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.461 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.088 1 O4'-C1'-N19 112.228 4.028 . 0.822 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.643 0 O4'-C1'-N19 110.969 2.769 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 1 O4'-C1'-N19 112.538 4.338 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.75 1 O4'-C1'-N19 114.119 5.919 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.173 1 O4'-C1'-N19 112.918 4.718 . 0.306 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.562 3.393 0 P-O3'-C3' 124.472 3.977 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 1 P-O3'-C3' 125.881 5.151 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 O4'-C1'-N19 112.162 3.962 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.396 0 P-O3'-C3' 122.812 2.594 . 0.736 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.375 0 N19-C1'-C2' 118.925 3.453 . 0.41 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.439 " H4'" ' H21' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.6 1 P-O3'-C3' 126.171 5.393 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.922 1 P-O3'-C3' 125.396 4.747 . 0.653 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.273 1 P-O3'-C3' 127.122 6.185 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.806 1 O4'-C1'-N19 112.462 4.262 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.439 ' H21' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.555 3.44 0 P-O3'-C3' 124.375 3.896 . 0.35 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 1 O4'-C1'-N19 113.875 5.675 . 0.66 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.937 1 O4'-C1'-N19 112.484 4.284 . 0.62 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 3.032 0 C3'-C2'-C1' 104.637 3.486 . 0.313 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.881 0 P-O3'-C3' 123.272 2.977 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . 0.473 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.522 0 O4'-C1'-N19 111.005 2.805 . 0.484 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.473 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.66 1 P-O3'-C3' 124.79 4.242 . 0.792 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.404 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.805 0 O4'-C1'-N19 112.079 3.879 . 0.916 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.588 0 O4'-C1'-N19 111.29 3.09 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.695 1 O4'-C1'-N19 112.574 4.374 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.87 0 O4'-C1'-N19 111.862 3.662 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -92.07 90.96 7.59 Favored 'General case' 0 C--N 1.373 1.618 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -115.99 131.94 56.79 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 129.145 2.978 . . . . 0.0 103.855 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.61 101.57 0.04 OUTLIER 'General case' 0 C--N 1.369 1.435 0 C-N-CA 126.624 1.97 . . . . 0.0 111.219 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -150.19 -30.69 0.21 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 130.696 3.598 . . . . 0.0 109.754 -176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -75.81 118.71 18.91 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 128.385 2.674 . . . . 0.0 107.907 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . 0.271 40.4 t30 69.69 100.38 0.06 Allowed 'General case' 0 C--N 1.374 1.652 0 C-N-CA 128.452 2.701 . . . . 0.0 109.098 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -105.43 -156.98 0.59 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.871 2.068 . . . . 0.0 110.143 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 175.38 2.76 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.464 2.705 . . . . 0.0 110.726 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -78.75 116.64 19.23 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -140.59 134.31 30.35 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 127.997 2.519 . . . . 0.0 107.453 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -96.9 130.91 44.12 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 125.409 1.483 . . . . 0.0 107.174 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -90.07 101.92 14.63 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 101.875 -3.38 . . . . 0.0 101.875 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -83.54 78.46 9.66 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.672 ' HE ' ' HE ' ' A' ' 50' ' ' ARG . 9.8 tpt180 12.13 68.47 0.01 OUTLIER 'General case' 0 C--N 1.373 1.619 0 C-N-CA 131.546 3.938 . . . . 0.0 113.127 -175.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.284 19.3 pt20 -92.21 68.91 5.16 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 125.874 1.67 . . . . 0.0 110.713 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.672 ' HE ' ' HE ' ' A' ' 48' ' ' ARG . 99.8 mtt180 . . . . . 0 C--O 1.262 1.741 0 C-N-CA 128.375 2.67 . . . . 0.0 109.66 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.077 0 O4'-C1'-N19 110.908 2.708 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.739 0 O4'-C1'-N19 111.583 3.383 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.949 1 O4'-C1'-N19 113.342 5.142 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.045 0 P-O3'-C3' 123.79 3.408 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.926 1 O4'-C1'-N19 112.544 4.344 . 0.889 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.513 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.548 2.957 1 O4'-C1'-N19 113.253 5.053 . 0.755 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.513 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.554 3.409 1 O4'-C1'-N19 112.573 4.373 . 0.373 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.561 3.255 0 P-O3'-C3' 124.062 3.635 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 1 P-O3'-C3' 125.656 4.964 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.104 0 P-O3'-C3' 123.254 2.962 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.552 2.386 0 O4'-C4'-C3' 101.151 -3.107 . 0.2 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 O4'-C1'-N19 110.872 2.672 . 0.257 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.447 " H4'" ' H21' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.54 2.295 0 C3'-C2'-C1' 104.169 2.965 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.692 0 O4'-C1'-N19 111.373 3.173 . 0.289 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.495 1 P-O3'-C3' 126.726 5.855 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.725 0 O4'-C1'-N19 111.64 3.44 OUTLIER-DELTA 0.4 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.447 ' H21' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.74 0 P-O3'-C3' 124.031 3.609 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.407 2 O4'-C1'-N19 115.035 6.835 . 0.698 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.259 1 O4'-C1'-N19 113.047 4.847 . 0.184 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.479 1 O4'-C1'-N19 112.664 4.464 . 0.02 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.604 0 O4'-C1'-N19 110.803 2.603 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . 0.452 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.508 0 O4'-C1'-N19 111.571 3.371 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.452 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.548 2.892 0 P-O3'-C3' 123.99 3.575 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.943 1 O4'-C1'-N19 112.386 4.186 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 0 O4'-C1'-N19 111.388 3.188 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . 0.461 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.897 1 O4'-C1'-N19 112.284 4.084 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.461 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.891 0 O4'-C1'-N19 112.186 3.986 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -153.02 117.21 4.88 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.581 1.953 . . . . 0.0 105.936 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.304 66.9 mt-30 70.74 -77.17 0.06 Allowed 'General case' 0 C--N 1.37 1.467 0 C-N-CA 127.199 2.2 . . . . 0.0 108.755 -177.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.84 -163.92 1.34 Allowed 'General case' 0 C--N 1.368 1.378 0 C-N-CA 127.488 2.315 . . . . 0.0 108.316 177.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 74.15 107.85 0.07 Allowed 'General case' 0 C--N 1.37 1.487 0 C-N-CA 128.414 2.685 . . . . 0.0 107.642 -177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.352 34.4 ttm105 70.66 -83.16 0.03 OUTLIER 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.024 2.53 . . . . 0.0 107.911 -177.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -89.89 133.52 34.71 Favored 'General case' 0 C--N 1.373 1.62 0 CA-C-N 120.035 1.289 . . . . 0.0 109.307 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -94.15 105.94 17.93 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 101.007 -3.701 . . . . 0.0 101.007 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.37 5.1 tpm_? -21.58 -87.55 0.0 OUTLIER 'General case' 0 C--N 1.367 1.359 0 C-N-CA 131.11 3.764 . . . . 0.0 118.134 -173.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -112.94 107.47 16.05 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -161.89 124.18 2.91 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 125.701 1.6 . . . . 0.0 107.249 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -84.41 133.23 34.51 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.538 1.935 . . . . 0.0 111.007 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.529 HH21 ' HD2' ' A' ' 48' ' ' ARG . 16.7 ttp-105 -89.57 108.87 19.92 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -83.57 89.9 7.17 Favored 'General case' 0 C--N 1.368 1.413 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.529 ' HD2' HH21 ' A' ' 46' ' ' ARG 0.265 7.4 tpt180 22.31 54.55 0.02 OUTLIER 'General case' 0 C--N 1.365 1.267 0 C-N-CA 131.436 3.895 . . . . 0.0 116.528 -177.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.396 0.1 OUTLIER 43.25 95.74 0.01 OUTLIER 'General case' 0 C--N 1.378 1.836 0 C-N-CA 128.82 2.848 . . . . 0.0 114.098 179.381 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.515 ' H ' ' HD2' ' A' ' 50' ' ' ARG . 3.4 mpt_? . . . . . 0 C--O 1.262 1.715 0 C-N-CA 128.849 2.86 . . . . 0.0 110.769 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.31 0 O4'-C1'-N19 110.349 2.149 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.548 0 P-O3'-C3' 122.561 2.384 . 0.932 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.959 0 O4'-C1'-N19 112.07 3.87 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.481 0 O4'-C1'-N19 111.173 2.973 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.784 1 O4'-C1'-N19 112.679 4.479 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.569 HO2' " H5'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.545 2.668 1 O4'-C1'-N19 114.12 5.92 . 0.687 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.569 " H5'" HO2' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.552 3.201 1 O4'-C1'-N19 112.675 4.475 . 0.901 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 5.018 0 P-O3'-C3' 122.936 2.697 . 0.498 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.557 2.881 0 P-O3'-C3' 124.388 3.907 OUTLIER-EPSILON 0.077 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.25 1 P-O3'-C3' 132.48 10.65 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.585 0 P-O3'-C3' 124.097 3.664 . 0.127 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.629 0 O4'-C1'-N19 110.862 2.662 . 0.02 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.636 " H4'" ' H21' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.438 0 C3'-C2'-C1' 104.449 3.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.514 0 P-O3'-C3' 123.327 3.023 . 0.457 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.549 0 P-O5'-C5' 125.375 2.797 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.224 1 O4'-C1'-N19 113.33 5.13 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.636 ' H21' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.554 3.347 1 P-O3'-C3' 125.94 5.2 . 0.0 OUTLIER '7D dist 3b' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.828 2 O4'-C1'-N19 114.122 5.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.575 1 O4'-C1'-N19 112.87 4.67 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.618 1 P-O3'-C3' 124.913 4.344 . 0.458 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.358 0 P-O3'-C3' 124.091 3.659 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.578 0 P-O3'-C3' 123.241 2.951 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.708 0 O4'-C1'-N19 110.737 2.537 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.743 0 O4'-C1'-N19 112.127 3.927 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.651 0 O4'-C1'-N19 111.084 2.884 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . 0.417 HO2' " H5'" ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.913 1 O4'-C1'-N19 113.015 4.815 . 0.859 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.417 " H5'" HO2' ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.056 0 O4'-C1'-N19 111.823 3.623 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -85.55 96.47 9.65 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 127.059 2.144 . . . . 0.0 105.697 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.351 78.6 mt-30 80.53 -72.9 0.06 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 130.02 3.328 . . . . 0.0 109.887 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.02 135.47 7.41 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 128.008 2.523 . . . . 0.0 113.314 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.262 1.4 mpt_? 78.19 -50.43 0.49 Allowed 'General case' 0 C--N 1.367 1.359 0 C-N-CA 128.939 2.896 . . . . 0.0 112.747 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -73.23 -50.46 22.27 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 128.498 2.719 . . . . 0.0 115.386 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -56.19 128.8 37.37 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.425 2.29 . . . . 0.0 112.069 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HD3' ' H ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -90.2 166.38 13.4 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 128.192 2.597 . . . . 0.0 112.599 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 33.6 ttp180 -63.1 152.54 36.9 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 128.594 2.758 . . . . 0.0 111.178 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -85.5 104.93 15.73 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -161.01 116.3 2.15 Favored 'General case' 0 C--N 1.367 1.363 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -74.67 113.67 12.21 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 124.371 1.068 . . . . 0.0 110.627 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.671 ' HG3' ' H ' ' A' ' 49' ' ' GLN . 2.2 ptp180 -89.96 126.34 35.7 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.99 83.34 6.73 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 102.434 -3.173 . . . . 0.0 102.434 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.386 7.2 tpt180 22.36 72.39 0.02 OUTLIER 'General case' 0 C--N 1.372 1.558 0 C-N-CA 130.748 3.619 . . . . 0.0 113.544 -173.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.671 ' H ' ' HG3' ' A' ' 46' ' ' ARG 0.278 23.9 mm100 70.4 85.92 0.13 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.406 3.082 . . . . 0.0 108.434 -179.07 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 . . . . . 0 C--O 1.26 1.652 0 C-N-CA 127.044 2.138 . . . . 0.0 106.828 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.576 0 O4'-C1'-N19 110.943 2.743 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.828 0 O4'-C1'-N19 111.357 3.157 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.857 0 O4'-C1'-N19 112.185 3.985 . 0.926 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.547 0 O4'-C1'-N19 110.881 2.681 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.927 1 O4'-C1'-N19 113.123 4.923 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.408 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.555 3.452 1 O4'-C1'-N19 113.697 5.497 . 0.729 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.408 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.557 3.584 1 O4'-C1'-N19 112.328 4.128 . 0.901 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.573 4.503 1 O4'-C1'-N19 112.385 4.185 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.034 0 P-O3'-C3' 123.568 3.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.409 1 P-O3'-C3' 127.446 6.455 . 0.03 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.728 1 O4'-C1'-N19 112.78 4.58 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.633 1 O4'-C1'-N19 112.335 4.135 . 0.315 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.834 0 P-O3'-C3' 123.091 2.826 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . 0.478 " H1'" ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.385 1 P-O3'-C3' 126.834 5.945 . 0.277 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.572 1 P-O3'-C3' 125.375 4.729 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.905 0 O4'-C1'-N19 111.951 3.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.478 ' C5 ' " H1'" ' B' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.623 0 P-O3'-C3' 123.881 3.485 . 0.798 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.809 2 O4'-C1'-N19 117.418 9.218 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.236 1 O4'-C1'-N19 112.202 4.002 . 0.684 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.18 2 C3'-C2'-C1' 105.567 4.519 OUTLIER-DELTA 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.376 0 P-O3'-C3' 124.153 3.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.877 0 O4'-C1'-N19 111.101 2.901 . 0.705 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.107 0 P-O3'-C3' 123.707 3.34 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.116 0 O4'-C1'-N19 111.748 3.548 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.713 0 P-O3'-C3' 123.094 2.829 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.902 1 O4'-C1'-N19 112.852 4.652 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.994 0 O4'-C1'-N19 111.935 3.735 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -109.76 98.55 7.86 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 63.8 mt-30 55.09 77.72 0.2 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 128.839 2.855 . . . . 0.0 110.637 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.1 -91.07 0.52 Allowed 'General case' 0 C--N 1.366 1.303 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.83 -67.83 0.96 Allowed 'General case' 0 C--N 1.37 1.464 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 176.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.367 2.1 mmp_? 70.92 -84.8 0.03 OUTLIER 'General case' 0 C--N 1.382 1.989 0 C-N-CA 128.751 2.82 . . . . 0.0 108.93 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.543 HD22 ' HG2' ' A' ' 43' ' ' ARG . 8.1 p-10 -82.73 164.92 20.35 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 125.415 1.486 . . . . 0.0 109.983 176.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -71.18 -92.87 0.01 OUTLIER 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.903 1.681 . . . . 0.0 109.103 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.403 ' HE ' ' HD3' ' A' ' 44' ' ' ARG . 28.2 ttp180 -102.87 132.01 49.37 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 126.01 1.724 . . . . 0.0 106.921 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.543 ' HG2' HD22 ' A' ' 40' ' ' ASN . 57.0 mtp180 -86.01 95.74 9.61 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 105.461 -2.051 . . . . 0.0 105.461 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' HD3' ' HE ' ' A' ' 42' ' ' ARG . 24.5 ptt85 -149.18 150.18 32.22 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 127.489 2.316 . . . . 0.0 108.371 -178.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -81.92 125.34 30.62 Favored 'General case' 0 C--N 1.368 1.397 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -99.06 118.76 36.54 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -79.54 86.92 5.15 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.433 31.9 tpt85 19.49 78.76 0.01 OUTLIER 'General case' 0 C--N 1.373 1.607 0 C-N-CA 130.201 3.4 . . . . 0.0 113.946 -171.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 78.86 108.89 0.07 Allowed 'General case' 0 C--N 1.373 1.611 0 C-N-CA 129.042 2.937 . . . . 0.0 109.672 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 C--O 1.26 1.656 0 C-N-CA 126.937 2.095 . . . . 0.0 106.088 178.828 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.2 0 O4'-C1'-N19 110.616 2.416 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.118 0 O4'-C1'-N19 110.665 2.465 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.879 0 O4'-C1'-N19 111.989 3.789 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.928 0 O4'-C1'-N19 110.801 2.601 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.789 1 O4'-C1'-N19 112.661 4.461 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.856 1 O4'-C1'-N19 114.279 6.079 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.484 1 O4'-C1'-N19 112.518 4.318 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.575 4.746 1 P-O3'-C3' 126.168 5.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.049 0 O4'-C1'-N19 111.284 3.084 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.35 1 P-O3'-C3' 132.272 10.477 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 0 O4'-C1'-N19 111.236 3.036 . 0.876 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.122 0 P-O3'-C3' 122.677 2.481 . 0.423 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.03 0 P-O5'-C5' 116.284 -2.885 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.396 0 P-O3'-C3' 124.422 3.935 . 0.386 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.572 0 P-O5'-C5' 126.111 3.257 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.492 0 C3'-C2'-C1' 104.548 3.387 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.845 0 P-O3'-C3' 123.784 3.403 . 0.676 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.638 3 O4'-C1'-N19 113.863 5.663 . 0.694 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.847 1 O4'-C1'-N19 113.634 5.434 OUTLIER-EPSILON 0.087 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.623 2 P-O3'-C3' 134.434 12.278 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.0 0 O4'-C1'-N19 110.805 2.605 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . 0.451 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.698 0 O4'-C1'-N19 111.084 2.884 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.455 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.784 0 P-O3'-C3' 122.89 2.658 . 0.894 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.455 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.448 2.86 0 O4'-C1'-N19 111.901 3.701 . 0.897 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.751 0 O4'-C1'-N19 110.987 2.787 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.063 1 O4'-C1'-N19 112.719 4.519 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.092 0 O4'-C1'-N19 111.829 3.629 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.5 2.027 0 CA-C-O 120.397 0.142 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 174.11 115.62 0.02 OUTLIER 'General case' 0 C--N 1.366 1.315 0 C-N-CA 129.193 2.997 . . . . 0.0 105.754 178.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -100.52 -57.79 2.04 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 125.92 1.688 . . . . 0.0 111.157 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.3 -110.61 0.31 Allowed 'General case' 0 C--N 1.375 1.675 0 C-N-CA 127.165 2.186 . . . . 0.0 107.905 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 155.21 40.82 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 128.569 2.748 . . . . 0.0 111.794 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.7 ttt-85 -76.63 -70.36 0.46 Allowed 'General case' 0 C--N 1.371 1.528 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -109.34 -79.35 0.58 Allowed 'General case' 0 C--N 1.374 1.666 0 C-N-CA 125.782 1.633 . . . . 0.0 106.7 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -149.57 120.21 7.51 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-N 119.873 1.215 . . . . 0.0 109.67 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -159.68 90.98 0.96 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 102.703 -3.073 . . . . 0.0 102.703 176.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -114.99 -112.86 0.34 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 mtt85 -42.08 147.21 0.24 Allowed 'General case' 0 C--N 1.355 0.813 0 C-N-CA 131.385 3.874 . . . . 0.0 112.388 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -75.65 127.96 34.18 Favored 'General case' 0 C--N 1.373 1.626 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 ttt85 -95.42 100.82 12.53 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.04 85.04 5.67 Favored 'General case' 0 C--N 1.377 1.801 0 N-CA-C 102.93 -2.989 . . . . 0.0 102.93 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.379 5.5 tpt180 4.89 72.5 0.0 OUTLIER 'General case' 0 C--N 1.368 1.388 0 C-N-CA 131.477 3.911 . . . . 0.0 114.893 -173.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -124.78 86.43 2.56 Favored 'General case' 0 C--N 1.37 1.482 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 C--O 1.262 1.711 0 C-N-CA 126.222 1.809 . . . . 0.0 108.063 179.657 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.36 0 O4'-C1'-N19 110.449 2.249 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.71 0 OP1-P-OP2 116.238 -2.241 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.701 0 O4'-C1'-N19 112.134 3.934 . 0.925 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.127 0 O4'-C1'-N19 111.218 3.018 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.947 1 O4'-C1'-N19 113.514 5.314 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.753 1 O4'-C1'-N19 113.366 5.166 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.009 1 O4'-C1'-N19 112.876 4.676 . 0.803 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.564 3.637 0 C1'-O4'-C4' 106.85 -3.056 OUTLIER-DELTA 0.232 5j . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.332 1 P-O3'-C3' 131.281 9.651 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.553 2.486 0 O4'-C1'-N19 111.5 3.3 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 P-O3'-C3' 123.216 2.93 . 0.673 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.684 0 O4'-C1'-N19 111.006 2.806 . 0.102 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.486 0 O4'-C1'-N19 105.309 -2.891 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . 0.438 " H1'" ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.651 1 P-O3'-C3' 125.928 5.19 . 0.083 0i . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.484 1 P-O3'-C3' 125.341 4.7 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.201 0 C3'-C2'-C1' 104.953 3.836 . 0.328 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.438 ' C5 ' " H1'" ' B' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.365 0 P-O5'-C5' 124.351 2.157 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 1 O4'-C1'-N19 113.969 5.769 . 0.402 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.713 2 O4'-C1'-N19 113.421 5.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.068 1 C3'-C2'-C1' 105.86 4.844 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.761 0 P-O3'-C3' 122.943 2.703 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.292 0 P-O3'-C3' 123.525 3.187 . 0.699 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 0 P-O3'-C3' 122.56 2.384 . 0.895 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 O4'-C1'-N19 112.403 4.203 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.709 0 O4'-C1'-N19 111.641 3.441 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.99 1 O4'-C1'-N19 112.901 4.701 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.908 0 O4'-C1'-N19 111.907 3.707 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.343 98.7 mtt180 -51.08 -42.01 60.32 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -178.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -107.33 105.79 15.9 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 127.694 2.398 . . . . 0.0 106.893 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.61 73.82 0.65 Allowed 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.418 1.887 . . . . 0.0 106.201 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.305 8.8 ttp180 51.88 93.98 0.02 OUTLIER 'General case' 0 C--N 1.375 1.688 0 C-N-CA 130.607 3.563 . . . . 0.0 110.818 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -63.13 1.42 Allowed 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.433 1.893 . . . . 0.0 113.074 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -72.7 119.93 17.61 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 124.801 1.24 . . . . 0.0 107.956 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -102.66 -115.48 0.2 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.539 1.535 . . . . 0.0 110.268 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -103.87 156.86 17.5 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 128.119 2.568 . . . . 0.0 110.691 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -95.67 97.22 9.56 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 102.901 -3.0 . . . . 0.0 102.901 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -119.24 134.3 55.28 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.485 1.914 . . . . 0.0 108.062 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -79.85 127.56 32.39 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 124.831 1.252 . . . . 0.0 108.352 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -87.21 112.95 22.51 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -89.8 65.18 6.68 Favored 'General case' 0 C--N 1.368 1.402 0 N-CA-C 103.048 -2.945 . . . . 0.0 103.048 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.543 HH12 HO2' ' B' ' 13' ' ' ' U' 0.404 7.0 tpt180 16.31 70.72 0.01 OUTLIER 'General case' 0 C--N 1.371 1.515 0 C-N-CA 131.516 3.926 . . . . 0.0 114.572 -173.224 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -166.61 112.37 0.81 Allowed 'General case' 0 C--N 1.369 1.449 0 C-N-CA 128.896 2.879 . . . . 0.0 104.758 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 . . . . . 0 C--O 1.262 1.754 0 C-N-CA 131.461 3.904 . . . . 0.0 115.095 -179.18 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.245 0 O4'-C1'-N19 110.53 2.33 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 0 O4'-C1'-N19 111.274 3.074 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.793 1 O4'-C1'-N19 112.925 4.725 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.806 0 O4'-C1'-N19 111.658 3.458 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 1 O4'-C1'-N19 113.144 4.944 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.048 1 O4'-C1'-N19 113.721 5.521 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.194 1 O4'-C1'-N19 112.702 4.502 . 0.687 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.56 3.238 0 C4'-C3'-C2' 106.088 3.388 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.202 0 C1'-O4'-C4' 107.024 -2.863 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 O4'-C1'-N19 110.835 2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.45 0 P-O3'-C3' 123.983 3.569 . 0.58 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.758 0 N19-C1'-C2' 118.688 3.305 . 0.658 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.543 HO2' HH12 ' A' ' 48' ' ' ARG . . . . . . . . 0 C5'--C4' 1.546 2.807 1 P-O3'-C3' 124.87 4.308 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.764 1 P-O3'-C3' 125.139 4.532 . 0.786 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 O4'-C1'-N19 111.55 3.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.837 0 C3'-C2'-C1' 104.841 3.712 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.545 1.948 0 O4'-C1'-C2' 102.324 -2.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.157 1 O4'-C1'-N19 114.661 6.461 . 0.101 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.069 1 O4'-C1'-N19 112.637 4.437 . 0.652 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.288 2 P-O3'-C3' 125.481 4.818 . 0.472 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.833 0 O4'-C1'-N19 110.503 2.303 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . 0.48 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.76 0 P-O3'-C3' 122.727 2.523 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.495 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.965 0 P-O3'-C3' 123.743 3.369 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.495 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.549 2.996 0 O4'-C1'-N19 112.092 3.892 . 0.875 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.738 0 O4'-C1'-N19 111.166 2.966 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 1 O4'-C1'-N19 112.669 4.469 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.958 0 O4'-C1'-N19 111.819 3.619 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.8 m . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.253 1.8 tmm_? 74.32 102.88 0.07 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 129.241 3.017 . . . . 0.0 109.852 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.251 0.9 OUTLIER 37.7 88.92 0.01 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 130.78 3.632 . . . . 0.0 115.033 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.98 -74.87 0.59 Allowed 'General case' 0 C--N 1.365 1.242 0 N-CA-C 104.593 -2.373 . . . . 0.0 104.593 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -85.9 -66.39 0.91 Allowed 'General case' 0 C--N 1.373 1.615 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.285 2.6 tpp180 72.97 120.72 0.04 OUTLIER 'General case' 0 C--N 1.376 1.724 0 C-N-CA 129.84 3.256 . . . . 0.0 110.083 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 69.9 92.45 0.08 Allowed 'General case' 0 C--N 1.382 1.98 0 C-N-CA 127.725 2.41 . . . . 0.0 107.051 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.8 mtp-105 -85.55 -145.48 0.1 Allowed 'General case' 0 C--N 1.366 1.287 0 C-N-CA 126.407 1.883 . . . . 0.0 111.248 -177.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.35 147.0 53.52 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 129.152 2.981 . . . . 0.0 111.862 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -97.58 100.81 12.23 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 102.095 -3.298 . . . . 0.0 102.095 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -136.79 115.31 11.92 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.323 2.249 . . . . 0.0 104.984 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -80.83 111.32 17.18 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -80.82 118.67 22.54 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.66 80.46 9.0 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 100.988 -3.708 . . . . 0.0 100.988 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.361 5.6 tpt180 22.95 67.83 0.03 OUTLIER 'General case' 0 C--N 1.371 1.525 0 C-N-CA 130.166 3.386 . . . . 0.0 113.462 -172.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -157.4 100.23 1.8 Allowed 'General case' 0 C--N 1.37 1.465 0 C-N-CA 127.405 2.282 . . . . 0.0 105.454 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? . . . . . 0 C--O 1.261 1.688 0 C-N-CA 127.606 2.362 . . . . 0.0 110.801 -177.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.244 0 O4'-C1'-N19 111.039 2.839 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.578 0 O4'-C1'-N19 111.08 2.88 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.816 1 O4'-C1'-N19 112.86 4.66 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.774 0 O4'-C1'-N19 111.027 2.827 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.766 0 O4'-C1'-N19 112.194 3.994 . 0.946 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.467 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.793 1 O4'-C1'-N19 114.028 5.828 . 0.838 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.467 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.554 3.389 1 O4'-C1'-N19 113.892 5.692 . 0.942 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.536 HO2' " H4'" ' B' ' 9' ' ' ' G' . . . . . . . . 1 C2'--C1' 1.57 4.217 0 O4'-C1'-N19 111.827 3.627 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.536 " H4'" HO2' ' B' ' 8' ' ' ' U' . . . . . . . . 0 C3'--C2' 1.551 2.405 1 P-O3'-C3' 125.208 4.59 OUTLIER-EPSILON 0.013 1e . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.13 2 P-O3'-C3' 134.605 12.421 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.562 3.451 2 O4'-C1'-N19 116.686 8.486 . 0.567 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.864 1 P-O3'-C3' 126.962 6.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.255 1 P-O3'-C3' 124.889 4.324 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.302 1 P-O3'-C3' 135.954 13.545 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.478 0 P-O3'-C3' 123.951 3.542 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 2 O4'-C1'-N19 112.414 4.214 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.751 1 P-O3'-C3' 124.643 4.119 . 0.863 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.615 1 O4'-C1'-N19 112.613 4.413 . 0.438 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.842 1 O4'-C1'-N19 113.043 4.843 . 0.543 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 2.698 2 P-O3'-C3' 124.904 4.337 OUTLIER-DELTA 0.075 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.599 0 P-O3'-C3' 123.565 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.398 0 P-O3'-C3' 123.499 3.166 . 0.537 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.771 0 P-O3'-C3' 123.315 3.012 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.98 1 O4'-C1'-N19 112.796 4.596 . 0.92 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.66 0 O4'-C1'-N19 110.984 2.784 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . 0.405 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.877 1 O4'-C1'-N19 112.569 4.369 . 0.919 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.405 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.111 0 O4'-C1'-N19 111.923 3.723 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.542 0.687 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.298 7.6 ptm85 -88.41 -145.42 0.14 Allowed 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 129.54 3.136 . . . . 0.0 106.747 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -83.58 86.3 7.13 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 127.408 2.283 . . . . 0.0 107.629 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.68 -75.4 0.63 Allowed 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.369 2.268 . . . . 0.0 107.069 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -88.65 123.21 32.89 Favored 'General case' 0 C--N 1.373 1.624 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.26 1.6 tpp180 -70.78 -74.56 0.14 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.752 1.621 . . . . 0.0 110.408 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -87.35 91.83 8.86 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 125.28 1.432 . . . . 0.0 109.264 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -85.66 -65.38 1.02 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.881 1.272 . . . . 0.0 107.843 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.49 HH12 " H3'" ' B' ' 10' ' ' ' G' . 0.4 OUTLIER -81.82 122.92 28.32 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 125.619 1.568 . . . . 0.0 111.924 -179.249 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -114.18 82.12 1.65 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 100.489 -3.893 . . . . 0.0 100.489 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -143.15 143.8 31.95 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.528 1.931 . . . . 0.0 110.324 -175.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -82.18 121.91 27.22 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 174.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -86.52 108.7 18.67 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -84.64 74.45 10.42 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.975 -2.231 . . . . 0.0 104.975 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 28.11 57.48 0.1 Allowed 'General case' 0 C--N 1.373 1.597 0 C-N-CA 130.256 3.422 . . . . 0.0 112.538 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 129.29 119.91 0.0 OUTLIER 'General case' 0 C--N 1.375 1.713 1 C-N-CA 132.718 4.407 . . . . 0.0 104.943 -177.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 . . . . . 0 C--O 1.261 1.685 0 C-N-CA 128.069 2.548 . . . . 0.0 110.601 179.749 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.359 0 O4'-C1'-N19 110.974 2.774 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.798 0 O4'-C1'-N19 112.107 3.907 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.88 1 O4'-C1'-N19 113.06 4.86 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.402 HO2' " H5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.547 2.836 0 O4'-C1'-N19 111.756 3.556 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.402 " H5'" HO2' ' B' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 2.977 1 O4'-C1'-N19 113.066 4.866 . 0.81 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.784 1 O4'-C1'-N19 113.812 5.612 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.412 " H3'" " H5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.502 1 O4'-C1'-N19 113.076 4.876 . 0.707 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.412 " H5'" " H3'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.566 3.797 0 O5'-C5'-C4' 114.233 2.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.754 1 P-O3'-C3' 125.819 5.1 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . 0.49 " H3'" HH12 ' A' ' 42' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 2.497 1 O4'-C1'-N19 112.519 4.319 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . 0.479 ' H62' ' HB2' ' A' ' 42' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.308 1 O4'-C1'-N19 112.431 4.231 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.491 0 O4'-C1'-N19 111.162 2.962 . 0.422 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.479 " H4'" ' H21' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.368 0 C4'-C3'-C2' 105.058 2.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 0 C3'-C2'-C1' 104.315 3.128 . 0.031 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 2.952 0 P-O3'-C3' 124.478 3.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.157 0 O4'-C1'-N19 111.266 3.066 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.479 ' H21' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.33 1 P-O3'-C3' 125.3 4.667 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.481 1 O4'-C1'-N19 114.22 6.02 . 0.571 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.559 3.116 2 O4'-C1'-N19 112.792 4.592 OUTLIER-DELTA 0.341 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.596 0 O4'-C1'-N19 111.845 3.645 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.588 1 P-O3'-C3' 125.297 4.664 . 0.397 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.871 0 O5'-C5'-C4' 113.756 2.54 . 0.514 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.932 0 O4'-C1'-N19 111.081 2.881 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.95 1 O4'-C1'-N19 112.419 4.219 . 0.916 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.563 0 O4'-C1'-N19 111.564 3.364 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.827 1 O4'-C1'-N19 112.69 4.49 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.86 0 O4'-C1'-N19 111.874 3.674 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 123.07 1.414 . . . . 0.0 113.782 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -79.93 -49.69 11.52 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 129.239 3.016 . . . . 0.0 112.905 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.76 145.91 17.52 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 130.673 3.589 . . . . 0.0 108.647 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.26 -73.25 0.64 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.363 1.865 . . . . 0.0 107.667 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -85.66 130.83 34.47 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.026 1.731 . . . . 0.0 108.324 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' HD2' ' H ' ' A' ' 40' ' ' ASN 0.329 0.1 OUTLIER -82.81 -92.22 0.07 Allowed 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.746 1.619 . . . . 0.0 109.216 -179.946 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.508 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 32.9 m120 -69.44 121.34 16.78 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.079 2.152 . . . . 0.0 109.97 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -131.71 -84.19 0.5 Allowed 'General case' 0 C--N 1.362 1.146 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -91.4 114.26 26.74 Favored 'General case' 0 C--N 1.375 1.697 0 C-N-CA 126.044 1.738 . . . . 0.0 109.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -119.5 91.57 3.58 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 103.338 -2.838 . . . . 0.0 103.338 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -144.93 152.16 39.79 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.959 2.104 . . . . 0.0 110.62 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -67.72 124.87 24.48 Favored 'General case' 0 C--N 1.379 1.866 0 C-N-CA 124.56 1.144 . . . . 0.0 108.61 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -99.76 121.13 40.8 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 102.945 -2.983 . . . . 0.0 102.945 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -82.28 75.94 9.18 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 46.11 33.13 1.61 Allowed 'General case' 0 C--N 1.368 1.387 0 C-N-CA 128.858 2.863 . . . . 0.0 114.841 -177.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.351 1.4 pm0 143.88 127.88 0.0 OUTLIER 'General case' 0 C--N 1.373 1.589 1 C-N-CA 133.142 4.577 . . . . 0.0 105.8 179.539 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 . . . . . 0 C--O 1.26 1.618 0 CA-C-O 117.188 -1.386 . . . . 0.0 108.494 179.498 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 0 O4'-C1'-N19 111.421 3.221 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.466 " H2'" ' C6 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.549 2.984 0 P-O3'-C3' 123.838 3.449 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.466 ' C6 ' " H2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.85 2 O4'-C1'-N19 113.116 4.916 . 0.856 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.729 0 O4'-C1'-N19 110.573 2.373 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.022 0 O4'-C1'-N19 111.831 3.631 . 0.9 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.414 ' C5 ' ' C5 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.545 2.686 1 O4'-C1'-N19 113.43 5.23 . 0.852 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.414 ' C5 ' ' C5 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.742 1 O4'-C1'-N19 112.466 4.266 . 0.848 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.562 3.353 0 C4'-C3'-C2' 105.816 3.116 OUTLIER-DELTA 0.127 5j . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.298 1 P-O3'-C3' 124.535 4.029 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 0 O4'-C1'-N19 111.188 2.988 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.743 1 P-O3'-C3' 124.996 4.413 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.352 0 P-O3'-C3' 123.284 2.986 . 0.415 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.472 " H4'" ' H21' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.427 0 C3'-C2'-C1' 104.72 3.578 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.732 1 P-O3'-C3' 124.697 4.164 . 0.491 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.367 1 P-O3'-C3' 125.699 4.999 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.177 1 C3'-C2'-C1' 105.384 4.315 . 0.474 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.472 ' H21' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.548 2.92 0 P-O3'-C3' 124.37 3.891 . 0.206 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.55 2 O4'-C1'-N19 117.074 8.874 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.568 3.929 1 N19-C1'-C2' 120.432 4.395 . 0.064 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.555 2.695 2 O4'-C1'-N19 112.547 4.347 OUTLIER-DELTA 0.736 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.78 0 O4'-C1'-N19 112.136 3.936 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.158 0 P-O3'-C3' 124.365 3.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.002 0 O4'-C1'-N19 111.093 2.893 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.268 0 O4'-C1'-N19 111.861 3.661 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.425 " H2'" ' C6 ' ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.721 0 O4'-C1'-N19 111.212 3.012 . 0.836 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . 0.471 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.032 1 O4'-C1'-N19 112.535 4.335 . 0.894 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.471 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.093 0 O4'-C1'-N19 111.839 3.639 . 0.904 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.3 p . . . . . 0 N--CA 1.501 2.079 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -78.82 125.13 28.96 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.851 2.861 . . . . 0.0 107.135 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.293 29.1 mt-30 74.58 -64.05 0.4 Allowed 'General case' 0 C--N 1.346 0.449 1 C-N-CA 131.822 4.049 . . . . 0.0 109.656 -178.564 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . 0.263 . . 68.17 -99.12 0.04 OUTLIER 'General case' 0 C--N 1.375 1.703 0 C-N-CA 128.334 2.654 . . . . 0.0 108.065 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 -132.49 106.49 7.88 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 103.719 -2.696 . . . . 0.0 103.719 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.261 0.0 OUTLIER -71.98 -52.48 16.9 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.123 1.769 . . . . 0.0 111.988 -178.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -77.74 106.29 9.47 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 125.701 1.6 . . . . 0.0 107.318 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -97.04 161.37 13.86 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 126.449 1.9 . . . . 0.0 110.679 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 159.45 14.05 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 127.653 2.381 . . . . 0.0 113.727 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -92.71 125.43 37.32 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' HB3' HH11 ' A' ' 44' ' ' ARG . 8.3 ttp-105 -166.98 141.05 3.82 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.998 2.119 . . . . 0.0 108.403 -177.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -80.23 121.67 25.91 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -93.1 106.7 18.62 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 101.845 -3.391 . . . . 0.0 101.845 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.17 80.29 9.11 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 103.005 -2.961 . . . . 0.0 103.005 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 13.3 tpt180 13.71 71.37 0.01 OUTLIER 'General case' 0 C--N 1.374 1.64 0 C-N-CA 131.19 3.796 . . . . 0.0 112.708 -174.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -87.2 56.72 4.11 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 126.502 1.921 . . . . 0.0 112.387 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 . . . . . 0 C--O 1.262 1.754 0 C-N-CA 126.185 1.794 . . . . 0.0 107.668 178.793 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.059 0 O4'-C1'-N19 110.717 2.517 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.429 " H2'" ' C6 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.651 0 O4'-C1'-N19 111.75 3.55 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.429 ' C6 ' " H2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.55 3.061 1 O4'-C1'-N19 113.385 5.185 . 0.649 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.433 " H2'" ' C6 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.551 3.133 0 P-O3'-C3' 123.654 3.295 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.433 ' C6 ' " H2'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.147 1 O4'-C1'-N19 112.673 4.473 . 0.707 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.401 " H5'" HO2' ' B' ' 5' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.325 1 O4'-C1'-N19 112.519 4.319 . 0.863 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.842 1 O4'-C1'-N19 112.805 4.605 . 0.634 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.58 5.184 0 P-O3'-C3' 124.343 3.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.784 0 P-O3'-C3' 123.986 3.572 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.86 0 P-O3'-C3' 123.842 3.451 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.666 0 O4'-C1'-N19 111.668 3.468 . 0.407 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . 0.691 " H1'" ' H61' ' B' ' 18' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.562 3.973 0 O4'-C1'-N19 111.3 3.1 . 0.183 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.427 ' C5 ' " H2'" ' B' ' 12' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.807 1 P-O3'-C3' 124.543 4.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.727 1 P-O3'-C3' 124.713 4.177 . 0.776 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.757 1 P-O3'-C3' 124.816 4.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.116 1 O4'-C1'-N19 112.414 4.214 . 0.088 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.953 0 N19-C1'-C2' 117.483 2.552 . 0.109 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . 0.691 ' H61' " H1'" ' B' ' 12' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.712 1 O4'-C1'-N19 112.383 4.183 . 0.313 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.995 1 O4'-C1'-N19 112.787 4.587 . 0.485 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.308 1 O4'-C1'-N19 113.159 4.959 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.943 0 O4'-C1'-N19 111.067 2.867 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.018 0 O5'-C5'-C4' 114.548 3.106 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.424 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.103 0 P-O3'-C3' 122.88 2.65 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.424 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.553 3.292 0 O4'-C1'-N19 112.163 3.963 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.94 0 O4'-C1'-N19 111.246 3.046 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.055 1 O4'-C1'-N19 112.848 4.648 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 0 O4'-C1'-N19 112.055 3.855 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 121.158 0.504 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.264 43.2 ttm-85 -74.93 -53.11 9.58 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 124.859 1.264 . . . . 0.0 111.844 179.156 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -158.52 114.14 2.65 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 129.872 3.269 . . . . 0.0 106.276 176.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.1 -74.86 0.6 Allowed 'General case' 0 C--N 1.369 1.446 0 C-N-CA 126.117 1.767 . . . . 0.0 107.436 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -109.73 117.28 33.48 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.986 2.114 . . . . 0.0 106.248 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -79.28 0.14 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 126.36 1.864 . . . . 0.0 110.526 -177.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -78.36 117.64 19.78 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 125.123 1.369 . . . . 0.0 108.186 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -140.95 -58.46 0.5 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 125.389 1.475 . . . . 0.0 109.957 -178.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -62.04 130.17 44.28 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.308 1.843 . . . . 0.0 113.534 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -133.78 82.84 2.0 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 102.823 -3.028 . . . . 0.0 102.823 177.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -160.09 150.01 18.2 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 126.669 1.988 . . . . 0.0 109.587 -178.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -74.45 134.17 42.35 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 125.219 1.408 . . . . 0.0 109.423 178.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -93.55 105.1 17.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 128.61 2.764 . . . . 0.0 103.634 177.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.81 84.89 6.74 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 178.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.265 17.6 tpt180 19.53 72.6 0.02 OUTLIER 'General case' 0 C--N 1.368 1.402 1 C-N-CA 131.73 4.012 . . . . 0.0 114.417 -176.439 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.334 35.2 tt0 97.59 123.86 0.01 OUTLIER 'General case' 0 C--N 1.375 1.712 0 C-N-CA 129.198 2.999 . . . . 0.0 110.899 179.059 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 . . . . . 0 C--O 1.26 1.652 0 C-N-CA 129.077 2.951 . . . . 0.0 110.992 179.347 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 O4'-C1'-N19 110.532 2.332 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.692 0 P-O3'-C3' 123.238 2.948 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.862 1 O4'-C1'-N19 112.298 4.098 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.763 0 O4'-C1'-N19 110.991 2.791 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.114 1 O4'-C1'-N19 112.59 4.39 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.503 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.547 2.827 1 O4'-C1'-N19 113.602 5.402 . 0.712 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.503 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.311 0 O4'-C1'-N19 111.862 3.662 . 0.398 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 1 P-O3'-C3' 124.667 4.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.218 1 P-O3'-C3' 129.527 8.189 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.552 2.404 1 P-O3'-C3' 125.348 4.707 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.5 0 O4'-C1'-N19 111.259 3.059 . 0.327 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.721 0 O4'-C1'-N19 111.488 3.288 . 0.274 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.463 " H4'" ' H21' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.395 0 C3'-C2'-C1' 103.56 2.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.671 0 C3'-C2'-C1' 104.159 2.955 . 0.095 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 2.671 1 P-O3'-C3' 125.918 5.182 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.81 1 C3'-C2'-C1' 105.213 4.126 . 0.243 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.463 ' H21' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.27 1 P-O3'-C3' 125.087 4.489 . 0.303 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.299 1 O4'-C1'-N19 115.132 6.932 . 0.621 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.901 1 O4'-C1'-N19 112.72 4.52 . 0.657 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.791 1 P-O3'-C3' 124.572 4.06 . 0.397 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.865 0 O4'-C1'-N19 110.887 2.687 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.349 0 P-O3'-C3' 124.02 3.6 . 0.541 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.991 0 P-O3'-C3' 122.848 2.623 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.171 0 P-O3'-C3' 124.324 3.854 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.821 0 P-O3'-C3' 122.554 2.379 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . 0.458 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.004 0 O4'-C1'-N19 111.908 3.708 . 0.922 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.458 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.904 0 O4'-C1'-N19 111.762 3.562 . 0.903 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? 49.13 87.52 0.02 OUTLIER 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.582 3.153 . . . . 0.0 112.256 179.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -94.27 100.45 12.5 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.335 1.454 . . . . 0.0 109.077 -178.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.41 74.45 1.32 Allowed 'General case' 0 C--N 1.367 1.365 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 177.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 66.01 128.42 0.02 OUTLIER 'General case' 0 C--N 1.369 1.435 0 C-N-CA 129.228 3.011 . . . . 0.0 111.812 -177.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.429 ' H ' ' HD2' ' A' ' 39' ' ' ARG 0.278 0.0 OUTLIER -94.48 -75.43 0.51 Allowed 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.441 1.896 . . . . 0.0 109.685 -178.897 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -49.03 -61.91 1.81 Allowed 'General case' 0 C--N 1.374 1.662 0 C-N-CA 128.388 2.675 . . . . 0.0 115.794 -177.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmm-85 76.65 160.9 0.22 Allowed 'General case' 0 C--N 1.374 1.647 0 C-N-CA 127.767 2.427 . . . . 0.0 114.278 -179.487 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.459 HH22 " H3'" ' B' ' 8' ' ' ' U' . 26.0 ttp-105 -65.3 154.36 38.45 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 130.118 3.367 . . . . 0.0 111.57 179.579 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -96.4 130.23 43.58 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -167.95 124.54 1.09 Allowed 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.864 2.466 . . . . 0.0 105.639 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -67.72 121.85 16.83 Favored 'General case' 0 C--N 1.381 1.976 0 CA-C-O 122.21 1.005 . . . . 0.0 109.079 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -91.9 113.66 25.98 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 178.189 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -84.35 77.49 9.98 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 102.772 -3.048 . . . . 0.0 102.772 177.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.357 4.8 tpm_? 15.02 72.38 0.01 OUTLIER 'General case' 0 C--N 1.375 1.71 1 C-N-CA 131.87 4.068 . . . . 0.0 112.733 -173.977 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -94.1 70.38 3.88 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 127.952 2.501 . . . . 0.0 107.986 -177.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.51 HH21 ' H3 ' ' B' ' 13' ' ' ' U' 0.256 11.5 ptp85 . . . . . 0 C--O 1.261 1.69 0 C-N-CA 125.901 1.68 . . . . 0.0 109.716 179.169 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.284 0 O4'-C1'-N19 110.663 2.463 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.858 0 O4'-C1'-N19 111.734 3.534 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.642 ' H3 ' ' H61' ' B' ' 25' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.72 1 O4'-C1'-N19 113.577 5.377 . 0.815 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.144 0 O4'-C1'-N19 111.735 3.535 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.402 " H2'" ' C6 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.158 1 O4'-C1'-N19 113.115 4.915 . 0.72 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ' C' . . . . . 0.517 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.803 1 O4'-C1'-N19 114.168 5.968 . 0.753 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.517 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.566 4.327 1 O4'-C1'-N19 113.578 5.378 . 0.434 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.459 " H3'" HH22 ' A' ' 42' ' ' ARG . . . . . . . . 1 C2'--C1' 1.569 4.12 1 P-O3'-C3' 125.924 5.187 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.585 1 P-O3'-C3' 127.496 6.496 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.978 1 C3'-C2'-C1' 106.709 5.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.016 1 O4'-C1'-N19 112.409 4.209 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.404 0 O4'-C1'-N19 111.353 3.153 . 0.638 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.51 ' H3 ' HH21 ' A' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.551 3.116 1 P-O3'-C3' 124.881 4.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.844 1 P-O3'-C3' 125.41 4.758 . 0.016 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 2.522 1 P-O3'-C3' 125.821 5.101 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.772 1 O4'-C1'-N19 112.564 4.364 . 0.061 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.559 1 P-O3'-C3' 125.021 4.434 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.896 1 O4'-C1'-N19 112.951 4.751 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.944 0 O4'-C1'-N19 111.982 3.782 . 0.84 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.915 1 O4'-C1'-N19 112.281 4.081 . 0.332 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.985 0 P-O3'-C3' 122.342 2.202 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 O4'-C1'-N19 111.108 2.908 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.939 0 O4'-C1'-N19 110.788 2.588 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 0 O4'-C1'-N19 112.121 3.921 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ' A' . . . . . 0.642 ' H61' ' H3 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.634 0 O4'-C1'-N19 111.839 3.639 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' ' C' . . . . . 0.433 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.097 1 O4'-C1'-N19 112.709 4.509 . 0.897 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.433 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.987 0 O4'-C1'-N19 112.035 3.835 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.945 0.879 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -91.93 104.68 17.07 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -85.52 79.87 9.26 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 103.073 -2.936 . . . . 0.0 103.073 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 . . . . . 0 C--N 1.38 1.929 0 C-N-CA 131.115 3.766 . . . . 0.0 112.228 -176.199 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 . . . . . 0 C--O 1.237 0.415 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -87.28 105.69 17.41 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 102.057 -3.312 . . . . 0.0 102.057 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.77 85.69 5.42 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.368 3.3 tpp85 . . . . . 0 C--N 1.37 1.464 0 C-N-CA 130.518 3.527 . . . . 0.0 113.828 -173.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -100.37 116.09 31.51 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 102.286 -3.228 . . . . 0.0 102.286 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.27 81.51 8.13 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.324 18.8 tpt180 . . . . . 0 C--N 1.375 1.701 0 C-N-CA 130.76 3.624 . . . . 0.0 112.947 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 122.172 0.987 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttm105 -93.51 110.2 21.78 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -85.48 83.0 8.06 Favored 'General case' 0 C--N 1.372 1.549 0 N-CA-C 101.443 -3.54 . . . . 0.0 101.443 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.362 10.4 tpt180 . . . . . 0 C--N 1.367 1.338 0 C-N-CA 131.256 3.823 . . . . 0.0 114.72 -173.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 . . . . . 0 C--O 1.237 0.412 0 CA-C-O 122.843 1.306 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -100.36 104.5 15.94 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.87 77.87 10.01 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 102.036 -3.32 . . . . 0.0 102.036 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.333 22.1 mmm180 . . . . . 0 C--N 1.375 1.685 1 C-N-CA 131.974 4.11 . . . . 0.0 114.956 -174.097 . . . . . . . . 2 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 . . . . . 0 C--O 1.235 0.302 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -101.76 115.91 31.57 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 102.964 -2.976 . . . . 0.0 102.964 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.72 83.95 5.61 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 101.957 -3.349 . . . . 0.0 101.957 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.334 15.9 tpt180 . . . . . 0 C--N 1.377 1.774 0 C-N-CA 131.274 3.83 . . . . 0.0 114.209 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 . . . . . 0 C--O 1.238 0.471 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -88.88 122.2 32.02 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 102.737 -3.06 . . . . 0.0 102.737 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.23 74.8 10.38 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 102.403 -3.184 . . . . 0.0 102.403 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 . . . . . 0 C--N 1.375 1.715 0 C-N-CA 129.836 3.254 . . . . 0.0 111.298 -173.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 . . . . . 0 C--O 1.236 0.367 0 CA-C-O 121.959 0.885 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.61 117.34 29.87 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 104.096 -2.557 . . . . 0.0 104.096 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -85.27 80.99 8.98 Favored 'General case' 0 C--N 1.373 1.605 0 N-CA-C 103.252 -2.869 . . . . 0.0 103.252 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 2.7 tpt180 . . . . . 0 C--N 1.372 1.561 0 C-N-CA 130.11 3.364 . . . . 0.0 111.589 -175.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.739 0.781 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -83.63 111.79 19.44 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.266 -2.494 . . . . 0.0 104.266 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -82.47 82.11 8.03 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.251 20.3 tpt180 . . . . . 0 C--N 1.374 1.642 0 C-N-CA 130.828 3.651 . . . . 0.0 113.162 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -88.37 107.0 18.61 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 102.618 -3.104 . . . . 0.0 102.618 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.79 79.78 9.49 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.261 18.0 mmm180 . . . . . 0 C--N 1.377 1.798 0 C-N-CA 130.644 3.577 . . . . 0.0 112.547 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -90.07 101.92 14.63 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 101.875 -3.38 . . . . 0.0 101.875 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -83.54 78.46 9.66 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 . . . . . 0 C--N 1.373 1.619 0 C-N-CA 131.546 3.938 . . . . 0.0 113.127 -175.871 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 121.62 0.724 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.544 HH21 ' HD2' ' A' ' 48' ' ' ARG . 16.7 ttp-105 -89.57 108.87 19.92 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -83.57 89.9 7.17 Favored 'General case' 0 C--N 1.368 1.413 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.544 ' HD2' HH21 ' A' ' 46' ' ' ARG 0.265 7.4 tpt180 . . . . . 0 C--N 1.365 1.267 0 C-N-CA 131.436 3.895 . . . . 0.0 116.528 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 122.023 0.916 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -89.96 126.34 35.7 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.99 83.34 6.73 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 102.434 -3.173 . . . . 0.0 102.434 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.386 7.2 tpt180 . . . . . 0 C--N 1.372 1.558 0 C-N-CA 130.748 3.619 . . . . 0.0 113.544 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -99.06 118.76 36.54 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -79.54 86.92 5.15 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.433 31.9 tpt85 . . . . . 0 C--N 1.373 1.607 0 C-N-CA 130.201 3.4 . . . . 0.0 113.946 -171.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 . . . . . 0 C--O 1.235 0.312 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 ttt85 -95.42 100.82 12.53 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.04 85.04 5.67 Favored 'General case' 0 C--N 1.377 1.801 0 N-CA-C 102.93 -2.989 . . . . 0.0 102.93 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.379 5.5 tpt180 . . . . . 0 C--N 1.368 1.388 0 C-N-CA 131.477 3.911 . . . . 0.0 114.893 -173.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -87.21 112.95 22.51 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -89.8 65.18 6.68 Favored 'General case' 0 C--N 1.368 1.402 0 N-CA-C 103.048 -2.945 . . . . 0.0 103.048 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.404 7.0 tpt180 . . . . . 0 C--N 1.371 1.515 0 C-N-CA 131.516 3.926 . . . . 0.0 114.572 -173.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 . . . . . 0 C--O 1.237 0.446 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -80.82 118.67 22.54 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.66 80.46 9.0 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 100.988 -3.708 . . . . 0.0 100.988 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.361 5.6 tpt180 . . . . . 0 C--N 1.371 1.525 0 C-N-CA 130.166 3.386 . . . . 0.0 113.462 -172.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 . . . . . 0 C--O 1.239 0.528 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -86.52 108.7 18.67 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -84.64 74.45 10.42 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.975 -2.231 . . . . 0.0 104.975 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 . . . . . 0 C--N 1.373 1.597 0 C-N-CA 130.256 3.422 . . . . 0.0 112.538 -176.211 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 122.442 1.115 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -99.76 121.13 40.8 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 102.945 -2.983 . . . . 0.0 102.945 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -82.28 75.94 9.18 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.368 1.387 0 C-N-CA 128.858 2.863 . . . . 0.0 114.841 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 . . . . . 0 C--O 1.238 0.452 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -93.1 106.7 18.62 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 101.845 -3.391 . . . . 0.0 101.845 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.17 80.29 9.11 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 103.005 -2.961 . . . . 0.0 103.005 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 13.3 tpt180 . . . . . 0 C--N 1.374 1.64 0 C-N-CA 131.19 3.796 . . . . 0.0 112.708 -174.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.971 0.891 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -93.55 105.1 17.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 128.61 2.764 . . . . 0.0 103.634 177.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.81 84.89 6.74 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 178.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.265 17.6 tpt180 . . . . . 0 C--N 1.368 1.402 1 C-N-CA 131.73 4.012 . . . . 0.0 114.417 -176.439 . . . . . . . . 2 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 . . . . . 0 N--CA 1.465 0.31 0 CA-C-O 122.21 1.005 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -91.9 113.66 25.98 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 178.189 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -84.35 77.49 9.98 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 102.772 -3.048 . . . . 0.0 102.772 177.567 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.357 4.8 tpm_? . . . . . 0 C--N 1.375 1.71 1 C-N-CA 131.87 4.068 . . . . 0.0 112.733 -173.977 . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -80.24 89.58 5.49 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.747 2.019 . . . . 0.0 107.063 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -101.32 -66.19 0.93 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 126.759 2.024 . . . . 0.0 109.062 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -30.87 71.56 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 126.719 2.008 . . . . 0.0 115.252 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -61.25 -50.72 71.93 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.25 2.22 . . . . 0.0 111.388 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -58.55 3.21 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 127.49 2.316 . . . . 0.0 111.175 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -65.15 127.67 32.63 Favored 'General case' 0 C--N 1.375 1.686 0 C-N-CA 125.365 1.466 . . . . 0.0 110.433 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -115.82 153.68 31.04 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 125.98 1.712 . . . . 0.0 110.181 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -74.08 -113.55 0.01 OUTLIER 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.172 2.189 . . . . 0.0 109.911 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.85 123.99 34.15 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 119.908 1.231 . . . . 0.0 108.836 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -163.06 119.64 1.85 Allowed 'General case' 0 C--N 1.364 1.198 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -94.23 134.53 36.59 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 126.07 1.748 . . . . 0.0 108.976 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -91.93 104.68 17.07 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -85.52 79.87 9.26 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 103.073 -2.936 . . . . 0.0 103.073 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 12.93 70.57 0.01 OUTLIER 'General case' 0 C--N 1.38 1.929 0 C-N-CA 131.115 3.766 . . . . 0.0 112.228 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.328 50.8 mt-30 -59.89 -57.14 14.16 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 126.082 1.753 . . . . 0.0 115.62 -175.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? . . . . . 0 C--O 1.263 1.786 0 C-N-CA 128.589 2.756 . . . . 0.0 106.8 -179.646 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.344 0 O4'-C1'-N19 110.854 2.654 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.496 0 O4'-C1'-N19 110.531 2.331 . 0.957 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.618 ' H3 ' ' H61' ' B' ' 25' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.548 2.919 0 O4'-C1'-N19 112.154 3.954 . 0.944 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 0 O4'-C1'-N19 110.958 2.758 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.132 1 O4'-C1'-N19 112.89 4.69 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 1 O4'-C1'-N19 113.419 5.219 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.421 0 O4'-C1'-N19 111.458 3.258 . 0.341 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.568 3.993 0 C4'-C3'-O3' 118.118 2.891 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.579 -2.37 1 P-O3'-C3' 134.844 12.62 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.838 0 O4'-C1'-N19 111.36 3.16 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.857 0 O4'-C1'-N19 112.173 3.973 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.138 0 O5'-C5'-C4' 113.224 2.16 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.97 1 P-O3'-C3' 126.616 5.764 . 0.228 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.47 1 P-O3'-C3' 129.506 8.172 . 0.01 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.647 0 P-O3'-C3' 124.363 3.886 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.744 1 O4'-C1'-N19 113.193 4.993 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.097 1 P-O3'-C3' 124.608 4.09 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.641 1 O4'-C1'-N19 112.946 4.746 . 0.493 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.205 1 O4'-C1'-N19 112.923 4.723 . 0.337 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.37 2 O4'-C1'-N19 112.884 4.684 . 0.094 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.988 0 C3'-C2'-C1' 103.757 2.508 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.571 0 P-O3'-C3' 123.081 2.818 . 0.727 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.429 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.968 0 P-O3'-C3' 123.468 3.14 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.429 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.549 2.993 0 O4'-C1'-N19 111.555 3.355 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.618 ' H61' ' H3 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.499 0 O4'-C1'-N19 111.97 3.77 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.024 1 O4'-C1'-N19 112.58 4.38 . 0.874 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 1 O4'-C1'-N19 112.334 4.134 . 0.898 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.9 mmt-85 -149.4 131.6 15.46 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 126.596 1.958 . . . . 0.0 107.288 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -62.46 -16.8 57.37 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.079 2.152 . . . . 0.0 114.82 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.12 116.01 3.62 Favored 'General case' 0 C--N 1.367 1.353 0 C-N-CA 128.372 2.669 . . . . 0.0 104.533 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -71.01 117.7 12.84 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 124.46 1.104 . . . . 0.0 112.102 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.24 126.62 52.66 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 126.762 2.025 . . . . 0.0 108.988 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.43 116.32 0.15 Allowed 'General case' 0 C--N 1.373 1.617 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -76.34 119.89 20.85 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 124.803 1.241 . . . . 0.0 111.088 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -79.98 -88.21 0.07 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 126.359 1.864 . . . . 0.0 109.923 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.35 122.35 39.65 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.763 0.825 . . . . 0.0 112.077 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.2 115.0 0.02 OUTLIER 'General case' 0 C--N 1.373 1.594 0 C-N-CA 127.855 2.462 . . . . 0.0 105.536 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -81.44 112.64 18.88 Favored 'General case' 0 C--N 1.376 1.733 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -87.28 105.69 17.41 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 102.057 -3.312 . . . . 0.0 102.057 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.77 85.69 5.42 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.368 3.3 tpp85 14.97 71.7 0.01 OUTLIER 'General case' 0 C--N 1.37 1.464 0 C-N-CA 130.518 3.527 . . . . 0.0 113.828 -173.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.285 45.4 tt0 108.33 110.35 0.01 OUTLIER 'General case' 0 C--N 1.371 1.525 1 C-N-CA 132.131 4.172 . . . . 0.0 106.357 -178.309 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 . . . . . 0 C--O 1.261 1.661 0 C-N-CA 128.177 2.591 . . . . 0.0 109.669 -179.439 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 O4'-C1'-N19 110.307 2.107 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 P-O3'-C3' 123.755 3.38 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.972 1 O4'-C1'-N19 113.094 4.894 . 0.846 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.103 1 O4'-C1'-N19 112.6 4.4 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.853 1 O4'-C1'-N19 113.441 5.241 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.449 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.541 1 O4'-C1'-N19 113.994 5.794 . 0.75 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.449 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.56 3.83 1 O4'-C1'-N19 112.456 4.256 . 0.322 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.423 " H4'" " H5'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.557 2.946 1 P-O3'-C3' 125.34 4.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.423 " H5'" " H4'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.757 1 P-O3'-C3' 125.415 4.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.551 2.329 0 P-O3'-C3' 124.15 3.708 . 0.775 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.325 1 P-O3'-C3' 124.531 4.026 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.777 0 O4'-C1'-N19 111.528 3.328 . 0.458 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.699 0 P-O3'-C3' 123.586 3.238 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.588 0 O4'-C1'-N19 111.351 3.151 . 0.17 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.56 3.17 1 P-O3'-C3' 125.508 4.84 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.909 1 C3'-C2'-C1' 106.454 5.505 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.239 0 P-O3'-C3' 123.552 3.21 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.56 0 P-O3'-C3' 124.37 3.892 . 0.145 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.959 1 O4'-C1'-N19 112.637 4.437 . 0.077 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.562 3.383 1 P-O3'-C3' 124.752 4.21 . 0.155 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.429 0 O4'-C1'-N19 111.435 3.235 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.888 0 O4'-C1'-N19 111.037 2.837 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.888 0 P-O3'-C3' 123.078 2.815 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.891 1 O4'-C1'-N19 112.334 4.134 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.685 0 O4'-C1'-N19 111.5 3.3 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.953 1 O4'-C1'-N19 112.5 4.3 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.851 0 O4'-C1'-N19 112.138 3.938 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.99 63.42 0.7 Allowed 'General case' 0 C--N 1.364 1.237 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -171.8 156.22 4.16 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.394 2.677 . . . . 0.0 109.627 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.39 148.9 23.24 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.313 2.245 . . . . 0.0 110.573 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.71 -58.45 1.96 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.81 2.044 . . . . 0.0 109.988 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -87.25 164.92 16.04 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 128.413 2.685 . . . . 0.0 110.053 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -55.31 121.62 9.31 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 127.056 2.143 . . . . 0.0 109.823 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HD2' ' H41' ' B' ' 6' ' ' ' C' . 4.6 mmp_? -86.48 -76.82 0.34 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.4 1.88 . . . . 0.0 108.603 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.12 138.11 38.59 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 125.997 1.719 . . . . 0.0 109.383 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -95.63 98.32 10.4 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -134.79 137.04 43.01 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.387 1.875 . . . . 0.0 109.644 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -83.33 127.66 33.85 Favored 'General case' 0 C--N 1.369 1.445 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -100.37 116.09 31.51 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 102.286 -3.228 . . . . 0.0 102.286 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.27 81.51 8.13 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.324 18.8 tpt180 19.49 77.43 0.01 OUTLIER 'General case' 0 C--N 1.375 1.701 0 C-N-CA 130.76 3.624 . . . . 0.0 112.947 -173.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.254 9.8 tp-100 95.46 115.09 0.02 OUTLIER 'General case' 0 C--N 1.374 1.662 0 C-N-CA 130.662 3.585 . . . . 0.0 107.123 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.3 tpt85 . . . . . 0 C--O 1.262 1.719 0 C-N-CA 125.599 1.56 . . . . 0.0 107.741 179.308 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.256 0 O4'-C1'-N19 110.246 2.046 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.749 0 P-O3'-C3' 123.24 2.95 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.629 0 O4'-C1'-N19 112.045 3.845 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 0 O4'-C1'-N19 111.47 3.27 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.005 1 O4'-C1'-N19 113.354 5.154 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.451 ' H41' ' HD2' ' A' ' 41' ' ' ARG . . . . . . . . 0 C5'--C4' 1.548 2.918 1 O4'-C1'-N19 113.292 5.092 . 0.727 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 1 O4'-C1'-N19 112.715 4.515 . 0.741 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 3.116 1 P-O3'-C3' 125.689 4.991 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.761 1 P-O3'-C3' 138.76 15.883 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.195 0 O4'-C1'-N19 111.602 3.402 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.57 0 O4'-C1'-N19 111.333 3.133 . 0.489 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.619 0 O4'-C1'-N19 111.119 2.919 . 0.466 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.9 0 P-O3'-C3' 124.116 3.68 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 2.623 1 P-O3'-C3' 125.585 4.904 . 0.017 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 2.551 0 P-O3'-C3' 123.856 3.463 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.046 0 O4'-C1'-N19 111.755 3.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.778 1 P-O3'-C3' 124.57 4.058 . 0.065 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.553 2.546 1 P-O3'-C3' 125.14 4.533 . 0.129 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.724 0 O4'-C1'-N19 111.925 3.725 . 0.482 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 2.969 0 C3'-C2'-C1' 104.875 3.751 . 0.636 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.463 " H2'" ' H8 ' ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.463 1 O4'-C1'-N19 112.706 4.506 . 0.574 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . 0.463 ' H8 ' " H2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.846 0 OP1-P-OP2 115.854 -2.497 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 0 P-O3'-C3' 123.318 3.015 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.841 1 O4'-C1'-N19 112.477 4.277 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.702 0 P-O3'-C3' 123.024 2.77 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.764 1 O4'-C1'-N19 112.787 4.587 . 0.881 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 0 O4'-C1'-N19 112.047 3.847 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 N--CA 1.496 1.836 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -143.86 120.49 11.12 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.068 2.547 . . . . 0.0 104.784 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -64.31 148.82 49.44 Favored 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 128.225 2.61 . . . . 0.0 112.012 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.15 -70.94 0.77 Allowed 'General case' 0 C--N 1.349 0.571 0 C-N-CA 127.269 2.228 . . . . 0.0 109.528 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 125.91 28.66 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 125.957 1.703 . . . . 0.0 109.209 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.09 141.25 44.19 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 126.914 2.086 . . . . 0.0 109.0 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -158.19 -66.55 0.09 Allowed 'General case' 0 C--N 1.368 1.394 0 N-CA-C 104.478 -2.415 . . . . 0.0 104.478 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . 0.254 0.8 OUTLIER 74.98 136.05 0.06 Allowed 'General case' 0 C--N 1.379 1.856 0 C-N-CA 129.148 2.979 . . . . 0.0 112.686 178.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -65.2 174.54 2.0 Allowed 'General case' 0 C--N 1.364 1.23 0 C-N-CA 128.552 2.741 . . . . 0.0 113.328 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -89.72 115.63 27.23 Favored 'General case' 0 C--N 1.37 1.476 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.44 113.44 9.82 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 101.812 -3.403 . . . . 0.0 101.812 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -62.81 121.92 14.64 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-O 122.172 0.987 . . . . 0.0 109.614 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.672 ' HA ' ' H22' ' B' ' 9' ' ' ' G' . 19.2 ttm105 -93.51 110.2 21.78 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -85.48 83.0 8.06 Favored 'General case' 0 C--N 1.372 1.549 0 N-CA-C 101.443 -3.54 . . . . 0.0 101.443 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.362 10.4 tpt180 13.77 75.74 0.01 OUTLIER 'General case' 0 C--N 1.367 1.338 0 C-N-CA 131.256 3.823 . . . . 0.0 114.72 -173.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.407 1.0 OUTLIER 49.56 98.22 0.01 OUTLIER 'General case' 0 C--N 1.368 1.408 0 C-N-CA 131.334 3.854 . . . . 0.0 116.649 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? . . . . . 0 C--O 1.262 1.744 0 C-N-CA 127.598 2.359 . . . . 0.0 105.011 176.896 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.166 0 O4'-C1'-N19 110.437 2.237 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.635 0 O4'-C1'-N19 111.203 3.003 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 1 O4'-C1'-N19 112.806 4.606 . 0.881 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.621 0 P-O3'-C3' 122.923 2.686 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.91 1 O4'-C1'-N19 113.086 4.886 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.951 1 O4'-C1'-N19 114.298 6.098 . 0.471 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.684 1 O4'-C1'-N19 112.926 4.726 . 0.659 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.56 3.175 0 C4'-C3'-C2' 106.03 3.33 . 0.619 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.672 ' H22' ' HA ' ' A' ' 46' ' ' ARG . . . . . . . . 0 C5'--C4' 1.546 2.75 0 P-O3'-C3' 123.592 3.244 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.58 -2.222 0 P-O3'-C3' 123.569 3.224 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.944 0 O4'-C1'-N19 110.733 2.533 . 0.781 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.496 0 O4'-C1'-N19 110.748 2.548 . 0.499 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.89 0 P-O3'-C3' 122.37 2.225 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.653 2 P-O3'-C3' 125.586 4.905 . 0.067 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.215 1 P-O3'-C3' 124.537 4.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.561 3.295 3 N19-C1'-C2' 120.425 4.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.463 0 N19-C1'-C2' 117.199 2.374 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.782 2 O4'-C1'-N19 113.614 5.414 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.2 2 O4'-C1'-N19 112.525 4.325 . 0.149 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.464 2 P-O3'-C3' 125.425 4.771 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.101 0 OP1-P-OP2 116.586 -2.009 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.148 0 N19-C1'-C2' 119.493 3.808 . 0.174 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.502 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.838 0 P-O3'-C3' 122.626 2.438 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.502 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.88 0 O4'-C1'-N19 112.179 3.979 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.636 0 O4'-C1'-N19 111.483 3.283 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.001 1 O4'-C1'-N19 112.943 4.743 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.955 0 O4'-C1'-N19 112.19 3.99 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.49 -26.92 63.83 Favored 'General case' 0 C--N 1.369 1.42 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -177.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -85.3 -65.4 1.01 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 127.414 2.286 . . . . 0.0 108.334 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.43 128.04 56.2 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 125.728 1.611 . . . . 0.0 107.861 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.329 25.7 mmt180 80.02 54.97 0.02 OUTLIER 'General case' 0 C--N 1.364 1.198 0 C-N-CA 129.452 3.101 . . . . 0.0 110.899 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.1 ttp-105 -93.16 -67.72 0.84 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 129.018 2.927 . . . . 0.0 110.431 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -77.6 143.71 38.06 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 126.865 2.066 . . . . 0.0 112.081 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.05 162.09 26.13 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 126.721 2.009 . . . . 0.0 112.509 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.1 mtm105 -62.88 177.77 0.53 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.021 2.928 . . . . 0.0 113.542 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -84.01 97.17 9.13 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 103.172 -2.899 . . . . 0.0 103.172 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 ttp-105 -139.04 126.85 22.1 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.162 1.785 . . . . 0.0 107.894 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -82.04 132.97 35.26 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-O 122.843 1.306 . . . . 0.0 109.822 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.518 ' HA ' ' H1 ' ' B' ' 9' ' ' ' G' . 75.5 mtp180 -100.36 104.5 15.94 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.87 77.87 10.01 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 102.036 -3.32 . . . . 0.0 102.036 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.333 22.1 mmm180 3.19 70.96 0.0 OUTLIER 'General case' 0 C--N 1.375 1.685 1 C-N-CA 131.974 4.11 . . . . 0.0 114.956 -174.097 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 73.68 107.18 0.07 Allowed 'General case' 0 C--N 1.375 1.681 0 C-N-CA 128.432 2.693 . . . . 0.0 109.674 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 . . . . . 0 C--O 1.261 1.708 0 C-N-CA 126.812 2.045 . . . . 0.0 107.413 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.141 0 O4'-C1'-N19 110.641 2.441 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.55 3.052 0 O4'-C1'-N19 111.554 3.354 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.415 ' C6 ' " H2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 2.962 1 O4'-C1'-N19 112.692 4.492 . 0.862 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 0 O4'-C1'-N19 111.239 3.039 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.133 1 O4'-C1'-N19 113.474 5.274 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.751 1 O4'-C1'-N19 114.25 6.05 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.241 0 O4'-C1'-N19 111.912 3.712 . 0.137 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.565 3.69 0 C2'-C3'-O3' 120.037 3.227 OUTLIER-DELTA 0.0 OUTLIER '7D dist 2g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.518 ' H1 ' ' HA ' ' A' ' 46' ' ' ARG . . . . . . . . 0 P--O3' 1.571 -3.011 1 P-O3'-C3' 134.55 12.375 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.335 0 O4'-C1'-N19 112.136 3.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.095 0 O4'-C1'-N19 111.026 2.826 . 0.116 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.551 0 N19-C1'-C2' 117.877 2.798 . 0.693 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.556 0 P-O3'-C3' 123.691 3.326 . 0.391 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.73 1 P-O3'-C3' 132.0 10.25 . 0.123 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 2.686 0 P-O3'-C3' 123.189 2.907 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.368 1 O4'-C1'-N19 112.32 4.12 . 0.291 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.167 1 P-O3'-C3' 125.764 5.053 . 0.204 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.848 0 C3'-C2'-C1' 104.96 3.844 . 0.235 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.943 1 O4'-C1'-N19 113.313 5.113 . 0.351 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.861 1 O4'-C1'-N19 113.204 5.004 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.89 0 O4'-C1'-N19 111.04 2.84 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.586 0 N19-C1'-C2' 118.322 3.076 . 0.698 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.545 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.075 0 P-O3'-C3' 123.512 3.177 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.545 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.092 1 P-O3'-C3' 124.534 4.028 . 0.799 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.732 0 O4'-C1'-N19 110.994 2.794 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.157 1 O4'-C1'-N19 112.5 4.3 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.902 0 O4'-C1'-N19 111.984 3.784 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.501 2.122 0 CA-C-O 121.458 0.647 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 tpt85 -64.19 -48.84 74.37 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 127.118 2.167 . . . . 0.0 112.765 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -175.73 139.34 0.41 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 130.76 3.624 . . . . 0.0 108.956 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 72.71 162.4 0.26 Allowed 'General case' 0 C--N 1.366 1.308 0 C-N-CA 127.998 2.519 . . . . 0.0 114.152 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.346 50.5 ttt-85 77.58 -74.54 0.07 Allowed 'General case' 0 C--N 1.367 1.362 0 C-N-CA 130.459 3.504 . . . . 0.0 109.478 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -84.41 -65.53 1.0 Allowed 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.876 1.67 . . . . 0.0 110.41 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -92.11 115.98 28.54 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.087 1.755 . . . . 0.0 107.769 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -81.6 152.85 26.99 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 124.523 1.129 . . . . 0.0 111.271 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -74.19 -116.04 0.01 OUTLIER 'General case' 0 C--N 1.37 1.486 0 C-N-CA 127.875 2.47 . . . . 0.0 110.08 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -116.25 116.1 27.16 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -142.33 119.37 11.34 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 125.883 1.673 . . . . 0.0 109.815 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -112.76 127.28 56.1 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.803 1.641 . . . . 0.0 106.628 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -101.76 115.91 31.57 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 102.964 -2.976 . . . . 0.0 102.964 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.72 83.95 5.61 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 101.957 -3.349 . . . . 0.0 101.957 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.334 15.9 tpt180 8.05 71.6 0.01 OUTLIER 'General case' 0 C--N 1.377 1.774 0 C-N-CA 131.274 3.83 . . . . 0.0 114.209 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -116.35 79.85 1.37 Allowed 'General case' 0 C--N 1.369 1.435 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 . . . . . 0 C--O 1.261 1.66 0 C-N-CA 126.272 1.829 . . . . 0.0 108.474 -179.503 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.685 0 O4'-C1'-N19 110.477 2.277 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.473 " H2'" ' C6 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.756 0 O4'-C1'-N19 111.35 3.15 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.473 ' C6 ' " H2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 2.971 1 O4'-C1'-N19 112.778 4.578 . 0.869 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.886 0 O4'-C1'-N19 111.009 2.809 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.924 1 O4'-C1'-N19 112.295 4.095 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.883 1 O4'-C1'-N19 113.691 5.491 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.452 1 O4'-C1'-N19 112.744 4.544 . 0.337 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.567 3.881 0 C1'-O4'-C4' 106.988 -2.902 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.487 1 P-O3'-C3' 134.966 12.722 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.125 0 O4'-C1'-N19 111.12 2.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.555 2.669 0 P-O3'-C3' 124.04 3.617 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 0 O4'-C1'-N19 112.091 3.891 . 0.24 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.05 0 P-O5'-C5' 116.777 -2.577 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.565 0 P-O3'-C3' 124.392 3.91 . 0.621 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 0 P-O3'-C3' 124.486 3.988 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.811 1 P-O3'-C3' 125.771 5.059 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.165 1 P-O3'-C3' 125.148 4.54 . 0.068 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.495 1 O4'-C1'-N19 113.384 5.184 . 0.652 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.742 1 O4'-C1'-N19 112.227 4.027 . 0.689 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.728 1 O4'-C1'-N19 114.019 5.819 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.335 0 O4'-C1'-N19 111.504 3.304 . 0.027 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.674 0 P-O3'-C3' 124.178 3.731 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.447 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.068 0 P-O3'-C3' 123.199 2.916 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.447 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.838 0 O4'-C1'-N19 111.722 3.522 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.585 0 O4'-C1'-N19 111.209 3.009 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 1 O4'-C1'-N19 112.673 4.473 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.003 0 O4'-C1'-N19 111.945 3.745 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.322 0.582 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.28 9.0 24.65 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 124.993 1.317 . . . . 0.0 112.319 176.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.03 -61.6 1.38 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.926 3.291 . . . . 0.0 106.951 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -162.91 -95.97 0.02 OUTLIER 'General case' 0 C--N 1.378 1.805 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.31 17.0 tpt180 44.59 -93.96 0.02 OUTLIER 'General case' 0 C--N 1.373 1.596 0 C-N-CA 130.43 3.492 . . . . 0.0 114.101 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -60.46 -40.6 91.79 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 127.074 2.15 . . . . 0.0 112.061 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -59.68 -36.55 76.69 Favored 'General case' 0 C--N 1.372 1.563 0 C-N-CA 127.092 2.157 . . . . 0.0 110.484 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . 0.331 37.7 mmt180 81.84 -125.21 0.01 OUTLIER 'General case' 0 C--N 1.376 1.75 0 C-N-CA 130.226 3.411 . . . . 0.0 109.233 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.7 139.47 33.65 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.876 2.071 . . . . 0.0 108.118 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.1 ttm105 -96.32 100.98 12.55 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -144.66 141.26 29.21 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.325 2.65 . . . . 0.0 107.361 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -79.02 117.95 20.56 Favored 'General case' 0 C--N 1.371 1.503 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.511 ' HG3' ' H ' ' A' ' 49' ' ' GLN . 2.3 ptp180 -88.88 122.2 32.02 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 102.737 -3.06 . . . . 0.0 102.737 175.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.23 74.8 10.38 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 102.403 -3.184 . . . . 0.0 102.403 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.47 HH21 ' HE ' ' A' ' 50' ' ' ARG . 11.3 tpt180 32.15 77.3 0.03 OUTLIER 'General case' 0 C--N 1.375 1.715 0 C-N-CA 129.836 3.254 . . . . 0.0 111.298 -173.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' H ' ' HG3' ' A' ' 46' ' ' ARG 0.331 4.7 pt20 -64.45 4.25 0.39 Allowed 'General case' 0 C--N 1.375 1.717 0 N-CA-C 120.435 3.494 . . . . 0.0 120.435 -175.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.47 ' HE ' HH21 ' A' ' 48' ' ' ARG . 51.1 ptt85 . . . . . 0 C--O 1.26 1.641 0 C-N-CA 125.614 1.566 . . . . 0.0 108.638 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.136 0 O4'-C1'-N19 110.592 2.392 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.211 0 P-O3'-C3' 124.354 3.878 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.306 1 O4'-C1'-N19 112.674 4.474 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 0 O4'-C1'-N19 111.474 3.274 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.178 1 O4'-C1'-N19 112.76 4.56 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.093 1 O4'-C1'-N19 112.785 4.585 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.129 1 O4'-C1'-N19 112.356 4.156 . 0.613 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.564 3.598 0 O5'-C5'-C4' 114.584 3.132 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.714 0 P-O3'-C3' 124.239 3.783 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 1 O4'-C1'-N19 113.743 5.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.308 0 O4'-C1'-N19 111.25 3.05 . 0.583 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.796 0 O4'-C1'-N19 111.525 3.325 . 0.447 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.442 0 P-O3'-C3' 124.132 3.694 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.495 1 P-O3'-C3' 126.052 5.293 . 0.127 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.404 1 P-O3'-C3' 125.43 4.775 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.841 0 O4'-C1'-N19 112.023 3.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.15 2 P-O3'-C3' 125.031 4.442 . 0.527 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.384 1 O4'-C1'-N19 113.186 4.986 . 0.553 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.366 1 O4'-C1'-N19 112.931 4.731 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.915 1 O4'-C1'-N19 113.376 5.176 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.844 0 O4'-C1'-N19 111.136 2.936 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . 0.466 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.749 0 O4'-C1'-N19 111.745 3.545 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.49 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.959 0 O4'-C1'-N19 111.318 3.118 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.49 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.059 0 O4'-C1'-N19 112.075 3.875 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.723 0 O4'-C1'-N19 110.919 2.719 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.041 1 O4'-C1'-N19 112.522 4.322 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.03 0 O4'-C1'-N19 111.969 3.769 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.9 p . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.07 0.462 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.31 91.47 8.8 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.287 67.3 mt-30 74.88 -65.53 0.34 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 128.699 2.8 . . . . 0.0 110.898 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . 0.28 . . 97.4 -107.16 0.0 OUTLIER 'General case' 0 C--N 1.377 1.78 0 C-N-CA 129.932 3.293 . . . . 0.0 106.755 -178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -134.62 116.87 15.49 Favored 'General case' 0 C--N 1.37 1.498 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HE ' " C5'" ' B' ' 19' ' ' ' U' . 0.0 OUTLIER -88.75 74.49 8.33 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 127.703 2.401 . . . . 0.0 106.858 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -100.74 125.12 47.17 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.872 2.069 . . . . 0.0 107.654 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.676 ' HE ' ' HA ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -127.02 130.43 49.99 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.181 1.793 . . . . 0.0 107.918 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.269 29.3 mmt180 -68.52 -103.78 0.0 OUTLIER 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.309 2.244 . . . . 0.0 113.652 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -124.38 126.24 45.63 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 119.928 1.24 . . . . 0.0 111.37 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.32 114.69 1.94 Allowed 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.839 2.055 . . . . 0.0 106.023 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -93.82 128.77 40.26 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 125.195 1.398 . . . . 0.0 109.279 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.61 117.34 29.87 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 104.096 -2.557 . . . . 0.0 104.096 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -85.27 80.99 8.98 Favored 'General case' 0 C--N 1.373 1.605 0 N-CA-C 103.252 -2.869 . . . . 0.0 103.252 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 2.7 tpt180 31.51 70.62 0.09 Allowed 'General case' 0 C--N 1.372 1.561 0 C-N-CA 130.11 3.364 . . . . 0.0 111.589 -175.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.272 24.9 tt0 90.85 102.23 0.02 OUTLIER 'General case' 0 C--N 1.37 1.483 0 C-N-CA 130.311 3.444 . . . . 0.0 106.599 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 . . . . . 0 C--O 1.26 1.639 0 C-N-CA 128.001 2.52 . . . . 0.0 111.142 179.754 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.219 0 O4'-C1'-N19 111.463 3.263 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 0 O4'-C1'-N19 111.326 3.126 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.122 1 O4'-C1'-N19 112.458 4.258 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.55 0 O4'-C1'-N19 111.4 3.2 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 1 O4'-C1'-N19 113.259 5.059 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.417 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.755 1 O4'-C1'-N19 114.273 6.073 . 0.678 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.417 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.188 1 O4'-C1'-N19 113.376 5.176 . 0.804 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.576 4.78 0 C1'-O4'-C4' 106.651 -3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.735 0 P-O5'-C5' 124.654 2.346 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.251 0 O4'-C1'-N19 111.496 3.296 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 P-O3'-C3' 124.325 3.855 . 0.477 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.832 0 P-O3'-C3' 122.334 2.195 . 0.408 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.922 0 P-O3'-C3' 123.594 3.245 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.871 1 P-O3'-C3' 126.756 5.88 . 0.516 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.406 0 P-O3'-C3' 123.883 3.486 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.685 1 C3'-C2'-C1' 105.299 4.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.246 0 P-O3'-C3' 123.476 3.146 . 0.022 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.635 2 O4'-C1'-N19 114.343 6.143 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . 0.42 " C5'" ' HE ' ' A' ' 39' ' ' ARG . . . . . . . . 0 C5'--C4' 1.55 3.112 1 O4'-C1'-N19 112.833 4.633 . 0.286 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.038 0 P-O3'-C3' 123.236 2.946 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.799 0 O4'-C1'-N19 111.313 3.113 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . 0.412 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.541 2.368 0 N19-C1'-C2' 117.267 2.417 . 0.571 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.435 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.741 1 P-O3'-C3' 124.728 4.19 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.435 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.81 0 O4'-C1'-N19 111.895 3.695 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.631 0 O4'-C1'-N19 111.007 2.807 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.821 1 O4'-C1'-N19 112.86 4.66 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.975 0 O4'-C1'-N19 112.129 3.929 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -82.17 97.89 8.44 Favored 'General case' 0 C--N 1.371 1.539 0 N-CA-C 104.181 -2.526 . . . . 0.0 104.181 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.31 16.4 pt20 50.95 82.99 0.05 Allowed 'General case' 0 C--N 1.363 1.182 0 C-N-CA 128.814 2.846 . . . . 0.0 111.116 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.55 -63.8 1.05 Allowed 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.528 1.931 . . . . 0.0 110.644 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -61.76 130.6 46.54 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 126.838 2.055 . . . . 0.0 111.369 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -79.42 -79.43 0.14 Allowed 'General case' 0 C--N 1.369 1.442 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -90.06 111.48 22.61 Favored 'General case' 0 C--N 1.379 1.853 0 N-CA-C 102.758 -3.053 . . . . 0.0 102.758 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -80.51 0.04 OUTLIER 'General case' 0 C--N 1.365 1.253 0 C-N-CA 125.252 1.421 . . . . 0.0 111.389 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -115.23 138.98 50.35 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 126.905 2.082 . . . . 0.0 110.051 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -106.68 93.67 4.71 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 103.941 -2.614 . . . . 0.0 103.941 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -149.61 139.53 21.94 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.226 2.61 . . . . 0.0 106.744 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -65.41 116.68 6.97 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 125.578 1.551 . . . . 0.0 110.944 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -83.63 111.79 19.44 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.266 -2.494 . . . . 0.0 104.266 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -82.47 82.11 8.03 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.251 20.3 tpt180 19.13 67.97 0.02 OUTLIER 'General case' 0 C--N 1.374 1.642 0 C-N-CA 130.828 3.651 . . . . 0.0 113.162 -175.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.275 35.4 tt0 79.72 103.46 0.07 Allowed 'General case' 0 C--N 1.374 1.636 0 C-N-CA 128.765 2.826 . . . . 0.0 108.057 -177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--O 1.261 1.697 0 C-N-CA 128.146 2.579 . . . . 0.0 109.482 -179.181 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.015 0 O4'-C1'-N19 110.053 1.853 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.201 0 N19-C1'-C2' 118.355 3.097 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.086 1 O4'-C1'-N19 112.712 4.512 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.976 0 O4'-C1'-N19 111.54 3.34 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.918 1 O4'-C1'-N19 112.756 4.556 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.905 1 O4'-C1'-N19 113.052 4.852 . 0.836 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.491 " H3'" " H5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.55 3.043 0 O4'-C1'-N19 112.012 3.812 . 0.835 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.491 " H5'" " H3'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.563 3.501 0 C4'-C3'-C2' 106.346 3.646 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.218 1 P-O3'-C3' 135.055 12.795 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.65 1 P-O3'-C3' 124.876 4.313 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.571 1 P-O3'-C3' 125.576 4.897 . 0.204 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.758 0 O4'-C1'-N19 111.254 3.054 . 0.17 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.148 0 C4'-C3'-C2' 105.254 2.554 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.579 -2.369 1 P-O3'-C3' 125.38 4.733 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.354 2 P-O3'-C3' 125.058 4.465 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 2 O4'-C1'-N19 112.585 4.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.617 1 P-O3'-C3' 125.559 4.882 . 0.013 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.967 1 O4'-C1'-N19 113.453 5.253 . 0.305 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.741 1 O4'-C1'-N19 112.48 4.28 . 0.727 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 1 C3'-C2'-C1' 105.34 4.266 OUTLIER-DELTA 0.013 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.414 0 O4'-C1'-N19 111.141 2.941 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . 0.451 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.539 2.254 0 O4'-C1'-N19 110.976 2.776 . 0.641 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.451 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.208 1 P-O3'-C3' 124.604 4.087 . 0.731 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.001 0 P-O3'-C3' 123.941 3.534 . 0.902 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.712 0 P-O3'-C3' 122.904 2.67 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.868 1 O4'-C1'-N19 112.256 4.056 . 0.895 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.124 0 O4'-C1'-N19 112.08 3.88 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.499 1.984 0 CA-C-O 119.043 -0.503 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -149.48 136.15 19.42 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 126.514 1.926 . . . . 0.0 108.091 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.268 67.4 mm-40 79.34 -49.08 0.4 Allowed 'General case' 0 C--N 1.361 1.094 0 C-N-CA 129.114 2.966 . . . . 0.0 112.133 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.22 -99.0 0.01 OUTLIER 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.245 2.618 . . . . 0.0 109.031 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.04 162.08 15.77 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.192 2.197 . . . . 0.0 109.813 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.348 18.5 ptt180 53.68 64.37 1.86 Allowed 'General case' 0 C--N 1.366 1.299 0 C-N-CA 127.47 2.308 . . . . 0.0 113.894 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -142.74 90.25 2.2 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -115.66 110.09 18.67 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.726 1.61 . . . . 0.0 108.594 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -145.5 52.78 1.18 Allowed 'General case' 0 C--N 1.37 1.495 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -178.488 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -131.0 74.87 1.62 Allowed 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -171.79 140.29 1.27 Allowed 'General case' 0 C--N 1.374 1.668 0 C-N-CA 124.732 1.213 . . . . 0.0 110.1 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -111.01 119.56 39.46 Favored 'General case' 0 C--N 1.367 1.338 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -88.37 107.0 18.61 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 102.618 -3.104 . . . . 0.0 102.618 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.79 79.78 9.49 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.261 18.0 mmm180 17.57 74.57 0.01 OUTLIER 'General case' 0 C--N 1.377 1.798 0 C-N-CA 130.644 3.577 . . . . 0.0 112.547 -175.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -140.26 95.46 2.89 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 127.003 2.121 . . . . 0.0 106.093 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 C--O 1.26 1.609 0 C-N-CA 125.946 1.698 . . . . 0.0 107.46 -179.77 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.309 0 O4'-C1'-N19 110.322 2.122 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.486 0 P-O3'-C3' 124.375 3.896 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.088 1 O4'-C1'-N19 112.228 4.028 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.643 0 O4'-C1'-N19 110.969 2.769 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 1 O4'-C1'-N19 112.538 4.338 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.75 1 O4'-C1'-N19 114.119 5.919 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.173 1 O4'-C1'-N19 112.918 4.718 . 0.306 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.562 3.393 0 P-O3'-C3' 124.472 3.977 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 1 P-O3'-C3' 125.881 5.151 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 O4'-C1'-N19 112.162 3.962 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.396 0 P-O3'-C3' 122.812 2.594 . 0.736 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.375 0 N19-C1'-C2' 118.925 3.453 . 0.41 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 1 P-O3'-C3' 126.171 5.393 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.922 1 P-O3'-C3' 125.396 4.747 . 0.653 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.273 1 P-O3'-C3' 127.122 6.185 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.806 1 O4'-C1'-N19 112.462 4.262 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.44 0 P-O3'-C3' 124.375 3.896 . 0.35 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 1 O4'-C1'-N19 113.875 5.675 . 0.66 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.937 1 O4'-C1'-N19 112.484 4.284 . 0.62 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 3.032 0 C3'-C2'-C1' 104.637 3.486 . 0.313 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.881 0 P-O3'-C3' 123.272 2.977 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . 0.475 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.522 0 O4'-C1'-N19 111.005 2.805 . 0.484 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.475 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.66 1 P-O3'-C3' 124.79 4.242 . 0.792 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 0 O4'-C1'-N19 112.079 3.879 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.588 0 O4'-C1'-N19 111.29 3.09 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.695 1 O4'-C1'-N19 112.574 4.374 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.87 0 O4'-C1'-N19 111.862 3.662 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -92.07 90.96 7.59 Favored 'General case' 0 C--N 1.373 1.618 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -115.99 131.94 56.79 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 129.145 2.978 . . . . 0.0 103.855 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.61 101.57 0.04 OUTLIER 'General case' 0 C--N 1.369 1.435 0 C-N-CA 126.624 1.97 . . . . 0.0 111.219 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -150.19 -30.69 0.21 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 130.696 3.598 . . . . 0.0 109.754 -176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -75.81 118.71 18.91 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 128.385 2.674 . . . . 0.0 107.907 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . 0.271 40.4 t30 69.69 100.38 0.06 Allowed 'General case' 0 C--N 1.374 1.652 0 C-N-CA 128.452 2.701 . . . . 0.0 109.098 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -105.43 -156.98 0.59 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.871 2.068 . . . . 0.0 110.143 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 175.38 2.76 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.464 2.705 . . . . 0.0 110.726 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -78.75 116.64 19.23 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -140.59 134.31 30.35 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 127.997 2.519 . . . . 0.0 107.453 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -96.9 130.91 44.12 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 125.409 1.483 . . . . 0.0 107.174 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -90.07 101.92 14.63 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 101.875 -3.38 . . . . 0.0 101.875 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -83.54 78.46 9.66 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.709 ' HE ' ' HE ' ' A' ' 50' ' ' ARG . 9.8 tpt180 12.13 68.47 0.01 OUTLIER 'General case' 0 C--N 1.373 1.619 0 C-N-CA 131.546 3.938 . . . . 0.0 113.127 -175.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.284 19.3 pt20 -92.21 68.91 5.16 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 125.874 1.67 . . . . 0.0 110.713 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.709 ' HE ' ' HE ' ' A' ' 48' ' ' ARG . 99.8 mtt180 . . . . . 0 C--O 1.262 1.741 0 C-N-CA 128.375 2.67 . . . . 0.0 109.66 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.077 0 O4'-C1'-N19 110.908 2.708 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.739 0 O4'-C1'-N19 111.583 3.383 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.949 1 O4'-C1'-N19 113.342 5.142 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.045 0 P-O3'-C3' 123.79 3.408 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.926 1 O4'-C1'-N19 112.544 4.344 . 0.889 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.513 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.548 2.957 1 O4'-C1'-N19 113.253 5.053 . 0.755 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.513 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.554 3.409 1 O4'-C1'-N19 112.573 4.373 . 0.373 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.561 3.255 0 P-O3'-C3' 124.062 3.635 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 1 P-O3'-C3' 125.656 4.964 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.104 0 P-O3'-C3' 123.254 2.962 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.552 2.386 0 O4'-C4'-C3' 101.151 -3.107 . 0.2 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 O4'-C1'-N19 110.872 2.672 . 0.257 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.432 " H4'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.54 2.295 0 C3'-C2'-C1' 104.169 2.965 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.692 0 O4'-C1'-N19 111.373 3.173 . 0.289 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.495 1 P-O3'-C3' 126.726 5.855 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.725 0 O4'-C1'-N19 111.64 3.44 OUTLIER-DELTA 0.4 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.432 ' H22' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.74 0 P-O3'-C3' 124.031 3.609 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.407 2 O4'-C1'-N19 115.035 6.835 . 0.698 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.259 1 O4'-C1'-N19 113.047 4.847 . 0.184 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.479 1 O4'-C1'-N19 112.664 4.464 . 0.02 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.604 0 O4'-C1'-N19 110.803 2.603 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . 0.431 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.508 0 O4'-C1'-N19 111.571 3.371 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.431 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.548 2.892 0 P-O3'-C3' 123.99 3.575 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.943 1 O4'-C1'-N19 112.386 4.186 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 0 O4'-C1'-N19 111.388 3.188 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.897 1 O4'-C1'-N19 112.284 4.084 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.448 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.891 0 O4'-C1'-N19 112.186 3.986 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -153.02 117.21 4.88 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.581 1.953 . . . . 0.0 105.936 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.304 66.9 mt-30 70.74 -77.17 0.06 Allowed 'General case' 0 C--N 1.37 1.467 0 C-N-CA 127.199 2.2 . . . . 0.0 108.755 -177.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.84 -163.92 1.34 Allowed 'General case' 0 C--N 1.368 1.378 0 C-N-CA 127.488 2.315 . . . . 0.0 108.316 177.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 74.15 107.85 0.07 Allowed 'General case' 0 C--N 1.37 1.487 0 C-N-CA 128.414 2.685 . . . . 0.0 107.642 -177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.352 34.4 ttm105 70.66 -83.16 0.03 OUTLIER 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.024 2.53 . . . . 0.0 107.911 -177.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -89.89 133.52 34.71 Favored 'General case' 0 C--N 1.373 1.62 0 CA-C-N 120.035 1.289 . . . . 0.0 109.307 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -94.15 105.94 17.93 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 101.007 -3.701 . . . . 0.0 101.007 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.37 5.1 tpm_? -21.58 -87.55 0.0 OUTLIER 'General case' 0 C--N 1.367 1.359 0 C-N-CA 131.11 3.764 . . . . 0.0 118.134 -173.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -112.94 107.47 16.05 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -161.89 124.18 2.91 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 125.701 1.6 . . . . 0.0 107.249 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -84.41 133.23 34.51 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.538 1.935 . . . . 0.0 111.007 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.544 HH21 ' HD2' ' A' ' 48' ' ' ARG . 16.7 ttp-105 -89.57 108.87 19.92 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -83.57 89.9 7.17 Favored 'General case' 0 C--N 1.368 1.413 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.544 ' HD2' HH21 ' A' ' 46' ' ' ARG 0.265 7.4 tpt180 22.31 54.55 0.02 OUTLIER 'General case' 0 C--N 1.365 1.267 0 C-N-CA 131.436 3.895 . . . . 0.0 116.528 -177.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.396 0.1 OUTLIER 43.25 95.74 0.01 OUTLIER 'General case' 0 C--N 1.378 1.836 0 C-N-CA 128.82 2.848 . . . . 0.0 114.098 179.381 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.568 ' H ' ' HD2' ' A' ' 50' ' ' ARG . 3.4 mpt_? . . . . . 0 C--O 1.262 1.715 0 C-N-CA 128.849 2.86 . . . . 0.0 110.769 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.31 0 O4'-C1'-N19 110.349 2.149 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.548 0 P-O3'-C3' 122.561 2.384 . 0.932 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.959 0 O4'-C1'-N19 112.07 3.87 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.481 0 O4'-C1'-N19 111.173 2.973 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.784 1 O4'-C1'-N19 112.679 4.479 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.668 1 O4'-C1'-N19 114.12 5.92 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.201 1 O4'-C1'-N19 112.675 4.475 . 0.901 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 5.018 0 P-O3'-C3' 122.936 2.697 . 0.498 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.557 2.881 0 P-O3'-C3' 124.388 3.907 OUTLIER-EPSILON 0.077 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . 0.401 ' H1 ' ' H42' ' B' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.539 2.25 1 P-O3'-C3' 132.48 10.65 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.585 0 P-O3'-C3' 124.097 3.664 . 0.127 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.629 0 O4'-C1'-N19 110.862 2.662 . 0.02 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.605 " H4'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.438 0 C3'-C2'-C1' 104.449 3.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.514 0 P-O3'-C3' 123.327 3.023 . 0.457 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.549 0 P-O5'-C5' 125.375 2.797 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.224 1 O4'-C1'-N19 113.33 5.13 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.605 ' H22' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.554 3.347 1 P-O3'-C3' 125.94 5.2 . 0.0 OUTLIER '7D dist 3b' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.828 2 O4'-C1'-N19 114.122 5.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.575 1 O4'-C1'-N19 112.87 4.67 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . 0.401 ' H42' ' H1 ' ' B' ' 10' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.554 2.618 1 P-O3'-C3' 124.913 4.344 . 0.458 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.358 0 P-O3'-C3' 124.091 3.659 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.578 0 P-O3'-C3' 123.241 2.951 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.708 0 O4'-C1'-N19 110.737 2.537 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.743 0 O4'-C1'-N19 112.127 3.927 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.651 0 O4'-C1'-N19 111.084 2.884 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.913 1 O4'-C1'-N19 113.015 4.815 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.056 0 O4'-C1'-N19 111.823 3.623 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -85.55 96.47 9.65 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 127.059 2.144 . . . . 0.0 105.697 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.351 78.6 mt-30 80.53 -72.9 0.06 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 130.02 3.328 . . . . 0.0 109.887 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.02 135.47 7.41 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 128.008 2.523 . . . . 0.0 113.314 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.262 1.4 mpt_? 78.19 -50.43 0.49 Allowed 'General case' 0 C--N 1.367 1.359 0 C-N-CA 128.939 2.896 . . . . 0.0 112.747 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -73.23 -50.46 22.27 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 128.498 2.719 . . . . 0.0 115.386 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -56.19 128.8 37.37 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.425 2.29 . . . . 0.0 112.069 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' HD3' ' H ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -90.2 166.38 13.4 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 128.192 2.597 . . . . 0.0 112.599 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 33.6 ttp180 -63.1 152.54 36.9 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 128.594 2.758 . . . . 0.0 111.178 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -85.5 104.93 15.73 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -161.01 116.3 2.15 Favored 'General case' 0 C--N 1.367 1.363 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -74.67 113.67 12.21 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 124.371 1.068 . . . . 0.0 110.627 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.676 ' HG3' ' H ' ' A' ' 49' ' ' GLN . 2.2 ptp180 -89.96 126.34 35.7 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.99 83.34 6.73 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 102.434 -3.173 . . . . 0.0 102.434 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.386 7.2 tpt180 22.36 72.39 0.02 OUTLIER 'General case' 0 C--N 1.372 1.558 0 C-N-CA 130.748 3.619 . . . . 0.0 113.544 -173.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.676 ' H ' ' HG3' ' A' ' 46' ' ' ARG 0.278 23.9 mm100 70.4 85.92 0.13 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.406 3.082 . . . . 0.0 108.434 -179.07 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 . . . . . 0 C--O 1.26 1.652 0 C-N-CA 127.044 2.138 . . . . 0.0 106.828 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.576 0 O4'-C1'-N19 110.943 2.743 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.828 0 O4'-C1'-N19 111.357 3.157 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.857 0 O4'-C1'-N19 112.185 3.985 . 0.926 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.547 0 O4'-C1'-N19 110.881 2.681 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.927 1 O4'-C1'-N19 113.123 4.923 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.408 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.555 3.452 1 O4'-C1'-N19 113.697 5.497 . 0.729 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.43 " H3'" HH22 ' A' ' 41' ' ' ARG . . . . . . . . 0 C5'--C4' 1.557 3.584 1 O4'-C1'-N19 112.328 4.128 . 0.901 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.573 4.503 1 O4'-C1'-N19 112.385 4.185 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.034 0 P-O3'-C3' 123.568 3.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.409 1 P-O3'-C3' 127.446 6.455 . 0.03 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.728 1 O4'-C1'-N19 112.78 4.58 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.633 1 O4'-C1'-N19 112.335 4.135 . 0.315 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.834 0 P-O3'-C3' 123.091 2.826 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . 0.407 " H1'" ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.385 1 P-O3'-C3' 126.834 5.945 . 0.277 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.572 1 P-O3'-C3' 125.375 4.729 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.905 0 O4'-C1'-N19 111.951 3.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.407 ' C5 ' " H1'" ' B' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.623 0 P-O3'-C3' 123.881 3.485 . 0.798 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.809 2 O4'-C1'-N19 117.418 9.218 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.236 1 O4'-C1'-N19 112.202 4.002 . 0.684 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.18 2 C3'-C2'-C1' 105.567 4.519 OUTLIER-DELTA 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.376 0 P-O3'-C3' 124.153 3.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.877 0 O4'-C1'-N19 111.101 2.901 . 0.705 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.107 0 P-O3'-C3' 123.707 3.34 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.116 0 O4'-C1'-N19 111.748 3.548 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.713 0 P-O3'-C3' 123.094 2.829 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.902 1 O4'-C1'-N19 112.852 4.652 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.994 0 O4'-C1'-N19 111.935 3.735 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -109.76 98.55 7.86 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 63.8 mt-30 55.09 77.72 0.2 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 128.839 2.855 . . . . 0.0 110.637 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.1 -91.07 0.52 Allowed 'General case' 0 C--N 1.366 1.303 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.83 -67.83 0.96 Allowed 'General case' 0 C--N 1.37 1.464 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 176.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.367 2.1 mmp_? 70.92 -84.8 0.03 OUTLIER 'General case' 0 C--N 1.382 1.989 0 C-N-CA 128.751 2.82 . . . . 0.0 108.93 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -82.73 164.92 20.35 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 125.415 1.486 . . . . 0.0 109.983 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -71.18 -92.87 0.01 OUTLIER 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.903 1.681 . . . . 0.0 109.103 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -102.87 132.01 49.37 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 126.01 1.724 . . . . 0.0 106.921 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -86.01 95.74 9.61 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 105.461 -2.051 . . . . 0.0 105.461 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -149.18 150.18 32.22 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 127.489 2.316 . . . . 0.0 108.371 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -81.92 125.34 30.62 Favored 'General case' 0 C--N 1.368 1.397 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -99.06 118.76 36.54 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -79.54 86.92 5.15 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.433 31.9 tpt85 19.49 78.76 0.01 OUTLIER 'General case' 0 C--N 1.373 1.607 0 C-N-CA 130.201 3.4 . . . . 0.0 113.946 -171.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 78.86 108.89 0.07 Allowed 'General case' 0 C--N 1.373 1.611 0 C-N-CA 129.042 2.937 . . . . 0.0 109.672 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 C--O 1.26 1.656 0 C-N-CA 126.937 2.095 . . . . 0.0 106.088 178.828 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.2 0 O4'-C1'-N19 110.616 2.416 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.118 0 O4'-C1'-N19 110.665 2.465 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.879 0 O4'-C1'-N19 111.989 3.789 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.928 0 O4'-C1'-N19 110.801 2.601 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.789 1 O4'-C1'-N19 112.661 4.461 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.856 1 O4'-C1'-N19 114.279 6.079 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.484 1 O4'-C1'-N19 112.518 4.318 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.575 4.746 1 P-O3'-C3' 126.168 5.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.049 0 O4'-C1'-N19 111.284 3.084 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.35 1 P-O3'-C3' 132.272 10.477 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 0 O4'-C1'-N19 111.236 3.036 . 0.876 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.122 0 P-O3'-C3' 122.677 2.481 . 0.423 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.03 0 P-O5'-C5' 116.284 -2.885 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.396 0 P-O3'-C3' 124.422 3.935 . 0.386 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.572 0 P-O5'-C5' 126.111 3.257 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.492 0 C3'-C2'-C1' 104.548 3.387 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.845 0 P-O3'-C3' 123.784 3.403 . 0.676 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.638 3 O4'-C1'-N19 113.863 5.663 . 0.694 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.847 1 O4'-C1'-N19 113.634 5.434 OUTLIER-EPSILON 0.087 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.623 2 P-O3'-C3' 134.434 12.278 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.0 0 O4'-C1'-N19 110.805 2.605 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . 0.436 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.698 0 O4'-C1'-N19 111.084 2.884 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.436 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.784 0 P-O3'-C3' 122.89 2.658 . 0.894 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.428 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.448 2.86 0 O4'-C1'-N19 111.901 3.701 . 0.897 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.751 0 O4'-C1'-N19 110.987 2.787 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.063 1 O4'-C1'-N19 112.719 4.519 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.092 0 O4'-C1'-N19 111.829 3.629 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.5 2.027 0 CA-C-O 120.397 0.142 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 174.11 115.62 0.02 OUTLIER 'General case' 0 C--N 1.366 1.315 0 C-N-CA 129.193 2.997 . . . . 0.0 105.754 178.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -100.52 -57.79 2.04 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 125.92 1.688 . . . . 0.0 111.157 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.3 -110.61 0.31 Allowed 'General case' 0 C--N 1.375 1.675 0 C-N-CA 127.165 2.186 . . . . 0.0 107.905 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 155.21 40.82 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 128.569 2.748 . . . . 0.0 111.794 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.7 ttt-85 -76.63 -70.36 0.46 Allowed 'General case' 0 C--N 1.371 1.528 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -109.34 -79.35 0.58 Allowed 'General case' 0 C--N 1.374 1.666 0 C-N-CA 125.782 1.633 . . . . 0.0 106.7 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -149.57 120.21 7.51 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-N 119.873 1.215 . . . . 0.0 109.67 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -159.68 90.98 0.96 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 102.703 -3.073 . . . . 0.0 102.703 176.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -114.99 -112.86 0.34 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 mtt85 -42.08 147.21 0.24 Allowed 'General case' 0 C--N 1.355 0.813 0 C-N-CA 131.385 3.874 . . . . 0.0 112.388 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -75.65 127.96 34.18 Favored 'General case' 0 C--N 1.373 1.626 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 ttt85 -95.42 100.82 12.53 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.04 85.04 5.67 Favored 'General case' 0 C--N 1.377 1.801 0 N-CA-C 102.93 -2.989 . . . . 0.0 102.93 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.379 5.5 tpt180 4.89 72.5 0.0 OUTLIER 'General case' 0 C--N 1.368 1.388 0 C-N-CA 131.477 3.911 . . . . 0.0 114.893 -173.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -124.78 86.43 2.56 Favored 'General case' 0 C--N 1.37 1.482 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 C--O 1.262 1.711 0 C-N-CA 126.222 1.809 . . . . 0.0 108.063 179.657 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.36 0 O4'-C1'-N19 110.449 2.249 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.71 0 OP1-P-OP2 116.238 -2.241 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.701 0 O4'-C1'-N19 112.134 3.934 . 0.925 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.127 0 O4'-C1'-N19 111.218 3.018 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.947 1 O4'-C1'-N19 113.514 5.314 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.753 1 O4'-C1'-N19 113.366 5.166 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.009 1 O4'-C1'-N19 112.876 4.676 . 0.803 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.564 3.637 0 C1'-O4'-C4' 106.85 -3.056 OUTLIER-DELTA 0.232 5j . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.332 1 P-O3'-C3' 131.281 9.651 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.553 2.486 0 O4'-C1'-N19 111.5 3.3 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 P-O3'-C3' 123.216 2.93 . 0.673 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.684 0 O4'-C1'-N19 111.006 2.806 . 0.102 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.486 0 O4'-C1'-N19 105.309 -2.891 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.651 1 P-O3'-C3' 125.928 5.19 . 0.083 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.484 1 P-O3'-C3' 125.341 4.7 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.201 0 C3'-C2'-C1' 104.953 3.836 . 0.328 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.365 0 P-O5'-C5' 124.351 2.157 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 1 O4'-C1'-N19 113.969 5.769 . 0.402 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.713 2 O4'-C1'-N19 113.421 5.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.068 1 C3'-C2'-C1' 105.86 4.844 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.761 0 P-O3'-C3' 122.943 2.703 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.292 0 P-O3'-C3' 123.525 3.187 . 0.699 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 0 P-O3'-C3' 122.56 2.384 . 0.895 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 O4'-C1'-N19 112.403 4.203 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.709 0 O4'-C1'-N19 111.641 3.441 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.99 1 O4'-C1'-N19 112.901 4.701 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.908 0 O4'-C1'-N19 111.907 3.707 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.343 98.7 mtt180 -51.08 -42.01 60.32 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -178.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -107.33 105.79 15.9 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 127.694 2.398 . . . . 0.0 106.893 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.61 73.82 0.65 Allowed 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.418 1.887 . . . . 0.0 106.201 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.425 HH21 ' HA ' ' A' ' 41' ' ' ARG 0.305 8.8 ttp180 51.88 93.98 0.02 OUTLIER 'General case' 0 C--N 1.375 1.688 0 C-N-CA 130.607 3.563 . . . . 0.0 110.818 -176.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -63.13 1.42 Allowed 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.433 1.893 . . . . 0.0 113.074 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -72.7 119.93 17.61 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 124.801 1.24 . . . . 0.0 107.956 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HA ' HH21 ' A' ' 38' ' ' ARG . 66.0 mtp180 -102.66 -115.48 0.2 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.539 1.535 . . . . 0.0 110.268 -176.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -103.87 156.86 17.5 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 128.119 2.568 . . . . 0.0 110.691 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -95.67 97.22 9.56 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 102.901 -3.0 . . . . 0.0 102.901 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -119.24 134.3 55.28 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.485 1.914 . . . . 0.0 108.062 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -79.85 127.56 32.39 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 124.831 1.252 . . . . 0.0 108.352 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -87.21 112.95 22.51 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -89.8 65.18 6.68 Favored 'General case' 0 C--N 1.368 1.402 0 N-CA-C 103.048 -2.945 . . . . 0.0 103.048 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.404 7.0 tpt180 16.31 70.72 0.01 OUTLIER 'General case' 0 C--N 1.371 1.515 0 C-N-CA 131.516 3.926 . . . . 0.0 114.572 -173.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -166.61 112.37 0.81 Allowed 'General case' 0 C--N 1.369 1.449 0 C-N-CA 128.896 2.879 . . . . 0.0 104.758 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 . . . . . 0 C--O 1.262 1.754 0 C-N-CA 131.461 3.904 . . . . 0.0 115.095 -179.18 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.245 0 O4'-C1'-N19 110.53 2.33 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 0 O4'-C1'-N19 111.274 3.074 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.793 1 O4'-C1'-N19 112.925 4.725 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.806 0 O4'-C1'-N19 111.658 3.458 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 1 O4'-C1'-N19 113.144 4.944 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.048 1 O4'-C1'-N19 113.721 5.521 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.194 1 O4'-C1'-N19 112.702 4.502 . 0.687 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.56 3.238 0 C4'-C3'-C2' 106.088 3.388 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.202 0 C1'-O4'-C4' 107.024 -2.863 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 O4'-C1'-N19 110.835 2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.45 0 P-O3'-C3' 123.983 3.569 . 0.58 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.758 0 N19-C1'-C2' 118.688 3.305 . 0.658 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.807 1 P-O3'-C3' 124.87 4.308 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.764 1 P-O3'-C3' 125.139 4.532 . 0.786 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 O4'-C1'-N19 111.55 3.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.837 0 C3'-C2'-C1' 104.841 3.712 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.545 1.948 0 O4'-C1'-C2' 102.324 -2.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.157 1 O4'-C1'-N19 114.661 6.461 . 0.101 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.069 1 O4'-C1'-N19 112.637 4.437 . 0.652 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.288 2 P-O3'-C3' 125.481 4.818 . 0.472 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.833 0 O4'-C1'-N19 110.503 2.303 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . 0.47 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.76 0 P-O3'-C3' 122.727 2.523 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.476 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.965 0 P-O3'-C3' 123.743 3.369 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.476 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.549 2.996 0 O4'-C1'-N19 112.092 3.892 . 0.875 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.738 0 O4'-C1'-N19 111.166 2.966 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 1 O4'-C1'-N19 112.669 4.469 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.958 0 O4'-C1'-N19 111.819 3.619 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.8 m . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.253 1.8 tmm_? 74.32 102.88 0.07 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 129.241 3.017 . . . . 0.0 109.852 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.251 0.9 OUTLIER 37.7 88.92 0.01 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 130.78 3.632 . . . . 0.0 115.033 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.98 -74.87 0.59 Allowed 'General case' 0 C--N 1.365 1.242 0 N-CA-C 104.593 -2.373 . . . . 0.0 104.593 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -85.9 -66.39 0.91 Allowed 'General case' 0 C--N 1.373 1.615 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.285 2.6 tpp180 72.97 120.72 0.04 OUTLIER 'General case' 0 C--N 1.376 1.724 0 C-N-CA 129.84 3.256 . . . . 0.0 110.083 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 69.9 92.45 0.08 Allowed 'General case' 0 C--N 1.382 1.98 0 C-N-CA 127.725 2.41 . . . . 0.0 107.051 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.8 mtp-105 -85.55 -145.48 0.1 Allowed 'General case' 0 C--N 1.366 1.287 0 C-N-CA 126.407 1.883 . . . . 0.0 111.248 -177.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.35 147.0 53.52 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 129.152 2.981 . . . . 0.0 111.862 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -97.58 100.81 12.23 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 102.095 -3.298 . . . . 0.0 102.095 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -136.79 115.31 11.92 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.323 2.249 . . . . 0.0 104.984 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -80.83 111.32 17.18 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -80.82 118.67 22.54 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.66 80.46 9.0 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 100.988 -3.708 . . . . 0.0 100.988 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.361 5.6 tpt180 22.95 67.83 0.03 OUTLIER 'General case' 0 C--N 1.371 1.525 0 C-N-CA 130.166 3.386 . . . . 0.0 113.462 -172.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -157.4 100.23 1.8 Allowed 'General case' 0 C--N 1.37 1.465 0 C-N-CA 127.405 2.282 . . . . 0.0 105.454 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? . . . . . 0 C--O 1.261 1.688 0 C-N-CA 127.606 2.362 . . . . 0.0 110.801 -177.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.244 0 O4'-C1'-N19 111.039 2.839 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.578 0 O4'-C1'-N19 111.08 2.88 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.816 1 O4'-C1'-N19 112.86 4.66 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.774 0 O4'-C1'-N19 111.027 2.827 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.766 0 O4'-C1'-N19 112.194 3.994 . 0.946 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.467 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.793 1 O4'-C1'-N19 114.028 5.828 . 0.838 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.467 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.554 3.389 1 O4'-C1'-N19 113.892 5.692 . 0.942 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.57 4.217 0 O4'-C1'-N19 111.827 3.627 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.405 1 P-O3'-C3' 125.208 4.59 OUTLIER-EPSILON 0.013 1e . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.13 2 P-O3'-C3' 134.605 12.421 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.562 3.451 2 O4'-C1'-N19 116.686 8.486 . 0.567 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.864 1 P-O3'-C3' 126.962 6.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.255 1 P-O3'-C3' 124.889 4.324 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.302 1 P-O3'-C3' 135.954 13.545 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.478 0 P-O3'-C3' 123.951 3.542 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 2 O4'-C1'-N19 112.414 4.214 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.751 1 P-O3'-C3' 124.643 4.119 . 0.863 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.615 1 O4'-C1'-N19 112.613 4.413 . 0.438 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.842 1 O4'-C1'-N19 113.043 4.843 . 0.543 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 2.698 2 P-O3'-C3' 124.904 4.337 OUTLIER-DELTA 0.075 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.599 0 P-O3'-C3' 123.565 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.398 0 P-O3'-C3' 123.499 3.166 . 0.537 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.771 0 P-O3'-C3' 123.315 3.012 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.98 1 O4'-C1'-N19 112.796 4.596 . 0.92 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.66 0 O4'-C1'-N19 110.984 2.784 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.877 1 O4'-C1'-N19 112.569 4.369 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 0 O4'-C1'-N19 111.923 3.723 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.542 0.687 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.298 7.6 ptm85 -88.41 -145.42 0.14 Allowed 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 129.54 3.136 . . . . 0.0 106.747 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -83.58 86.3 7.13 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 127.408 2.283 . . . . 0.0 107.629 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.68 -75.4 0.63 Allowed 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.369 2.268 . . . . 0.0 107.069 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -88.65 123.21 32.89 Favored 'General case' 0 C--N 1.373 1.624 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.26 1.6 tpp180 -70.78 -74.56 0.14 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.752 1.621 . . . . 0.0 110.408 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -87.35 91.83 8.86 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 125.28 1.432 . . . . 0.0 109.264 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -85.66 -65.38 1.02 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.881 1.272 . . . . 0.0 107.843 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.5 HH12 " H3'" ' B' ' 10' ' ' ' G' . 0.4 OUTLIER -81.82 122.92 28.32 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 125.619 1.568 . . . . 0.0 111.924 -179.249 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -114.18 82.12 1.65 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 100.489 -3.893 . . . . 0.0 100.489 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -143.15 143.8 31.95 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.528 1.931 . . . . 0.0 110.324 -175.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -82.18 121.91 27.22 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 174.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -86.52 108.7 18.67 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -84.64 74.45 10.42 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.975 -2.231 . . . . 0.0 104.975 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 28.11 57.48 0.1 Allowed 'General case' 0 C--N 1.373 1.597 0 C-N-CA 130.256 3.422 . . . . 0.0 112.538 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 129.29 119.91 0.0 OUTLIER 'General case' 0 C--N 1.375 1.713 1 C-N-CA 132.718 4.407 . . . . 0.0 104.943 -177.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 . . . . . 0 C--O 1.261 1.685 0 C-N-CA 128.069 2.548 . . . . 0.0 110.601 179.749 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.359 0 O4'-C1'-N19 110.974 2.774 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.798 0 O4'-C1'-N19 112.107 3.907 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.88 1 O4'-C1'-N19 113.06 4.86 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.836 0 O4'-C1'-N19 111.756 3.556 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.977 1 O4'-C1'-N19 113.066 4.866 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.784 1 O4'-C1'-N19 113.812 5.612 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.504 " H3'" " C5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.502 1 O4'-C1'-N19 113.076 4.876 . 0.707 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.504 " C5'" " H3'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.566 3.797 0 O5'-C5'-C4' 114.233 2.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.754 1 P-O3'-C3' 125.819 5.1 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . 0.5 " H3'" HH12 ' A' ' 42' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 2.497 1 O4'-C1'-N19 112.519 4.319 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . 0.479 ' H62' ' HB2' ' A' ' 42' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.308 1 O4'-C1'-N19 112.431 4.231 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.491 0 O4'-C1'-N19 111.162 2.962 . 0.422 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.447 " H4'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.368 0 C4'-C3'-C2' 105.058 2.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 0 C3'-C2'-C1' 104.315 3.128 . 0.031 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 2.952 0 P-O3'-C3' 124.478 3.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.157 0 O4'-C1'-N19 111.266 3.066 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.447 ' H22' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.33 1 P-O3'-C3' 125.3 4.667 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.481 1 O4'-C1'-N19 114.22 6.02 . 0.571 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.559 3.116 2 O4'-C1'-N19 112.792 4.592 OUTLIER-DELTA 0.341 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.596 0 O4'-C1'-N19 111.845 3.645 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . 0.455 " H2'" ' H8 ' ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.588 1 P-O3'-C3' 125.297 4.664 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . 0.455 ' H8 ' " H2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.871 0 O5'-C5'-C4' 113.756 2.54 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.932 0 O4'-C1'-N19 111.081 2.881 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.95 1 O4'-C1'-N19 112.419 4.219 . 0.916 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.563 0 O4'-C1'-N19 111.564 3.364 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.827 1 O4'-C1'-N19 112.69 4.49 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.86 0 O4'-C1'-N19 111.874 3.674 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 123.07 1.414 . . . . 0.0 113.782 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -79.93 -49.69 11.52 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 129.239 3.016 . . . . 0.0 112.905 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.76 145.91 17.52 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 130.673 3.589 . . . . 0.0 108.647 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.26 -73.25 0.64 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.363 1.865 . . . . 0.0 107.667 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -85.66 130.83 34.47 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.026 1.731 . . . . 0.0 108.324 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HD2' ' H ' ' A' ' 40' ' ' ASN 0.329 0.1 OUTLIER -82.81 -92.22 0.07 Allowed 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.746 1.619 . . . . 0.0 109.216 -179.946 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.578 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 32.9 m120 -69.44 121.34 16.78 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.079 2.152 . . . . 0.0 109.97 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -131.71 -84.19 0.5 Allowed 'General case' 0 C--N 1.362 1.146 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -91.4 114.26 26.74 Favored 'General case' 0 C--N 1.375 1.697 0 C-N-CA 126.044 1.738 . . . . 0.0 109.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -119.5 91.57 3.58 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 103.338 -2.838 . . . . 0.0 103.338 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -144.93 152.16 39.79 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.959 2.104 . . . . 0.0 110.62 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -67.72 124.87 24.48 Favored 'General case' 0 C--N 1.379 1.866 0 C-N-CA 124.56 1.144 . . . . 0.0 108.61 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -99.76 121.13 40.8 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 102.945 -2.983 . . . . 0.0 102.945 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -82.28 75.94 9.18 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 46.11 33.13 1.61 Allowed 'General case' 0 C--N 1.368 1.387 0 C-N-CA 128.858 2.863 . . . . 0.0 114.841 -177.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.351 1.4 pm0 143.88 127.88 0.0 OUTLIER 'General case' 0 C--N 1.373 1.589 1 C-N-CA 133.142 4.577 . . . . 0.0 105.8 179.539 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 . . . . . 0 C--O 1.26 1.618 0 CA-C-O 117.188 -1.386 . . . . 0.0 108.494 179.498 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 0 O4'-C1'-N19 111.421 3.221 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.45 " H2'" ' C6 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.549 2.984 0 P-O3'-C3' 123.838 3.449 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.45 ' C6 ' " H2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.85 2 O4'-C1'-N19 113.116 4.916 . 0.856 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.729 0 O4'-C1'-N19 110.573 2.373 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.022 0 O4'-C1'-N19 111.831 3.631 . 0.9 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.414 ' C5 ' ' C5 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.545 2.686 1 O4'-C1'-N19 113.43 5.23 . 0.852 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.414 ' C5 ' ' C5 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.742 1 O4'-C1'-N19 112.466 4.266 . 0.848 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.562 3.353 0 C4'-C3'-C2' 105.816 3.116 OUTLIER-DELTA 0.127 5j . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.298 1 P-O3'-C3' 124.535 4.029 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 0 O4'-C1'-N19 111.188 2.988 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.743 1 P-O3'-C3' 124.996 4.413 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.352 0 P-O3'-C3' 123.284 2.986 . 0.415 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.453 " H4'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.427 0 C3'-C2'-C1' 104.72 3.578 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.732 1 P-O3'-C3' 124.697 4.164 . 0.491 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.367 1 P-O3'-C3' 125.699 4.999 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.177 1 C3'-C2'-C1' 105.384 4.315 . 0.474 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.453 ' H22' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.548 2.92 0 P-O3'-C3' 124.37 3.891 . 0.206 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.55 2 O4'-C1'-N19 117.074 8.874 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.568 3.929 1 N19-C1'-C2' 120.432 4.395 . 0.064 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.555 2.695 2 O4'-C1'-N19 112.547 4.347 OUTLIER-DELTA 0.736 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.78 0 O4'-C1'-N19 112.136 3.936 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.158 0 P-O3'-C3' 124.365 3.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.002 0 O4'-C1'-N19 111.093 2.893 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.268 0 O4'-C1'-N19 111.861 3.661 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.721 0 O4'-C1'-N19 111.212 3.012 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . 0.461 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.032 1 O4'-C1'-N19 112.535 4.335 . 0.894 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.461 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.093 0 O4'-C1'-N19 111.839 3.639 . 0.904 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.3 p . . . . . 0 N--CA 1.501 2.079 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -78.82 125.13 28.96 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.851 2.861 . . . . 0.0 107.135 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.293 29.1 mt-30 74.58 -64.05 0.4 Allowed 'General case' 0 C--N 1.346 0.449 1 C-N-CA 131.822 4.049 . . . . 0.0 109.656 -178.564 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . 0.263 . . 68.17 -99.12 0.04 OUTLIER 'General case' 0 C--N 1.375 1.703 0 C-N-CA 128.334 2.654 . . . . 0.0 108.065 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' HB2' ' H41' ' B' ' 6' ' ' ' C' . 17.5 tpt85 -132.49 106.49 7.88 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 103.719 -2.696 . . . . 0.0 103.719 177.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HD3' ' H ' ' A' ' 39' ' ' ARG 0.261 0.0 OUTLIER -71.98 -52.48 16.9 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.123 1.769 . . . . 0.0 111.988 -178.751 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -77.74 106.29 9.47 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 125.701 1.6 . . . . 0.0 107.318 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -97.04 161.37 13.86 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 126.449 1.9 . . . . 0.0 110.679 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' H ' ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -61.92 159.45 14.05 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 127.653 2.381 . . . . 0.0 113.727 -178.208 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -92.71 125.43 37.32 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.46 HH11 ' HB3' ' A' ' 44' ' ' ARG . 8.3 ttp-105 -166.98 141.05 3.82 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.998 2.119 . . . . 0.0 108.403 -177.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -80.23 121.67 25.91 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -93.1 106.7 18.62 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 101.845 -3.391 . . . . 0.0 101.845 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.17 80.29 9.11 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 103.005 -2.961 . . . . 0.0 103.005 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 13.3 tpt180 13.71 71.37 0.01 OUTLIER 'General case' 0 C--N 1.374 1.64 0 C-N-CA 131.19 3.796 . . . . 0.0 112.708 -174.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -87.2 56.72 4.11 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 126.502 1.921 . . . . 0.0 112.387 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 . . . . . 0 C--O 1.262 1.754 0 C-N-CA 126.185 1.794 . . . . 0.0 107.668 178.793 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.059 0 O4'-C1'-N19 110.717 2.517 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.651 0 O4'-C1'-N19 111.75 3.55 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.061 1 O4'-C1'-N19 113.385 5.185 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.551 3.133 0 P-O3'-C3' 123.654 3.295 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.147 1 O4'-C1'-N19 112.673 4.473 . 0.707 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.41 ' H41' ' HB2' ' A' ' 38' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.325 1 O4'-C1'-N19 112.519 4.319 . 0.863 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.842 1 O4'-C1'-N19 112.805 4.605 . 0.634 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.58 5.184 0 P-O3'-C3' 124.343 3.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.784 0 P-O3'-C3' 123.986 3.572 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.86 0 P-O3'-C3' 123.842 3.451 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.666 0 O4'-C1'-N19 111.668 3.468 . 0.407 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . 0.619 " H1'" ' H61' ' B' ' 18' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.562 3.973 0 O4'-C1'-N19 111.3 3.1 . 0.183 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.442 ' C5 ' " H2'" ' B' ' 12' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.807 1 P-O3'-C3' 124.543 4.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.727 1 P-O3'-C3' 124.713 4.177 . 0.776 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.757 1 P-O3'-C3' 124.816 4.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.116 1 O4'-C1'-N19 112.414 4.214 . 0.088 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.953 0 N19-C1'-C2' 117.483 2.552 . 0.109 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . 0.619 ' H61' " H1'" ' B' ' 12' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.712 1 O4'-C1'-N19 112.383 4.183 . 0.313 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.995 1 O4'-C1'-N19 112.787 4.587 . 0.485 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.308 1 O4'-C1'-N19 113.159 4.959 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.943 0 O4'-C1'-N19 111.067 2.867 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.018 0 O5'-C5'-C4' 114.548 3.106 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.103 0 P-O3'-C3' 122.88 2.65 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.292 0 O4'-C1'-N19 112.163 3.963 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.94 0 O4'-C1'-N19 111.246 3.046 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.055 1 O4'-C1'-N19 112.848 4.648 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 0 O4'-C1'-N19 112.055 3.855 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 121.158 0.504 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.264 43.2 ttm-85 -74.93 -53.11 9.58 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 124.859 1.264 . . . . 0.0 111.844 179.156 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -158.52 114.14 2.65 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 129.872 3.269 . . . . 0.0 106.276 176.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.1 -74.86 0.6 Allowed 'General case' 0 C--N 1.369 1.446 0 C-N-CA 126.117 1.767 . . . . 0.0 107.436 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -109.73 117.28 33.48 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.986 2.114 . . . . 0.0 106.248 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -79.28 0.14 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 126.36 1.864 . . . . 0.0 110.526 -177.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -78.36 117.64 19.78 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 125.123 1.369 . . . . 0.0 108.186 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -140.95 -58.46 0.5 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 125.389 1.475 . . . . 0.0 109.957 -178.231 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -62.04 130.17 44.28 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.308 1.843 . . . . 0.0 113.534 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -133.78 82.84 2.0 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 102.823 -3.028 . . . . 0.0 102.823 177.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -160.09 150.01 18.2 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 126.669 1.988 . . . . 0.0 109.587 -178.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -74.45 134.17 42.35 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 125.219 1.408 . . . . 0.0 109.423 178.33 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -93.55 105.1 17.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 128.61 2.764 . . . . 0.0 103.634 177.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.81 84.89 6.74 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 178.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.265 17.6 tpt180 19.53 72.6 0.02 OUTLIER 'General case' 0 C--N 1.368 1.402 1 C-N-CA 131.73 4.012 . . . . 0.0 114.417 -176.439 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.334 35.2 tt0 97.59 123.86 0.01 OUTLIER 'General case' 0 C--N 1.375 1.712 0 C-N-CA 129.198 2.999 . . . . 0.0 110.899 179.059 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 . . . . . 0 C--O 1.26 1.652 0 C-N-CA 129.077 2.951 . . . . 0.0 110.992 179.347 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 O4'-C1'-N19 110.532 2.332 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.692 0 P-O3'-C3' 123.238 2.948 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.862 1 O4'-C1'-N19 112.298 4.098 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.763 0 O4'-C1'-N19 110.991 2.791 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.114 1 O4'-C1'-N19 112.59 4.39 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.503 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.547 2.827 1 O4'-C1'-N19 113.602 5.402 . 0.712 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.503 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.311 0 O4'-C1'-N19 111.862 3.662 . 0.398 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 1 P-O3'-C3' 124.667 4.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.218 1 P-O3'-C3' 129.527 8.189 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.552 2.404 1 P-O3'-C3' 125.348 4.707 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.5 0 O4'-C1'-N19 111.259 3.059 . 0.327 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.721 0 O4'-C1'-N19 111.488 3.288 . 0.274 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.447 " H4'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.395 0 C3'-C2'-C1' 103.56 2.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.671 0 C3'-C2'-C1' 104.159 2.955 . 0.095 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 2.671 1 P-O3'-C3' 125.918 5.182 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.81 1 C3'-C2'-C1' 105.213 4.126 . 0.243 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.447 ' H22' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.27 1 P-O3'-C3' 125.087 4.489 . 0.303 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.299 1 O4'-C1'-N19 115.132 6.932 . 0.621 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.901 1 O4'-C1'-N19 112.72 4.52 . 0.657 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.791 1 P-O3'-C3' 124.572 4.06 . 0.397 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.865 0 O4'-C1'-N19 110.887 2.687 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.349 0 P-O3'-C3' 124.02 3.6 . 0.541 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.991 0 P-O3'-C3' 122.848 2.623 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.171 0 P-O3'-C3' 124.324 3.854 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.821 0 P-O3'-C3' 122.554 2.379 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . 0.444 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.004 0 O4'-C1'-N19 111.908 3.708 . 0.922 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.444 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.904 0 O4'-C1'-N19 111.762 3.562 . 0.903 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? 49.13 87.52 0.02 OUTLIER 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.582 3.153 . . . . 0.0 112.256 179.481 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -94.27 100.45 12.5 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.335 1.454 . . . . 0.0 109.077 -178.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.41 74.45 1.32 Allowed 'General case' 0 C--N 1.367 1.365 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 177.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 66.01 128.42 0.02 OUTLIER 'General case' 0 C--N 1.369 1.435 0 C-N-CA 129.228 3.011 . . . . 0.0 111.812 -177.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' H ' ' HD2' ' A' ' 39' ' ' ARG 0.278 0.0 OUTLIER -94.48 -75.43 0.51 Allowed 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.441 1.896 . . . . 0.0 109.685 -178.897 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -49.03 -61.91 1.81 Allowed 'General case' 0 C--N 1.374 1.662 0 C-N-CA 128.388 2.675 . . . . 0.0 115.794 -177.425 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.448 ' HE ' ' H ' ' A' ' 42' ' ' ARG . 4.3 mmm-85 76.65 160.9 0.22 Allowed 'General case' 0 C--N 1.374 1.647 0 C-N-CA 127.767 2.427 . . . . 0.0 114.278 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' H ' ' HE ' ' A' ' 41' ' ' ARG . 26.0 ttp-105 -65.3 154.36 38.45 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 130.118 3.367 . . . . 0.0 111.57 179.579 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -96.4 130.23 43.58 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -167.95 124.54 1.09 Allowed 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.864 2.466 . . . . 0.0 105.639 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -67.72 121.85 16.83 Favored 'General case' 0 C--N 1.381 1.976 0 CA-C-O 122.21 1.005 . . . . 0.0 109.079 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -91.9 113.66 25.98 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 178.189 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -84.35 77.49 9.98 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 102.772 -3.048 . . . . 0.0 102.772 177.567 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.357 4.8 tpm_? 15.02 72.38 0.01 OUTLIER 'General case' 0 C--N 1.375 1.71 1 C-N-CA 131.87 4.068 . . . . 0.0 112.733 -173.977 . . . . . . . . 3 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -94.1 70.38 3.88 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 127.952 2.501 . . . . 0.0 107.986 -177.676 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.537 HH21 ' H3 ' ' B' ' 13' ' ' ' U' 0.256 11.5 ptp85 . . . . . 0 C--O 1.261 1.69 0 C-N-CA 125.901 1.68 . . . . 0.0 109.716 179.169 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.284 0 O4'-C1'-N19 110.663 2.463 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.858 0 O4'-C1'-N19 111.734 3.534 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.655 ' H3 ' ' H61' ' B' ' 25' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.72 1 O4'-C1'-N19 113.577 5.377 . 0.815 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.144 0 O4'-C1'-N19 111.735 3.535 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.158 1 O4'-C1'-N19 113.115 4.915 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ' C' . . . . . 0.517 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.803 1 O4'-C1'-N19 114.168 5.968 . 0.753 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . 0.517 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.566 4.327 1 O4'-C1'-N19 113.578 5.378 . 0.434 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.569 4.12 1 P-O3'-C3' 125.924 5.187 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.585 1 P-O3'-C3' 127.496 6.496 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.978 1 C3'-C2'-C1' 106.709 5.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.016 1 O4'-C1'-N19 112.409 4.209 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.404 0 O4'-C1'-N19 111.353 3.153 . 0.638 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.537 ' H3 ' HH21 ' A' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.551 3.116 1 P-O3'-C3' 124.881 4.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.844 1 P-O3'-C3' 125.41 4.758 . 0.016 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 2.522 1 P-O3'-C3' 125.821 5.101 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.772 1 O4'-C1'-N19 112.564 4.364 . 0.061 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.559 1 P-O3'-C3' 125.021 4.434 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.896 1 O4'-C1'-N19 112.951 4.751 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.944 0 O4'-C1'-N19 111.982 3.782 . 0.84 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.915 1 O4'-C1'-N19 112.281 4.081 . 0.332 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.985 0 P-O3'-C3' 122.342 2.202 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 O4'-C1'-N19 111.108 2.908 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.939 0 O4'-C1'-N19 110.788 2.588 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 0 O4'-C1'-N19 112.121 3.921 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ' A' . . . . . 0.655 ' H61' ' H3 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.634 0 O4'-C1'-N19 111.839 3.639 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' ' C' . . . . . 0.412 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.097 1 O4'-C1'-N19 112.709 4.509 . 0.897 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.412 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.987 0 O4'-C1'-N19 112.035 3.835 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.945 0.879 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -91.93 104.68 17.07 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -85.52 79.87 9.26 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 103.073 -2.936 . . . . 0.0 103.073 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 . . . . . 0 C--N 1.38 1.929 0 C-N-CA 131.115 3.766 . . . . 0.0 112.228 -176.199 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 . . . . . 0 C--O 1.237 0.415 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -87.28 105.69 17.41 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 102.057 -3.312 . . . . 0.0 102.057 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.77 85.69 5.42 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.368 3.3 tpp85 . . . . . 0 C--N 1.37 1.464 0 C-N-CA 130.518 3.527 . . . . 0.0 113.828 -173.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -100.37 116.09 31.51 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 102.286 -3.228 . . . . 0.0 102.286 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.27 81.51 8.13 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.324 18.8 tpt180 . . . . . 0 C--N 1.375 1.701 0 C-N-CA 130.76 3.624 . . . . 0.0 112.947 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 122.172 0.987 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttm105 -93.51 110.2 21.78 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -85.48 83.0 8.06 Favored 'General case' 0 C--N 1.372 1.549 0 N-CA-C 101.443 -3.54 . . . . 0.0 101.443 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.362 10.4 tpt180 . . . . . 0 C--N 1.367 1.338 0 C-N-CA 131.256 3.823 . . . . 0.0 114.72 -173.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 . . . . . 0 C--O 1.237 0.412 0 CA-C-O 122.843 1.306 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -100.36 104.5 15.94 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.87 77.87 10.01 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 102.036 -3.32 . . . . 0.0 102.036 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.333 22.1 mmm180 . . . . . 0 C--N 1.375 1.685 1 C-N-CA 131.974 4.11 . . . . 0.0 114.956 -174.097 . . . . . . . . 2 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 . . . . . 0 C--O 1.235 0.302 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -101.76 115.91 31.57 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 102.964 -2.976 . . . . 0.0 102.964 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.72 83.95 5.61 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 101.957 -3.349 . . . . 0.0 101.957 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.334 15.9 tpt180 . . . . . 0 C--N 1.377 1.774 0 C-N-CA 131.274 3.83 . . . . 0.0 114.209 -173.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 . . . . . 0 C--O 1.238 0.471 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -88.88 122.2 32.02 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 102.737 -3.06 . . . . 0.0 102.737 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.23 74.8 10.38 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 102.403 -3.184 . . . . 0.0 102.403 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 . . . . . 0 C--N 1.375 1.715 0 C-N-CA 129.836 3.254 . . . . 0.0 111.298 -173.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 . . . . . 0 C--O 1.236 0.367 0 CA-C-O 121.959 0.885 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.61 117.34 29.87 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 104.096 -2.557 . . . . 0.0 104.096 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -85.27 80.99 8.98 Favored 'General case' 0 C--N 1.373 1.605 0 N-CA-C 103.252 -2.869 . . . . 0.0 103.252 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 2.7 tpt180 . . . . . 0 C--N 1.372 1.561 0 C-N-CA 130.11 3.364 . . . . 0.0 111.589 -175.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.739 0.781 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -83.63 111.79 19.44 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.266 -2.494 . . . . 0.0 104.266 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -82.47 82.11 8.03 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.251 20.3 tpt180 . . . . . 0 C--N 1.374 1.642 0 C-N-CA 130.828 3.651 . . . . 0.0 113.162 -175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -88.37 107.0 18.61 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 102.618 -3.104 . . . . 0.0 102.618 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.79 79.78 9.49 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.261 18.0 mmm180 . . . . . 0 C--N 1.377 1.798 0 C-N-CA 130.644 3.577 . . . . 0.0 112.547 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -90.07 101.92 14.63 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 101.875 -3.38 . . . . 0.0 101.875 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -83.54 78.46 9.66 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 . . . . . 0 C--N 1.373 1.619 0 C-N-CA 131.546 3.938 . . . . 0.0 113.127 -175.871 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 121.62 0.724 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.544 HH21 ' HD2' ' A' ' 48' ' ' ARG . 16.7 ttp-105 -89.57 108.87 19.92 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -83.57 89.9 7.17 Favored 'General case' 0 C--N 1.368 1.413 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.544 ' HD2' HH21 ' A' ' 46' ' ' ARG 0.265 7.4 tpt180 . . . . . 0 C--N 1.365 1.267 0 C-N-CA 131.436 3.895 . . . . 0.0 116.528 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 122.023 0.916 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -89.96 126.34 35.7 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.99 83.34 6.73 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 102.434 -3.173 . . . . 0.0 102.434 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.386 7.2 tpt180 . . . . . 0 C--N 1.372 1.558 0 C-N-CA 130.748 3.619 . . . . 0.0 113.544 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 . . . . . 0 C--O 1.236 0.377 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -99.06 118.76 36.54 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -79.54 86.92 5.15 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.433 31.9 tpt85 . . . . . 0 C--N 1.373 1.607 0 C-N-CA 130.201 3.4 . . . . 0.0 113.946 -171.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 . . . . . 0 C--O 1.235 0.312 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 ttt85 -95.42 100.82 12.53 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.04 85.04 5.67 Favored 'General case' 0 C--N 1.377 1.801 0 N-CA-C 102.93 -2.989 . . . . 0.0 102.93 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.379 5.5 tpt180 . . . . . 0 C--N 1.368 1.388 0 C-N-CA 131.477 3.911 . . . . 0.0 114.893 -173.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -87.21 112.95 22.51 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -89.8 65.18 6.68 Favored 'General case' 0 C--N 1.368 1.402 0 N-CA-C 103.048 -2.945 . . . . 0.0 103.048 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.404 7.0 tpt180 . . . . . 0 C--N 1.371 1.515 0 C-N-CA 131.516 3.926 . . . . 0.0 114.572 -173.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 . . . . . 0 C--O 1.237 0.446 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -80.82 118.67 22.54 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.66 80.46 9.0 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 100.988 -3.708 . . . . 0.0 100.988 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.361 5.6 tpt180 . . . . . 0 C--N 1.371 1.525 0 C-N-CA 130.166 3.386 . . . . 0.0 113.462 -172.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 . . . . . 0 C--O 1.239 0.528 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -86.52 108.7 18.67 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -84.64 74.45 10.42 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.975 -2.231 . . . . 0.0 104.975 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 . . . . . 0 C--N 1.373 1.597 0 C-N-CA 130.256 3.422 . . . . 0.0 112.538 -176.211 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 . . . . . 0 C--O 1.236 0.394 0 CA-C-O 122.442 1.115 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -99.76 121.13 40.8 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 102.945 -2.983 . . . . 0.0 102.945 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -82.28 75.94 9.18 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.368 1.387 0 C-N-CA 128.858 2.863 . . . . 0.0 114.841 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 . . . . . 0 C--O 1.238 0.452 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -93.1 106.7 18.62 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 101.845 -3.391 . . . . 0.0 101.845 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.17 80.29 9.11 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 103.005 -2.961 . . . . 0.0 103.005 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 13.3 tpt180 . . . . . 0 C--N 1.374 1.64 0 C-N-CA 131.19 3.796 . . . . 0.0 112.708 -174.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.971 0.891 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -93.55 105.1 17.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 128.61 2.764 . . . . 0.0 103.634 177.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.81 84.89 6.74 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 178.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.265 17.6 tpt180 . . . . . 0 C--N 1.368 1.402 1 C-N-CA 131.73 4.012 . . . . 0.0 114.417 -176.439 . . . . . . . . 2 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 . . . . . 0 N--CA 1.465 0.31 0 CA-C-O 122.21 1.005 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -91.9 113.66 25.98 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 178.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -84.35 77.49 9.98 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 102.772 -3.048 . . . . 0.0 102.772 177.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.357 4.8 tpm_? . . . . . 0 C--N 1.375 1.71 1 C-N-CA 131.87 4.068 . . . . 0.0 112.733 -173.977 . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -80.24 89.58 5.49 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 126.747 2.019 . . . . 0.0 107.063 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -101.32 -66.19 0.93 Allowed 'General case' 0 C--N 1.36 1.061 0 C-N-CA 126.759 2.024 . . . . 0.0 109.062 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -30.87 71.56 Favored 'General case' 0 C--N 1.374 1.658 0 C-N-CA 126.719 2.008 . . . . 0.0 115.252 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -61.25 -50.72 71.93 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 127.25 2.22 . . . . 0.0 111.388 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -58.55 3.21 Favored 'General case' 0 C--N 1.369 1.453 0 C-N-CA 127.49 2.316 . . . . 0.0 111.175 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -65.15 127.67 32.63 Favored 'General case' 0 C--N 1.375 1.686 0 C-N-CA 125.365 1.466 . . . . 0.0 110.433 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -115.82 153.68 31.04 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 125.98 1.712 . . . . 0.0 110.181 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -74.08 -113.55 0.01 OUTLIER 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.172 2.189 . . . . 0.0 109.911 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.85 123.99 34.15 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 119.908 1.231 . . . . 0.0 108.836 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -163.06 119.64 1.85 Allowed 'General case' 0 C--N 1.364 1.198 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -94.23 134.53 36.59 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 126.07 1.748 . . . . 0.0 108.976 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -91.93 104.68 17.07 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -85.52 79.87 9.26 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 103.073 -2.936 . . . . 0.0 103.073 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 12.93 70.57 0.01 OUTLIER 'General case' 0 C--N 1.38 1.929 0 C-N-CA 131.115 3.766 . . . . 0.0 112.228 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.328 50.8 mt-30 -59.89 -57.14 14.16 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 126.082 1.753 . . . . 0.0 115.62 -175.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? . . . . . 0 C--O 1.263 1.786 0 C-N-CA 128.589 2.756 . . . . 0.0 106.8 -179.646 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.344 0 O4'-C1'-N19 110.854 2.654 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.496 0 O4'-C1'-N19 110.531 2.331 . 0.957 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.618 ' H3 ' ' H61' ' B' ' 25' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.548 2.919 0 O4'-C1'-N19 112.154 3.954 . 0.944 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 0 O4'-C1'-N19 110.958 2.758 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.132 1 O4'-C1'-N19 112.89 4.69 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 1 O4'-C1'-N19 113.419 5.219 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.421 0 O4'-C1'-N19 111.458 3.258 . 0.341 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.568 3.993 0 C4'-C3'-O3' 118.118 2.891 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.579 -2.37 1 P-O3'-C3' 134.844 12.62 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.838 0 O4'-C1'-N19 111.36 3.16 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.857 0 O4'-C1'-N19 112.173 3.973 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.138 0 O5'-C5'-C4' 113.224 2.16 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.97 1 P-O3'-C3' 126.616 5.764 . 0.228 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.47 1 P-O3'-C3' 129.506 8.172 . 0.01 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.647 0 P-O3'-C3' 124.363 3.886 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.744 1 O4'-C1'-N19 113.193 4.993 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.097 1 P-O3'-C3' 124.608 4.09 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.641 1 O4'-C1'-N19 112.946 4.746 . 0.493 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.205 1 O4'-C1'-N19 112.923 4.723 . 0.337 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.37 2 O4'-C1'-N19 112.884 4.684 . 0.094 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.988 0 C3'-C2'-C1' 103.757 2.508 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.571 0 P-O3'-C3' 123.081 2.818 . 0.727 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.429 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.968 0 P-O3'-C3' 123.468 3.14 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.429 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.549 2.993 0 O4'-C1'-N19 111.555 3.355 . 0.884 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.618 ' H61' ' H3 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.499 0 O4'-C1'-N19 111.97 3.77 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.024 1 O4'-C1'-N19 112.58 4.38 . 0.874 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 1 O4'-C1'-N19 112.334 4.134 . 0.898 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.9 m . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.9 mmt-85 -149.4 131.6 15.46 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 126.596 1.958 . . . . 0.0 107.288 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -62.46 -16.8 57.37 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.079 2.152 . . . . 0.0 114.82 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.12 116.01 3.62 Favored 'General case' 0 C--N 1.367 1.353 0 C-N-CA 128.372 2.669 . . . . 0.0 104.533 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -71.01 117.7 12.84 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 124.46 1.104 . . . . 0.0 112.102 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.24 126.62 52.66 Favored 'General case' 0 C--N 1.365 1.246 0 C-N-CA 126.762 2.025 . . . . 0.0 108.988 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.43 116.32 0.15 Allowed 'General case' 0 C--N 1.373 1.617 0 N-CA-C 105.674 -1.973 . . . . 0.0 105.674 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -76.34 119.89 20.85 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 124.803 1.241 . . . . 0.0 111.088 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -79.98 -88.21 0.07 Allowed 'General case' 0 C--N 1.366 1.295 0 C-N-CA 126.359 1.864 . . . . 0.0 109.923 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.35 122.35 39.65 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 123.763 0.825 . . . . 0.0 112.077 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.2 115.0 0.02 OUTLIER 'General case' 0 C--N 1.373 1.594 0 C-N-CA 127.855 2.462 . . . . 0.0 105.536 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 26.5 t-105 -81.44 112.64 18.88 Favored 'General case' 0 C--N 1.376 1.733 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -87.28 105.69 17.41 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 102.057 -3.312 . . . . 0.0 102.057 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -79.77 85.69 5.42 Favored 'General case' 0 C--N 1.376 1.757 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.368 3.3 tpp85 14.97 71.7 0.01 OUTLIER 'General case' 0 C--N 1.37 1.464 0 C-N-CA 130.518 3.527 . . . . 0.0 113.828 -173.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.285 45.4 tt0 108.33 110.35 0.01 OUTLIER 'General case' 0 C--N 1.371 1.525 1 C-N-CA 132.131 4.172 . . . . 0.0 106.357 -178.309 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 . . . . . 0 C--O 1.261 1.661 0 C-N-CA 128.177 2.591 . . . . 0.0 109.669 -179.439 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 O4'-C1'-N19 110.307 2.107 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 P-O3'-C3' 123.755 3.38 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.972 1 O4'-C1'-N19 113.094 4.894 . 0.846 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.103 1 O4'-C1'-N19 112.6 4.4 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.853 1 O4'-C1'-N19 113.441 5.241 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.449 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.541 1 O4'-C1'-N19 113.994 5.794 . 0.75 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.449 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.56 3.83 1 O4'-C1'-N19 112.456 4.256 . 0.322 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.423 " H4'" " H5'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.557 2.946 1 P-O3'-C3' 125.34 4.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.423 " H5'" " H4'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.757 1 P-O3'-C3' 125.415 4.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.551 2.329 0 P-O3'-C3' 124.15 3.708 . 0.775 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.325 1 P-O3'-C3' 124.531 4.026 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.777 0 O4'-C1'-N19 111.528 3.328 . 0.458 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.699 0 P-O3'-C3' 123.586 3.238 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.588 0 O4'-C1'-N19 111.351 3.151 . 0.17 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.56 3.17 1 P-O3'-C3' 125.508 4.84 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.909 1 C3'-C2'-C1' 106.454 5.505 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.239 0 P-O3'-C3' 123.552 3.21 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.56 0 P-O3'-C3' 124.37 3.892 . 0.145 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.959 1 O4'-C1'-N19 112.637 4.437 . 0.077 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.562 3.383 1 P-O3'-C3' 124.752 4.21 . 0.155 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.429 0 O4'-C1'-N19 111.435 3.235 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.888 0 O4'-C1'-N19 111.037 2.837 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.888 0 P-O3'-C3' 123.078 2.815 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.891 1 O4'-C1'-N19 112.334 4.134 . 0.93 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.685 0 O4'-C1'-N19 111.5 3.3 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.953 1 O4'-C1'-N19 112.5 4.3 . 0.871 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.851 0 O4'-C1'-N19 112.138 3.938 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.99 63.42 0.7 Allowed 'General case' 0 C--N 1.364 1.237 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -171.8 156.22 4.16 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 128.394 2.677 . . . . 0.0 109.627 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.39 148.9 23.24 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.313 2.245 . . . . 0.0 110.573 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.71 -58.45 1.96 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.81 2.044 . . . . 0.0 109.988 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -87.25 164.92 16.04 Favored 'General case' 0 C--N 1.371 1.5 0 C-N-CA 128.413 2.685 . . . . 0.0 110.053 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -55.31 121.62 9.31 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 127.056 2.143 . . . . 0.0 109.823 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HD2' ' H41' ' B' ' 6' ' ' ' C' . 4.6 mmp_? -86.48 -76.82 0.34 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.4 1.88 . . . . 0.0 108.603 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.12 138.11 38.59 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 125.997 1.719 . . . . 0.0 109.383 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -95.63 98.32 10.4 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 103.547 -2.76 . . . . 0.0 103.547 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -134.79 137.04 43.01 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.387 1.875 . . . . 0.0 109.644 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -83.33 127.66 33.85 Favored 'General case' 0 C--N 1.369 1.445 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -100.37 116.09 31.51 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 102.286 -3.228 . . . . 0.0 102.286 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -82.27 81.51 8.13 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 101.919 -3.363 . . . . 0.0 101.919 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.324 18.8 tpt180 19.49 77.43 0.01 OUTLIER 'General case' 0 C--N 1.375 1.701 0 C-N-CA 130.76 3.624 . . . . 0.0 112.947 -173.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.254 60.7 tp60 95.46 115.09 0.02 OUTLIER 'General case' 0 C--N 1.374 1.662 0 C-N-CA 130.662 3.585 . . . . 0.0 107.123 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.3 tpt85 . . . . . 0 C--O 1.262 1.719 0 C-N-CA 125.599 1.56 . . . . 0.0 107.741 179.308 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.256 0 O4'-C1'-N19 110.246 2.046 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.749 0 P-O3'-C3' 123.24 2.95 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.629 0 O4'-C1'-N19 112.045 3.845 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 0 O4'-C1'-N19 111.47 3.27 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.005 1 O4'-C1'-N19 113.354 5.154 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.451 ' H41' ' HD2' ' A' ' 41' ' ' ARG . . . . . . . . 0 C5'--C4' 1.548 2.918 1 O4'-C1'-N19 113.292 5.092 . 0.727 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 1 O4'-C1'-N19 112.715 4.515 . 0.741 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.559 3.116 1 P-O3'-C3' 125.689 4.991 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.761 1 P-O3'-C3' 138.76 15.883 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.195 0 O4'-C1'-N19 111.602 3.402 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.57 0 O4'-C1'-N19 111.333 3.133 . 0.489 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.619 0 O4'-C1'-N19 111.119 2.919 . 0.466 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.9 0 P-O3'-C3' 124.116 3.68 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 2.623 1 P-O3'-C3' 125.585 4.904 . 0.017 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 2.551 0 P-O3'-C3' 123.856 3.463 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.046 0 O4'-C1'-N19 111.755 3.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.778 1 P-O3'-C3' 124.57 4.058 . 0.065 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.553 2.546 1 P-O3'-C3' 125.14 4.533 . 0.129 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.724 0 O4'-C1'-N19 111.925 3.725 . 0.482 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 2.969 0 C3'-C2'-C1' 104.875 3.751 . 0.636 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.463 " H2'" ' H8 ' ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.463 1 O4'-C1'-N19 112.706 4.506 . 0.574 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . 0.463 ' H8 ' " H2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.846 0 OP1-P-OP2 115.854 -2.497 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 0 P-O3'-C3' 123.318 3.015 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.841 1 O4'-C1'-N19 112.477 4.277 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.702 0 P-O3'-C3' 123.024 2.77 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.764 1 O4'-C1'-N19 112.787 4.587 . 0.881 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 0 O4'-C1'-N19 112.047 3.847 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.1 p . . . . . 0 N--CA 1.496 1.836 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -143.86 120.49 11.12 Favored 'General case' 0 C--N 1.366 1.289 0 C-N-CA 128.068 2.547 . . . . 0.0 104.784 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -64.31 148.82 49.44 Favored 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 128.225 2.61 . . . . 0.0 112.012 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.15 -70.94 0.77 Allowed 'General case' 0 C--N 1.349 0.571 0 C-N-CA 127.269 2.228 . . . . 0.0 109.528 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.81 125.91 28.66 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 125.957 1.703 . . . . 0.0 109.209 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.09 141.25 44.19 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 126.914 2.086 . . . . 0.0 109.0 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -158.19 -66.55 0.09 Allowed 'General case' 0 C--N 1.368 1.394 0 N-CA-C 104.478 -2.415 . . . . 0.0 104.478 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . 0.254 0.8 OUTLIER 74.98 136.05 0.06 Allowed 'General case' 0 C--N 1.379 1.856 0 C-N-CA 129.148 2.979 . . . . 0.0 112.686 178.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -65.2 174.54 2.0 Allowed 'General case' 0 C--N 1.364 1.23 0 C-N-CA 128.552 2.741 . . . . 0.0 113.328 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -89.72 115.63 27.23 Favored 'General case' 0 C--N 1.37 1.476 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.44 113.44 9.82 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 101.812 -3.403 . . . . 0.0 101.812 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -62.81 121.92 14.64 Favored 'General case' 0 C--N 1.376 1.732 0 CA-C-O 122.172 0.987 . . . . 0.0 109.614 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.672 ' HA ' ' H22' ' B' ' 9' ' ' ' G' . 19.2 ttm105 -93.51 110.2 21.78 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 102.499 -3.149 . . . . 0.0 102.499 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -85.48 83.0 8.06 Favored 'General case' 0 C--N 1.372 1.549 0 N-CA-C 101.443 -3.54 . . . . 0.0 101.443 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.362 10.4 tpt180 13.77 75.74 0.01 OUTLIER 'General case' 0 C--N 1.367 1.338 0 C-N-CA 131.256 3.823 . . . . 0.0 114.72 -173.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.407 1.0 OUTLIER 49.56 98.22 0.01 OUTLIER 'General case' 0 C--N 1.368 1.408 0 C-N-CA 131.334 3.854 . . . . 0.0 116.649 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? . . . . . 0 C--O 1.262 1.744 0 C-N-CA 127.598 2.359 . . . . 0.0 105.011 176.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.166 0 O4'-C1'-N19 110.437 2.237 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.635 0 O4'-C1'-N19 111.203 3.003 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 1 O4'-C1'-N19 112.806 4.606 . 0.881 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.621 0 P-O3'-C3' 122.923 2.686 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.91 1 O4'-C1'-N19 113.086 4.886 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.951 1 O4'-C1'-N19 114.298 6.098 . 0.471 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.684 1 O4'-C1'-N19 112.926 4.726 . 0.659 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.56 3.175 0 C4'-C3'-C2' 106.03 3.33 . 0.619 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.672 ' H22' ' HA ' ' A' ' 46' ' ' ARG . . . . . . . . 0 C5'--C4' 1.546 2.75 0 P-O3'-C3' 123.592 3.244 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.58 -2.222 0 P-O3'-C3' 123.569 3.224 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.944 0 O4'-C1'-N19 110.733 2.533 . 0.781 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.496 0 O4'-C1'-N19 110.748 2.548 . 0.499 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.89 0 P-O3'-C3' 122.37 2.225 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.653 2 P-O3'-C3' 125.586 4.905 . 0.067 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.215 1 P-O3'-C3' 124.537 4.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.561 3.295 3 N19-C1'-C2' 120.425 4.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.463 0 N19-C1'-C2' 117.199 2.374 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.782 2 O4'-C1'-N19 113.614 5.414 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.2 2 O4'-C1'-N19 112.525 4.325 . 0.149 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.464 2 P-O3'-C3' 125.425 4.771 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.101 0 OP1-P-OP2 116.586 -2.009 . 0.941 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.148 0 N19-C1'-C2' 119.493 3.808 . 0.174 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.502 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.547 2.838 0 P-O3'-C3' 122.626 2.438 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.502 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.88 0 O4'-C1'-N19 112.179 3.979 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.636 0 O4'-C1'-N19 111.483 3.283 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.001 1 O4'-C1'-N19 112.943 4.743 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.955 0 O4'-C1'-N19 112.19 3.99 . 0.876 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.49 -26.92 63.83 Favored 'General case' 0 C--N 1.369 1.42 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -177.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -85.3 -65.4 1.01 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 127.414 2.286 . . . . 0.0 108.334 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.43 128.04 56.2 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 125.728 1.611 . . . . 0.0 107.861 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.329 25.7 mmt180 80.02 54.97 0.02 OUTLIER 'General case' 0 C--N 1.364 1.198 0 C-N-CA 129.452 3.101 . . . . 0.0 110.899 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.1 ttp-105 -93.16 -67.72 0.84 Allowed 'General case' 0 C--N 1.366 1.283 0 C-N-CA 129.018 2.927 . . . . 0.0 110.431 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -77.6 143.71 38.06 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 126.865 2.066 . . . . 0.0 112.081 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.05 162.09 26.13 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 126.721 2.009 . . . . 0.0 112.509 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.1 mtm105 -62.88 177.77 0.53 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.021 2.928 . . . . 0.0 113.542 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -84.01 97.17 9.13 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 103.172 -2.899 . . . . 0.0 103.172 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.2 ttp-105 -139.04 126.85 22.1 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 126.162 1.785 . . . . 0.0 107.894 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -82.04 132.97 35.26 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-O 122.843 1.306 . . . . 0.0 109.822 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.518 ' HA ' ' H1 ' ' B' ' 9' ' ' ' G' . 75.5 mtp180 -100.36 104.5 15.94 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -84.87 77.87 10.01 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 102.036 -3.32 . . . . 0.0 102.036 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.333 22.1 mmm180 3.19 70.96 0.0 OUTLIER 'General case' 0 C--N 1.375 1.685 1 C-N-CA 131.974 4.11 . . . . 0.0 114.956 -174.097 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 73.68 107.18 0.07 Allowed 'General case' 0 C--N 1.375 1.681 0 C-N-CA 128.432 2.693 . . . . 0.0 109.674 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 . . . . . 0 C--O 1.261 1.708 0 C-N-CA 126.812 2.045 . . . . 0.0 107.413 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.141 0 O4'-C1'-N19 110.641 2.441 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.55 3.052 0 O4'-C1'-N19 111.554 3.354 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.415 ' C6 ' " H2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 2.962 1 O4'-C1'-N19 112.692 4.492 . 0.862 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 0 O4'-C1'-N19 111.239 3.039 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.133 1 O4'-C1'-N19 113.474 5.274 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.751 1 O4'-C1'-N19 114.25 6.05 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.241 0 O4'-C1'-N19 111.912 3.712 . 0.137 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.565 3.69 0 C2'-C3'-O3' 120.037 3.227 OUTLIER-DELTA 0.0 OUTLIER '7D dist 2g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.518 ' H1 ' ' HA ' ' A' ' 46' ' ' ARG . . . . . . . . 0 P--O3' 1.571 -3.011 1 P-O3'-C3' 134.55 12.375 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.335 0 O4'-C1'-N19 112.136 3.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.095 0 O4'-C1'-N19 111.026 2.826 . 0.116 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.551 0 N19-C1'-C2' 117.877 2.798 . 0.693 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.556 0 P-O3'-C3' 123.691 3.326 . 0.391 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.73 1 P-O3'-C3' 132.0 10.25 . 0.123 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 2.686 0 P-O3'-C3' 123.189 2.907 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.368 1 O4'-C1'-N19 112.32 4.12 . 0.291 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.167 1 P-O3'-C3' 125.764 5.053 . 0.204 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.848 0 C3'-C2'-C1' 104.96 3.844 . 0.235 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.943 1 O4'-C1'-N19 113.313 5.113 . 0.351 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.861 1 O4'-C1'-N19 113.204 5.004 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.89 0 O4'-C1'-N19 111.04 2.84 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.586 0 N19-C1'-C2' 118.322 3.076 . 0.698 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.545 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.075 0 P-O3'-C3' 123.512 3.177 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.545 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.092 1 P-O3'-C3' 124.534 4.028 . 0.799 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.732 0 O4'-C1'-N19 110.994 2.794 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.157 1 O4'-C1'-N19 112.5 4.3 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.902 0 O4'-C1'-N19 111.984 3.784 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.501 2.122 0 CA-C-O 121.458 0.647 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 tpt85 -64.19 -48.84 74.37 Favored 'General case' 0 C--N 1.368 1.388 0 C-N-CA 127.118 2.167 . . . . 0.0 112.765 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -175.73 139.34 0.41 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 130.76 3.624 . . . . 0.0 108.956 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 72.71 162.4 0.26 Allowed 'General case' 0 C--N 1.366 1.308 0 C-N-CA 127.998 2.519 . . . . 0.0 114.152 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.346 50.5 ttt-85 77.58 -74.54 0.07 Allowed 'General case' 0 C--N 1.367 1.362 0 C-N-CA 130.459 3.504 . . . . 0.0 109.478 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -84.41 -65.53 1.0 Allowed 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.876 1.67 . . . . 0.0 110.41 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -92.11 115.98 28.54 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.087 1.755 . . . . 0.0 107.769 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -81.6 152.85 26.99 Favored 'General case' 0 C--N 1.37 1.484 0 C-N-CA 124.523 1.129 . . . . 0.0 111.271 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -74.19 -116.04 0.01 OUTLIER 'General case' 0 C--N 1.37 1.486 0 C-N-CA 127.875 2.47 . . . . 0.0 110.08 -178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -116.25 116.1 27.16 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -142.33 119.37 11.34 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 125.883 1.673 . . . . 0.0 109.815 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -112.76 127.28 56.1 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.803 1.641 . . . . 0.0 106.628 177.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -101.76 115.91 31.57 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 102.964 -2.976 . . . . 0.0 102.964 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -79.72 83.95 5.61 Favored 'General case' 0 C--N 1.373 1.592 0 N-CA-C 101.957 -3.349 . . . . 0.0 101.957 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.334 15.9 tpt180 8.05 71.6 0.01 OUTLIER 'General case' 0 C--N 1.377 1.774 0 C-N-CA 131.274 3.83 . . . . 0.0 114.209 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -116.35 79.85 1.37 Allowed 'General case' 0 C--N 1.369 1.435 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 . . . . . 0 C--O 1.261 1.66 0 C-N-CA 126.272 1.829 . . . . 0.0 108.474 -179.503 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.685 0 O4'-C1'-N19 110.477 2.277 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.473 " H2'" ' C6 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.756 0 O4'-C1'-N19 111.35 3.15 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.473 ' C6 ' " H2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 2.971 1 O4'-C1'-N19 112.778 4.578 . 0.869 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.886 0 O4'-C1'-N19 111.009 2.809 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.924 1 O4'-C1'-N19 112.295 4.095 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.883 1 O4'-C1'-N19 113.691 5.491 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.452 1 O4'-C1'-N19 112.744 4.544 . 0.337 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.567 3.881 0 C1'-O4'-C4' 106.988 -2.902 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.487 1 P-O3'-C3' 134.966 12.722 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.125 0 O4'-C1'-N19 111.12 2.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.555 2.669 0 P-O3'-C3' 124.04 3.617 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 0 O4'-C1'-N19 112.091 3.891 . 0.24 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.05 0 P-O5'-C5' 116.777 -2.577 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.565 0 P-O3'-C3' 124.392 3.91 . 0.621 0i . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 0 P-O3'-C3' 124.486 3.988 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.811 1 P-O3'-C3' 125.771 5.059 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.165 1 P-O3'-C3' 125.148 4.54 . 0.068 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.495 1 O4'-C1'-N19 113.384 5.184 . 0.652 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.742 1 O4'-C1'-N19 112.227 4.027 . 0.689 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.728 1 O4'-C1'-N19 114.019 5.819 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.335 0 O4'-C1'-N19 111.504 3.304 . 0.027 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.674 0 P-O3'-C3' 124.178 3.731 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.447 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.068 0 P-O3'-C3' 123.199 2.916 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.447 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.838 0 O4'-C1'-N19 111.722 3.522 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.585 0 O4'-C1'-N19 111.209 3.009 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 1 O4'-C1'-N19 112.673 4.473 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.003 0 O4'-C1'-N19 111.945 3.745 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.322 0.582 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.28 9.0 24.65 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 124.993 1.317 . . . . 0.0 112.319 176.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.03 -61.6 1.38 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 129.926 3.291 . . . . 0.0 106.951 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -162.91 -95.97 0.02 OUTLIER 'General case' 0 C--N 1.378 1.805 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.31 17.0 tpt180 44.59 -93.96 0.02 OUTLIER 'General case' 0 C--N 1.373 1.596 0 C-N-CA 130.43 3.492 . . . . 0.0 114.101 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -60.46 -40.6 91.79 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 127.074 2.15 . . . . 0.0 112.061 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -59.68 -36.55 76.69 Favored 'General case' 0 C--N 1.372 1.563 0 C-N-CA 127.092 2.157 . . . . 0.0 110.484 174.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . 0.331 37.7 mmt180 81.84 -125.21 0.01 OUTLIER 'General case' 0 C--N 1.376 1.75 0 C-N-CA 130.226 3.411 . . . . 0.0 109.233 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.7 139.47 33.65 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 126.876 2.071 . . . . 0.0 108.118 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.1 ttm105 -96.32 100.98 12.55 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -144.66 141.26 29.21 Favored 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.325 2.65 . . . . 0.0 107.361 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -79.02 117.95 20.56 Favored 'General case' 0 C--N 1.371 1.503 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.511 ' HG3' ' H ' ' A' ' 49' ' ' GLN . 2.3 ptp180 -88.88 122.2 32.02 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 102.737 -3.06 . . . . 0.0 102.737 175.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.23 74.8 10.38 Favored 'General case' 0 C--N 1.37 1.471 0 N-CA-C 102.403 -3.184 . . . . 0.0 102.403 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.47 HH21 ' HE ' ' A' ' 50' ' ' ARG . 11.3 tpt180 32.15 77.3 0.03 OUTLIER 'General case' 0 C--N 1.375 1.715 0 C-N-CA 129.836 3.254 . . . . 0.0 111.298 -173.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' H ' ' HG3' ' A' ' 46' ' ' ARG 0.331 19.5 pt20 -64.45 4.25 0.39 Allowed 'General case' 0 C--N 1.375 1.717 0 N-CA-C 120.435 3.494 . . . . 0.0 120.435 -175.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.47 ' HE ' HH21 ' A' ' 48' ' ' ARG . 51.1 ptt85 . . . . . 0 C--O 1.26 1.641 0 C-N-CA 125.614 1.566 . . . . 0.0 108.638 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.136 0 O4'-C1'-N19 110.592 2.392 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.211 0 P-O3'-C3' 124.354 3.878 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.306 1 O4'-C1'-N19 112.674 4.474 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 0 O4'-C1'-N19 111.474 3.274 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.178 1 O4'-C1'-N19 112.76 4.56 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.451 3.093 1 O4'-C1'-N19 112.785 4.585 . 0.842 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.129 1 O4'-C1'-N19 112.356 4.156 . 0.613 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.564 3.598 0 O5'-C5'-C4' 114.584 3.132 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.714 0 P-O3'-C3' 124.239 3.783 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 1 O4'-C1'-N19 113.743 5.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.308 0 O4'-C1'-N19 111.25 3.05 . 0.583 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.796 0 O4'-C1'-N19 111.525 3.325 . 0.447 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.442 0 P-O3'-C3' 124.132 3.694 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.495 1 P-O3'-C3' 126.052 5.293 . 0.127 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.404 1 P-O3'-C3' 125.43 4.775 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.841 0 O4'-C1'-N19 112.023 3.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.15 2 P-O3'-C3' 125.031 4.442 . 0.527 0a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.384 1 O4'-C1'-N19 113.186 4.986 . 0.553 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.366 1 O4'-C1'-N19 112.931 4.731 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.915 1 O4'-C1'-N19 113.376 5.176 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.844 0 O4'-C1'-N19 111.136 2.936 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . 0.466 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.749 0 O4'-C1'-N19 111.745 3.545 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.49 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.959 0 O4'-C1'-N19 111.318 3.118 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.49 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.059 0 O4'-C1'-N19 112.075 3.875 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.723 0 O4'-C1'-N19 110.919 2.719 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.041 1 O4'-C1'-N19 112.522 4.322 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.03 0 O4'-C1'-N19 111.969 3.769 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.9 p . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.07 0.462 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.31 91.47 8.8 Favored 'General case' 0 C--N 1.367 1.328 0 N-CA-C 104.312 -2.477 . . . . 0.0 104.312 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.287 67.3 mt-30 74.88 -65.53 0.34 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 128.699 2.8 . . . . 0.0 110.898 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . 0.28 . . 97.4 -107.16 0.0 OUTLIER 'General case' 0 C--N 1.377 1.78 0 C-N-CA 129.932 3.293 . . . . 0.0 106.755 -178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -134.62 116.87 15.49 Favored 'General case' 0 C--N 1.37 1.498 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HE ' " C5'" ' B' ' 19' ' ' ' U' . 0.0 OUTLIER -88.75 74.49 8.33 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 127.703 2.401 . . . . 0.0 106.858 178.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -100.74 125.12 47.17 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.872 2.069 . . . . 0.0 107.654 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.676 ' HA ' ' HE ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -127.02 130.43 49.99 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.181 1.793 . . . . 0.0 107.918 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.269 29.3 mmt180 -68.52 -103.78 0.0 OUTLIER 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.309 2.244 . . . . 0.0 113.652 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -124.38 126.24 45.63 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 119.928 1.24 . . . . 0.0 111.37 -176.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.32 114.69 1.94 Allowed 'General case' 0 C--N 1.368 1.38 0 C-N-CA 126.839 2.055 . . . . 0.0 106.023 177.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 47.5 t-105 -93.82 128.77 40.26 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 125.195 1.398 . . . . 0.0 109.279 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.61 117.34 29.87 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 104.096 -2.557 . . . . 0.0 104.096 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -85.27 80.99 8.98 Favored 'General case' 0 C--N 1.373 1.605 0 N-CA-C 103.252 -2.869 . . . . 0.0 103.252 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 2.7 tpt180 31.51 70.62 0.09 Allowed 'General case' 0 C--N 1.372 1.561 0 C-N-CA 130.11 3.364 . . . . 0.0 111.589 -175.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.272 24.9 tt0 90.85 102.23 0.02 OUTLIER 'General case' 0 C--N 1.37 1.483 0 C-N-CA 130.311 3.444 . . . . 0.0 106.599 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 . . . . . 0 C--O 1.26 1.639 0 C-N-CA 128.001 2.52 . . . . 0.0 111.142 179.754 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.219 0 O4'-C1'-N19 111.463 3.263 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 0 O4'-C1'-N19 111.326 3.126 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.122 1 O4'-C1'-N19 112.458 4.258 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.55 0 O4'-C1'-N19 111.4 3.2 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 1 O4'-C1'-N19 113.259 5.059 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.417 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.755 1 O4'-C1'-N19 114.273 6.073 . 0.678 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.417 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.188 1 O4'-C1'-N19 113.376 5.176 . 0.804 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.576 4.78 0 C1'-O4'-C4' 106.651 -3.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.735 0 P-O5'-C5' 124.654 2.346 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.251 0 O4'-C1'-N19 111.496 3.296 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.521 0 P-O3'-C3' 124.325 3.855 . 0.477 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.832 0 P-O3'-C3' 122.334 2.195 . 0.408 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.922 0 P-O3'-C3' 123.594 3.245 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.871 1 P-O3'-C3' 126.756 5.88 . 0.516 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.406 0 P-O3'-C3' 123.883 3.486 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.685 1 C3'-C2'-C1' 105.299 4.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.246 0 P-O3'-C3' 123.476 3.146 . 0.022 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.635 2 O4'-C1'-N19 114.343 6.143 . 0.0 OUTLIER '7D dist 4a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . 0.42 " C5'" ' HE ' ' A' ' 39' ' ' ARG . . . . . . . . 0 C5'--C4' 1.55 3.112 1 O4'-C1'-N19 112.833 4.633 . 0.286 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.038 0 P-O3'-C3' 123.236 2.946 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.799 0 O4'-C1'-N19 111.313 3.113 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . 0.412 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.541 2.368 0 N19-C1'-C2' 117.267 2.417 . 0.571 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.435 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.741 1 P-O3'-C3' 124.728 4.19 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.435 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.81 0 O4'-C1'-N19 111.895 3.695 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.631 0 O4'-C1'-N19 111.007 2.807 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.821 1 O4'-C1'-N19 112.86 4.66 . 0.933 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.975 0 O4'-C1'-N19 112.129 3.929 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 106.522 -1.659 . . . . 0.0 106.522 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -82.17 97.89 8.44 Favored 'General case' 0 C--N 1.371 1.539 0 N-CA-C 104.181 -2.526 . . . . 0.0 104.181 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.31 16.4 pt20 50.95 82.99 0.05 Allowed 'General case' 0 C--N 1.363 1.182 0 C-N-CA 128.814 2.846 . . . . 0.0 111.116 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.55 -63.8 1.05 Allowed 'General case' 0 C--N 1.361 1.099 0 C-N-CA 126.528 1.931 . . . . 0.0 110.644 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -61.76 130.6 46.54 Favored 'General case' 0 C--N 1.369 1.413 0 C-N-CA 126.838 2.055 . . . . 0.0 111.369 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -79.42 -79.43 0.14 Allowed 'General case' 0 C--N 1.369 1.442 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -90.06 111.48 22.61 Favored 'General case' 0 C--N 1.379 1.853 0 N-CA-C 102.758 -3.053 . . . . 0.0 102.758 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -80.51 0.04 OUTLIER 'General case' 0 C--N 1.365 1.253 0 C-N-CA 125.252 1.421 . . . . 0.0 111.389 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -115.23 138.98 50.35 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 126.905 2.082 . . . . 0.0 110.051 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -106.68 93.67 4.71 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 103.941 -2.614 . . . . 0.0 103.941 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -149.61 139.53 21.94 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.226 2.61 . . . . 0.0 106.744 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -65.41 116.68 6.97 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 125.578 1.551 . . . . 0.0 110.944 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -83.63 111.79 19.44 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.266 -2.494 . . . . 0.0 104.266 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -82.47 82.11 8.03 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.251 20.3 tpt180 19.13 67.97 0.02 OUTLIER 'General case' 0 C--N 1.374 1.642 0 C-N-CA 130.828 3.651 . . . . 0.0 113.162 -175.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.275 35.4 tt0 79.72 103.46 0.07 Allowed 'General case' 0 C--N 1.374 1.636 0 C-N-CA 128.765 2.826 . . . . 0.0 108.057 -177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--O 1.261 1.697 0 C-N-CA 128.146 2.579 . . . . 0.0 109.482 -179.181 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.015 0 O4'-C1'-N19 110.053 1.853 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.201 0 N19-C1'-C2' 118.355 3.097 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.086 1 O4'-C1'-N19 112.712 4.512 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.976 0 O4'-C1'-N19 111.54 3.34 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.918 1 O4'-C1'-N19 112.756 4.556 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.905 1 O4'-C1'-N19 113.052 4.852 . 0.836 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.491 " H3'" " H5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.55 3.043 0 O4'-C1'-N19 112.012 3.812 . 0.835 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.491 " H5'" " H3'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.563 3.501 0 C4'-C3'-C2' 106.346 3.646 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.218 1 P-O3'-C3' 135.055 12.795 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.65 1 P-O3'-C3' 124.876 4.313 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.571 1 P-O3'-C3' 125.576 4.897 . 0.204 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.758 0 O4'-C1'-N19 111.254 3.054 . 0.17 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.148 0 C4'-C3'-C2' 105.254 2.554 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.579 -2.369 1 P-O3'-C3' 125.38 4.733 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.354 2 P-O3'-C3' 125.058 4.465 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 2 O4'-C1'-N19 112.585 4.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.617 1 P-O3'-C3' 125.559 4.882 . 0.013 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.967 1 O4'-C1'-N19 113.453 5.253 . 0.305 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.741 1 O4'-C1'-N19 112.48 4.28 . 0.727 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 1 C3'-C2'-C1' 105.34 4.266 OUTLIER-DELTA 0.013 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.414 0 O4'-C1'-N19 111.141 2.941 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . 0.451 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.539 2.254 0 O4'-C1'-N19 110.976 2.776 . 0.641 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.451 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.208 1 P-O3'-C3' 124.604 4.087 . 0.731 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.001 0 P-O3'-C3' 123.941 3.534 . 0.902 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.712 0 P-O3'-C3' 122.904 2.67 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.868 1 O4'-C1'-N19 112.256 4.056 . 0.895 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.124 0 O4'-C1'-N19 112.08 3.88 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.499 1.984 0 CA-C-O 119.043 -0.503 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -149.48 136.15 19.42 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 126.514 1.926 . . . . 0.0 108.091 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.268 67.4 mm-40 79.34 -49.08 0.4 Allowed 'General case' 0 C--N 1.361 1.094 0 C-N-CA 129.114 2.966 . . . . 0.0 112.133 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.22 -99.0 0.01 OUTLIER 'General case' 0 C--N 1.372 1.558 0 C-N-CA 128.245 2.618 . . . . 0.0 109.031 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.04 162.08 15.77 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 127.192 2.197 . . . . 0.0 109.813 178.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.348 18.5 ptt180 53.68 64.37 1.86 Allowed 'General case' 0 C--N 1.366 1.299 0 C-N-CA 127.47 2.308 . . . . 0.0 113.894 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -142.74 90.25 2.2 Favored 'General case' 0 C--N 1.366 1.31 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -115.66 110.09 18.67 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.726 1.61 . . . . 0.0 108.594 -177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.251 0.0 OUTLIER -145.5 52.78 1.18 Allowed 'General case' 0 C--N 1.37 1.495 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -178.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -131.0 74.87 1.62 Allowed 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -171.79 140.29 1.27 Allowed 'General case' 0 C--N 1.374 1.668 0 C-N-CA 124.732 1.213 . . . . 0.0 110.1 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -111.01 119.56 39.46 Favored 'General case' 0 C--N 1.367 1.338 0 N-CA-C 101.599 -3.482 . . . . 0.0 101.599 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.9 ttm-85 -88.37 107.0 18.61 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 102.618 -3.104 . . . . 0.0 102.618 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -84.79 79.78 9.49 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 102.632 -3.099 . . . . 0.0 102.632 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.261 18.0 mmm180 17.57 74.57 0.01 OUTLIER 'General case' 0 C--N 1.377 1.798 0 C-N-CA 130.644 3.577 . . . . 0.0 112.547 -175.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -140.26 95.46 2.89 Favored 'General case' 0 C--N 1.369 1.419 0 C-N-CA 127.003 2.121 . . . . 0.0 106.093 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 C--O 1.26 1.609 0 C-N-CA 125.946 1.698 . . . . 0.0 107.46 -179.77 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.309 0 O4'-C1'-N19 110.322 2.122 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.486 0 P-O3'-C3' 124.375 3.896 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.088 1 O4'-C1'-N19 112.228 4.028 . 0.822 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.643 0 O4'-C1'-N19 110.969 2.769 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 1 O4'-C1'-N19 112.538 4.338 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.75 1 O4'-C1'-N19 114.119 5.919 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.173 1 O4'-C1'-N19 112.918 4.718 . 0.306 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.562 3.393 0 P-O3'-C3' 124.472 3.977 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 1 P-O3'-C3' 125.881 5.151 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 O4'-C1'-N19 112.162 3.962 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.396 0 P-O3'-C3' 122.812 2.594 . 0.736 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.375 0 N19-C1'-C2' 118.925 3.453 . 0.41 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 1 P-O3'-C3' 126.171 5.393 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.922 1 P-O3'-C3' 125.396 4.747 . 0.653 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.273 1 P-O3'-C3' 127.122 6.185 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.806 1 O4'-C1'-N19 112.462 4.262 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.44 0 P-O3'-C3' 124.375 3.896 . 0.35 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 1 O4'-C1'-N19 113.875 5.675 . 0.66 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.937 1 O4'-C1'-N19 112.484 4.284 . 0.62 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 3.032 0 C3'-C2'-C1' 104.637 3.486 . 0.313 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.881 0 P-O3'-C3' 123.272 2.977 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . 0.475 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.522 0 O4'-C1'-N19 111.005 2.805 . 0.484 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.475 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.66 1 P-O3'-C3' 124.79 4.242 . 0.792 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.805 0 O4'-C1'-N19 112.079 3.879 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.588 0 O4'-C1'-N19 111.29 3.09 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.695 1 O4'-C1'-N19 112.574 4.374 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.87 0 O4'-C1'-N19 111.862 3.662 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -92.07 90.96 7.59 Favored 'General case' 0 C--N 1.373 1.618 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -115.99 131.94 56.79 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 129.145 2.978 . . . . 0.0 103.855 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.61 101.57 0.04 OUTLIER 'General case' 0 C--N 1.369 1.435 0 C-N-CA 126.624 1.97 . . . . 0.0 111.219 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -150.19 -30.69 0.21 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 130.696 3.598 . . . . 0.0 109.754 -176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -75.81 118.71 18.91 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 128.385 2.674 . . . . 0.0 107.907 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . 0.271 40.4 t30 69.69 100.38 0.06 Allowed 'General case' 0 C--N 1.374 1.652 0 C-N-CA 128.452 2.701 . . . . 0.0 109.098 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -105.43 -156.98 0.59 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 126.871 2.068 . . . . 0.0 110.143 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 175.38 2.76 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.464 2.705 . . . . 0.0 110.726 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -78.75 116.64 19.23 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -140.59 134.31 30.35 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 127.997 2.519 . . . . 0.0 107.453 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -96.9 130.91 44.12 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 125.409 1.483 . . . . 0.0 107.174 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 -90.07 101.92 14.63 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 101.875 -3.38 . . . . 0.0 101.875 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -83.54 78.46 9.66 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 104.016 -2.587 . . . . 0.0 104.016 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.709 ' HE ' ' HE ' ' A' ' 50' ' ' ARG . 9.8 tpt180 12.13 68.47 0.01 OUTLIER 'General case' 0 C--N 1.373 1.619 0 C-N-CA 131.546 3.938 . . . . 0.0 113.127 -175.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.284 19.3 pt20 -92.21 68.91 5.16 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 125.874 1.67 . . . . 0.0 110.713 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.709 ' HE ' ' HE ' ' A' ' 48' ' ' ARG . 99.8 mtt180 . . . . . 0 C--O 1.262 1.741 0 C-N-CA 128.375 2.67 . . . . 0.0 109.66 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.077 0 O4'-C1'-N19 110.908 2.708 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.739 0 O4'-C1'-N19 111.583 3.383 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.949 1 O4'-C1'-N19 113.342 5.142 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.045 0 P-O3'-C3' 123.79 3.408 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.926 1 O4'-C1'-N19 112.544 4.344 . 0.889 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.513 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.548 2.957 1 O4'-C1'-N19 113.253 5.053 . 0.755 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.513 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.554 3.409 1 O4'-C1'-N19 112.573 4.373 . 0.373 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.561 3.255 0 P-O3'-C3' 124.062 3.635 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 1 P-O3'-C3' 125.656 4.964 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.104 0 P-O3'-C3' 123.254 2.962 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.552 2.386 0 O4'-C4'-C3' 101.151 -3.107 . 0.2 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 O4'-C1'-N19 110.872 2.672 . 0.257 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.432 " H4'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.54 2.295 0 C3'-C2'-C1' 104.169 2.965 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.692 0 O4'-C1'-N19 111.373 3.173 . 0.289 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.495 1 P-O3'-C3' 126.726 5.855 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.725 0 O4'-C1'-N19 111.64 3.44 OUTLIER-DELTA 0.4 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.432 ' H22' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.74 0 P-O3'-C3' 124.031 3.609 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.407 2 O4'-C1'-N19 115.035 6.835 . 0.698 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.259 1 O4'-C1'-N19 113.047 4.847 . 0.184 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 2.479 1 O4'-C1'-N19 112.664 4.464 . 0.02 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.604 0 O4'-C1'-N19 110.803 2.603 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . 0.431 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.543 2.508 0 O4'-C1'-N19 111.571 3.371 . 0.64 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.431 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.548 2.892 0 P-O3'-C3' 123.99 3.575 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.943 1 O4'-C1'-N19 112.386 4.186 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 0 O4'-C1'-N19 111.388 3.188 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.897 1 O4'-C1'-N19 112.284 4.084 . 0.857 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.448 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.891 0 O4'-C1'-N19 112.186 3.986 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -153.02 117.21 4.88 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.581 1.953 . . . . 0.0 105.936 178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.304 66.9 mt-30 70.74 -77.17 0.06 Allowed 'General case' 0 C--N 1.37 1.467 0 C-N-CA 127.199 2.2 . . . . 0.0 108.755 -177.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.84 -163.92 1.34 Allowed 'General case' 0 C--N 1.368 1.378 0 C-N-CA 127.488 2.315 . . . . 0.0 108.316 177.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 74.15 107.85 0.07 Allowed 'General case' 0 C--N 1.37 1.487 0 C-N-CA 128.414 2.685 . . . . 0.0 107.642 -177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.352 34.4 ttm105 70.66 -83.16 0.03 OUTLIER 'General case' 0 C--N 1.365 1.277 0 C-N-CA 128.024 2.53 . . . . 0.0 107.911 -177.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -89.89 133.52 34.71 Favored 'General case' 0 C--N 1.373 1.62 0 CA-C-N 120.035 1.289 . . . . 0.0 109.307 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -94.15 105.94 17.93 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 101.007 -3.701 . . . . 0.0 101.007 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . 0.37 5.1 tpm_? -21.58 -87.55 0.0 OUTLIER 'General case' 0 C--N 1.367 1.359 0 C-N-CA 131.11 3.764 . . . . 0.0 118.134 -173.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -112.94 107.47 16.05 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -161.89 124.18 2.91 Favored 'General case' 0 C--N 1.366 1.294 0 C-N-CA 125.701 1.6 . . . . 0.0 107.249 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -84.41 133.23 34.51 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 126.538 1.935 . . . . 0.0 111.007 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.544 HH21 ' HD2' ' A' ' 48' ' ' ARG . 16.7 ttp-105 -89.57 108.87 19.92 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -83.57 89.9 7.17 Favored 'General case' 0 C--N 1.368 1.413 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.544 ' HD2' HH21 ' A' ' 46' ' ' ARG 0.265 7.4 tpt180 22.31 54.55 0.02 OUTLIER 'General case' 0 C--N 1.365 1.267 0 C-N-CA 131.436 3.895 . . . . 0.0 116.528 -177.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.396 0.1 OUTLIER 43.25 95.74 0.01 OUTLIER 'General case' 0 C--N 1.378 1.836 0 C-N-CA 128.82 2.848 . . . . 0.0 114.098 179.381 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.568 ' H ' ' HD2' ' A' ' 50' ' ' ARG . 3.4 mpt_? . . . . . 0 C--O 1.262 1.715 0 C-N-CA 128.849 2.86 . . . . 0.0 110.769 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.31 0 O4'-C1'-N19 110.349 2.149 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.548 0 P-O3'-C3' 122.561 2.384 . 0.932 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.959 0 O4'-C1'-N19 112.07 3.87 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.481 0 O4'-C1'-N19 111.173 2.973 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.784 1 O4'-C1'-N19 112.679 4.479 . 0.853 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.668 1 O4'-C1'-N19 114.12 5.92 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.201 1 O4'-C1'-N19 112.675 4.475 . 0.901 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.578 5.018 0 P-O3'-C3' 122.936 2.697 . 0.498 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.557 2.881 0 P-O3'-C3' 124.388 3.907 OUTLIER-EPSILON 0.077 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . 0.401 ' H1 ' ' H42' ' B' ' 20' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.539 2.25 1 P-O3'-C3' 132.48 10.65 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.585 0 P-O3'-C3' 124.097 3.664 . 0.127 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.629 0 O4'-C1'-N19 110.862 2.662 . 0.02 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.605 " H4'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.438 0 C3'-C2'-C1' 104.449 3.277 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.514 0 P-O3'-C3' 123.327 3.023 . 0.457 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.549 0 P-O5'-C5' 125.375 2.797 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.224 1 O4'-C1'-N19 113.33 5.13 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.605 ' H22' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.554 3.347 1 P-O3'-C3' 125.94 5.2 . 0.0 OUTLIER '7D dist 3b' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.828 2 O4'-C1'-N19 114.122 5.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.556 3.575 1 O4'-C1'-N19 112.87 4.67 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . 0.401 ' H42' ' H1 ' ' B' ' 10' ' ' ' G' . . . . . . . . 0 C2'--C1' 1.554 2.618 1 P-O3'-C3' 124.913 4.344 . 0.458 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.358 0 P-O3'-C3' 124.091 3.659 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.578 0 P-O3'-C3' 123.241 2.951 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.708 0 O4'-C1'-N19 110.737 2.537 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.743 0 O4'-C1'-N19 112.127 3.927 . 0.918 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.651 0 O4'-C1'-N19 111.084 2.884 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.913 1 O4'-C1'-N19 113.015 4.815 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.056 0 O4'-C1'-N19 111.823 3.623 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -85.55 96.47 9.65 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 127.059 2.144 . . . . 0.0 105.697 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.351 78.6 mt-30 80.53 -72.9 0.06 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 130.02 3.328 . . . . 0.0 109.887 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.02 135.47 7.41 Favored 'General case' 0 C--N 1.373 1.62 0 C-N-CA 128.008 2.523 . . . . 0.0 113.314 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . 0.262 1.4 mpt_? 78.19 -50.43 0.49 Allowed 'General case' 0 C--N 1.367 1.359 0 C-N-CA 128.939 2.896 . . . . 0.0 112.747 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -73.23 -50.46 22.27 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 128.498 2.719 . . . . 0.0 115.386 -176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -56.19 128.8 37.37 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 127.425 2.29 . . . . 0.0 112.069 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' HD3' ' H ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -90.2 166.38 13.4 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 128.192 2.597 . . . . 0.0 112.599 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' H ' ' HD3' ' A' ' 41' ' ' ARG . 33.6 ttp180 -63.1 152.54 36.9 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 128.594 2.758 . . . . 0.0 111.178 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -85.5 104.93 15.73 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -161.01 116.3 2.15 Favored 'General case' 0 C--N 1.367 1.363 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -74.67 113.67 12.21 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 124.371 1.068 . . . . 0.0 110.627 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.676 ' HG3' ' H ' ' A' ' 49' ' ' GLN . 2.2 ptp180 -89.96 126.34 35.7 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 175.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -80.99 83.34 6.73 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 102.434 -3.173 . . . . 0.0 102.434 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.386 7.2 tpt180 22.36 72.39 0.02 OUTLIER 'General case' 0 C--N 1.372 1.558 0 C-N-CA 130.748 3.619 . . . . 0.0 113.544 -173.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.676 ' H ' ' HG3' ' A' ' 46' ' ' ARG 0.278 23.9 mm100 70.4 85.92 0.13 Allowed 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.406 3.082 . . . . 0.0 108.434 -179.07 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 . . . . . 0 C--O 1.26 1.652 0 C-N-CA 127.044 2.138 . . . . 0.0 106.828 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.576 0 O4'-C1'-N19 110.943 2.743 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.828 0 O4'-C1'-N19 111.357 3.157 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.857 0 O4'-C1'-N19 112.185 3.985 . 0.926 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.547 0 O4'-C1'-N19 110.881 2.681 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.927 1 O4'-C1'-N19 113.123 4.923 . 0.628 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.408 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.555 3.452 1 O4'-C1'-N19 113.697 5.497 . 0.729 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.43 " H3'" HH22 ' A' ' 41' ' ' ARG . . . . . . . . 0 C5'--C4' 1.557 3.584 1 O4'-C1'-N19 112.328 4.128 . 0.901 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.573 4.503 1 O4'-C1'-N19 112.385 4.185 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.034 0 P-O3'-C3' 123.568 3.223 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.409 1 P-O3'-C3' 127.446 6.455 . 0.03 6j . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.728 1 O4'-C1'-N19 112.78 4.58 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.633 1 O4'-C1'-N19 112.335 4.135 . 0.315 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.834 0 P-O3'-C3' 123.091 2.826 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . 0.407 " H1'" ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.385 1 P-O3'-C3' 126.834 5.945 . 0.277 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.572 1 P-O3'-C3' 125.375 4.729 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.905 0 O4'-C1'-N19 111.951 3.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.407 ' C5 ' " H1'" ' B' ' 14' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.623 0 P-O3'-C3' 123.881 3.485 . 0.798 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.809 2 O4'-C1'-N19 117.418 9.218 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.236 1 O4'-C1'-N19 112.202 4.002 . 0.684 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.18 2 C3'-C2'-C1' 105.567 4.519 OUTLIER-DELTA 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.376 0 P-O3'-C3' 124.153 3.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.877 0 O4'-C1'-N19 111.101 2.901 . 0.705 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.107 0 P-O3'-C3' 123.707 3.34 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.116 0 O4'-C1'-N19 111.748 3.548 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.713 0 P-O3'-C3' 123.094 2.829 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.902 1 O4'-C1'-N19 112.852 4.652 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.994 0 O4'-C1'-N19 111.935 3.735 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -109.76 98.55 7.86 Favored 'General case' 0 C--N 1.372 1.571 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.255 63.8 mt-30 55.09 77.72 0.2 Allowed 'General case' 0 C--N 1.369 1.452 0 C-N-CA 128.839 2.855 . . . . 0.0 110.637 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.1 -91.07 0.52 Allowed 'General case' 0 C--N 1.366 1.303 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.83 -67.83 0.96 Allowed 'General case' 0 C--N 1.37 1.464 0 N-CA-C 104.393 -2.447 . . . . 0.0 104.393 176.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.367 2.1 mmp_? 70.92 -84.8 0.03 OUTLIER 'General case' 0 C--N 1.382 1.989 0 C-N-CA 128.751 2.82 . . . . 0.0 108.93 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.543 HD21 ' HG2' ' A' ' 43' ' ' ARG . 8.1 p-10 -82.73 164.92 20.35 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 125.415 1.486 . . . . 0.0 109.983 176.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -71.18 -92.87 0.01 OUTLIER 'General case' 0 C--N 1.369 1.449 0 C-N-CA 125.903 1.681 . . . . 0.0 109.103 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -102.87 132.01 49.37 Favored 'General case' 0 C--N 1.368 1.393 0 C-N-CA 126.01 1.724 . . . . 0.0 106.921 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.543 ' HG2' HD21 ' A' ' 40' ' ' ASN . 57.0 mtp180 -86.01 95.74 9.61 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 105.461 -2.051 . . . . 0.0 105.461 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.5 ptt85 -149.18 150.18 32.22 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 127.489 2.316 . . . . 0.0 108.371 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -81.92 125.34 30.62 Favored 'General case' 0 C--N 1.368 1.397 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -99.06 118.76 36.54 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -79.54 86.92 5.15 Favored 'General case' 0 C--N 1.371 1.526 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.433 31.9 tpt85 19.49 78.76 0.01 OUTLIER 'General case' 0 C--N 1.373 1.607 0 C-N-CA 130.201 3.4 . . . . 0.0 113.946 -171.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 78.86 108.89 0.07 Allowed 'General case' 0 C--N 1.373 1.611 0 C-N-CA 129.042 2.937 . . . . 0.0 109.672 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 C--O 1.26 1.656 0 C-N-CA 126.937 2.095 . . . . 0.0 106.088 178.828 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.2 0 O4'-C1'-N19 110.616 2.416 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.118 0 O4'-C1'-N19 110.665 2.465 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.879 0 O4'-C1'-N19 111.989 3.789 . 0.913 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.928 0 O4'-C1'-N19 110.801 2.601 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.789 1 O4'-C1'-N19 112.661 4.461 . 0.779 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.856 1 O4'-C1'-N19 114.279 6.079 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.484 1 O4'-C1'-N19 112.518 4.318 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.575 4.746 1 P-O3'-C3' 126.168 5.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.049 0 O4'-C1'-N19 111.284 3.084 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.35 1 P-O3'-C3' 132.272 10.477 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 0 O4'-C1'-N19 111.236 3.036 . 0.876 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.122 0 P-O3'-C3' 122.677 2.481 . 0.423 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.03 0 P-O5'-C5' 116.284 -2.885 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.396 0 P-O3'-C3' 124.422 3.935 . 0.386 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.572 0 P-O5'-C5' 126.111 3.257 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.492 0 C3'-C2'-C1' 104.548 3.387 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.845 0 P-O3'-C3' 123.784 3.403 . 0.676 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.638 3 O4'-C1'-N19 113.863 5.663 . 0.694 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.847 1 O4'-C1'-N19 113.634 5.434 OUTLIER-EPSILON 0.087 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.623 2 P-O3'-C3' 134.434 12.278 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.0 0 O4'-C1'-N19 110.805 2.605 . 0.929 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . 0.436 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.698 0 O4'-C1'-N19 111.084 2.884 . 0.861 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.436 ' C8 ' " H2'" ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.784 0 P-O3'-C3' 122.89 2.658 . 0.894 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.428 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.448 2.86 0 O4'-C1'-N19 111.901 3.701 . 0.897 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.751 0 O4'-C1'-N19 110.987 2.787 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.063 1 O4'-C1'-N19 112.719 4.519 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.092 0 O4'-C1'-N19 111.829 3.629 . 0.904 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.5 2.027 0 CA-C-O 120.397 0.142 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 174.11 115.62 0.02 OUTLIER 'General case' 0 C--N 1.366 1.315 0 C-N-CA 129.193 2.997 . . . . 0.0 105.754 178.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -100.52 -57.79 2.04 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 125.92 1.688 . . . . 0.0 111.157 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.3 -110.61 0.31 Allowed 'General case' 0 C--N 1.375 1.675 0 C-N-CA 127.165 2.186 . . . . 0.0 107.905 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 155.21 40.82 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 128.569 2.748 . . . . 0.0 111.794 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.7 ttt-85 -76.63 -70.36 0.46 Allowed 'General case' 0 C--N 1.371 1.528 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -109.34 -79.35 0.58 Allowed 'General case' 0 C--N 1.374 1.666 0 C-N-CA 125.782 1.633 . . . . 0.0 106.7 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -149.57 120.21 7.51 Favored 'General case' 0 C--N 1.377 1.778 0 CA-C-N 119.873 1.215 . . . . 0.0 109.67 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -159.68 90.98 0.96 Allowed 'General case' 0 C--N 1.361 1.094 0 N-CA-C 102.703 -3.073 . . . . 0.0 102.703 176.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -114.99 -112.86 0.34 Allowed 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.1 mtt85 -42.08 147.21 0.24 Allowed 'General case' 0 C--N 1.355 0.813 0 C-N-CA 131.385 3.874 . . . . 0.0 112.388 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -75.65 127.96 34.18 Favored 'General case' 0 C--N 1.373 1.626 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 ttt85 -95.42 100.82 12.53 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 102.99 -2.967 . . . . 0.0 102.99 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.04 85.04 5.67 Favored 'General case' 0 C--N 1.377 1.801 0 N-CA-C 102.93 -2.989 . . . . 0.0 102.93 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.379 5.5 tpt180 4.89 72.5 0.0 OUTLIER 'General case' 0 C--N 1.368 1.388 0 C-N-CA 131.477 3.911 . . . . 0.0 114.893 -173.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -124.78 86.43 2.56 Favored 'General case' 0 C--N 1.37 1.482 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 C--O 1.262 1.711 0 C-N-CA 126.222 1.809 . . . . 0.0 108.063 179.657 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.36 0 O4'-C1'-N19 110.449 2.249 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.71 0 OP1-P-OP2 116.238 -2.241 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.701 0 O4'-C1'-N19 112.134 3.934 . 0.925 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.127 0 O4'-C1'-N19 111.218 3.018 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.947 1 O4'-C1'-N19 113.514 5.314 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.753 1 O4'-C1'-N19 113.366 5.166 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.009 1 O4'-C1'-N19 112.876 4.676 . 0.803 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.564 3.637 0 C1'-O4'-C4' 106.85 -3.056 OUTLIER-DELTA 0.232 5j . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.332 1 P-O3'-C3' 131.281 9.651 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.553 2.486 0 O4'-C1'-N19 111.5 3.3 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 P-O3'-C3' 123.216 2.93 . 0.673 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.684 0 O4'-C1'-N19 111.006 2.806 . 0.102 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.486 0 O4'-C1'-N19 105.309 -2.891 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.651 1 P-O3'-C3' 125.928 5.19 . 0.083 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.484 1 P-O3'-C3' 125.341 4.7 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.201 0 C3'-C2'-C1' 104.953 3.836 . 0.328 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.365 0 P-O5'-C5' 124.351 2.157 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.569 1 O4'-C1'-N19 113.969 5.769 . 0.402 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.713 2 O4'-C1'-N19 113.421 5.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.068 1 C3'-C2'-C1' 105.86 4.844 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.761 0 P-O3'-C3' 122.943 2.703 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.292 0 P-O3'-C3' 123.525 3.187 . 0.699 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 0 P-O3'-C3' 122.56 2.384 . 0.895 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 O4'-C1'-N19 112.403 4.203 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.709 0 O4'-C1'-N19 111.641 3.441 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.99 1 O4'-C1'-N19 112.901 4.701 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.908 0 O4'-C1'-N19 111.907 3.707 . 0.912 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.343 98.7 mtt180 -51.08 -42.01 60.32 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 117.539 2.422 . . . . 0.0 117.539 -178.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -107.33 105.79 15.9 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 127.694 2.398 . . . . 0.0 106.893 177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.61 73.82 0.65 Allowed 'General case' 0 C--N 1.368 1.399 0 C-N-CA 126.418 1.887 . . . . 0.0 106.201 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.425 HH21 ' HA ' ' A' ' 41' ' ' ARG 0.305 8.8 ttp180 51.88 93.98 0.02 OUTLIER 'General case' 0 C--N 1.375 1.688 0 C-N-CA 130.607 3.563 . . . . 0.0 110.818 -176.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -63.13 1.42 Allowed 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.433 1.893 . . . . 0.0 113.074 -176.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -72.7 119.93 17.61 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 124.801 1.24 . . . . 0.0 107.956 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' HA ' HH21 ' A' ' 38' ' ' ARG . 66.0 mtp180 -102.66 -115.48 0.2 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 125.539 1.535 . . . . 0.0 110.268 -176.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -103.87 156.86 17.5 Favored 'General case' 0 C--N 1.37 1.46 0 C-N-CA 128.119 2.568 . . . . 0.0 110.691 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -95.67 97.22 9.56 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 102.901 -3.0 . . . . 0.0 102.901 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -119.24 134.3 55.28 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.485 1.914 . . . . 0.0 108.062 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -79.85 127.56 32.39 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 124.831 1.252 . . . . 0.0 108.352 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -87.21 112.95 22.51 Favored 'General case' 0 C--N 1.36 1.06 0 N-CA-C 102.285 -3.228 . . . . 0.0 102.285 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -89.8 65.18 6.68 Favored 'General case' 0 C--N 1.368 1.402 0 N-CA-C 103.048 -2.945 . . . . 0.0 103.048 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.404 7.0 tpt180 16.31 70.72 0.01 OUTLIER 'General case' 0 C--N 1.371 1.515 0 C-N-CA 131.516 3.926 . . . . 0.0 114.572 -173.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -166.61 112.37 0.81 Allowed 'General case' 0 C--N 1.369 1.449 0 C-N-CA 128.896 2.879 . . . . 0.0 104.758 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 . . . . . 0 C--O 1.262 1.754 0 C-N-CA 131.461 3.904 . . . . 0.0 115.095 -179.18 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.245 0 O4'-C1'-N19 110.53 2.33 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.965 0 O4'-C1'-N19 111.274 3.074 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.793 1 O4'-C1'-N19 112.925 4.725 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.806 0 O4'-C1'-N19 111.658 3.458 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 1 O4'-C1'-N19 113.144 4.944 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.048 1 O4'-C1'-N19 113.721 5.521 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.194 1 O4'-C1'-N19 112.702 4.502 . 0.687 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.56 3.238 0 C4'-C3'-C2' 106.088 3.388 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.202 0 C1'-O4'-C4' 107.024 -2.863 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 O4'-C1'-N19 110.835 2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.45 0 P-O3'-C3' 123.983 3.569 . 0.58 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.758 0 N19-C1'-C2' 118.688 3.305 . 0.658 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.807 1 P-O3'-C3' 124.87 4.308 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.764 1 P-O3'-C3' 125.139 4.532 . 0.786 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 O4'-C1'-N19 111.55 3.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.837 0 C3'-C2'-C1' 104.841 3.712 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.545 1.948 0 O4'-C1'-C2' 102.324 -2.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.157 1 O4'-C1'-N19 114.661 6.461 . 0.101 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.069 1 O4'-C1'-N19 112.637 4.437 . 0.652 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.288 2 P-O3'-C3' 125.481 4.818 . 0.472 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.833 0 O4'-C1'-N19 110.503 2.303 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . 0.47 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.76 0 P-O3'-C3' 122.727 2.523 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.476 " H2'" ' C6 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.965 0 P-O3'-C3' 123.743 3.369 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.476 ' C6 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.549 2.996 0 O4'-C1'-N19 112.092 3.892 . 0.875 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.738 0 O4'-C1'-N19 111.166 2.966 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 1 O4'-C1'-N19 112.669 4.469 . 0.932 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.958 0 O4'-C1'-N19 111.819 3.619 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.8 m . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.253 1.8 tmm_? 74.32 102.88 0.07 Allowed 'General case' 0 C--N 1.371 1.514 0 C-N-CA 129.241 3.017 . . . . 0.0 109.852 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.251 0.9 OUTLIER 37.7 88.92 0.01 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 130.78 3.632 . . . . 0.0 115.033 179.566 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.98 -74.87 0.59 Allowed 'General case' 0 C--N 1.365 1.242 0 N-CA-C 104.593 -2.373 . . . . 0.0 104.593 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -85.9 -66.39 0.91 Allowed 'General case' 0 C--N 1.373 1.615 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.285 2.6 tpp180 72.97 120.72 0.04 OUTLIER 'General case' 0 C--N 1.376 1.724 0 C-N-CA 129.84 3.256 . . . . 0.0 110.083 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 69.9 92.45 0.08 Allowed 'General case' 0 C--N 1.382 1.98 0 C-N-CA 127.725 2.41 . . . . 0.0 107.051 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.8 mtp-105 -85.55 -145.48 0.1 Allowed 'General case' 0 C--N 1.366 1.287 0 C-N-CA 126.407 1.883 . . . . 0.0 111.248 -177.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.35 147.0 53.52 Favored 'General case' 0 C--N 1.37 1.47 0 C-N-CA 129.152 2.981 . . . . 0.0 111.862 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -97.58 100.81 12.23 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 102.095 -3.298 . . . . 0.0 102.095 177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttt-85 -136.79 115.31 11.92 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.323 2.249 . . . . 0.0 104.984 -178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -80.83 111.32 17.18 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -80.82 118.67 22.54 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.66 80.46 9.0 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 100.988 -3.708 . . . . 0.0 100.988 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.361 5.6 tpt180 22.95 67.83 0.03 OUTLIER 'General case' 0 C--N 1.371 1.525 0 C-N-CA 130.166 3.386 . . . . 0.0 113.462 -172.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -157.4 100.23 1.8 Allowed 'General case' 0 C--N 1.37 1.465 0 C-N-CA 127.405 2.282 . . . . 0.0 105.454 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? . . . . . 0 C--O 1.261 1.688 0 C-N-CA 127.606 2.362 . . . . 0.0 110.801 -177.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.244 0 O4'-C1'-N19 111.039 2.839 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.578 0 O4'-C1'-N19 111.08 2.88 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.816 1 O4'-C1'-N19 112.86 4.66 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.774 0 O4'-C1'-N19 111.027 2.827 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.766 0 O4'-C1'-N19 112.194 3.994 . 0.946 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.467 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.793 1 O4'-C1'-N19 114.028 5.828 . 0.838 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.467 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.554 3.389 1 O4'-C1'-N19 113.892 5.692 . 0.942 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.57 4.217 0 O4'-C1'-N19 111.827 3.627 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.405 1 P-O3'-C3' 125.208 4.59 OUTLIER-EPSILON 0.013 1e . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.13 2 P-O3'-C3' 134.605 12.421 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.562 3.451 2 O4'-C1'-N19 116.686 8.486 . 0.567 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.56 3.864 1 P-O3'-C3' 126.962 6.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.255 1 P-O3'-C3' 124.889 4.324 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.302 1 P-O3'-C3' 135.954 13.545 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 2.478 0 P-O3'-C3' 123.951 3.542 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 2 O4'-C1'-N19 112.414 4.214 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.751 1 P-O3'-C3' 124.643 4.119 . 0.863 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.615 1 O4'-C1'-N19 112.613 4.413 . 0.438 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.842 1 O4'-C1'-N19 113.043 4.843 . 0.543 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 2.698 2 P-O3'-C3' 124.904 4.337 OUTLIER-DELTA 0.075 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.599 0 P-O3'-C3' 123.565 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.398 0 P-O3'-C3' 123.499 3.166 . 0.537 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.771 0 P-O3'-C3' 123.315 3.012 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.98 1 O4'-C1'-N19 112.796 4.596 . 0.92 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.66 0 O4'-C1'-N19 110.984 2.784 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.877 1 O4'-C1'-N19 112.569 4.369 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 0 O4'-C1'-N19 111.923 3.723 . 0.908 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.542 0.687 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.298 7.6 ptm85 -88.41 -145.42 0.14 Allowed 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 129.54 3.136 . . . . 0.0 106.747 179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -83.58 86.3 7.13 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 127.408 2.283 . . . . 0.0 107.629 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.68 -75.4 0.63 Allowed 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.369 2.268 . . . . 0.0 107.069 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -88.65 123.21 32.89 Favored 'General case' 0 C--N 1.373 1.624 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . 0.26 1.6 tpp180 -70.78 -74.56 0.14 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 125.752 1.621 . . . . 0.0 110.408 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -87.35 91.83 8.86 Favored 'General case' 0 C--N 1.374 1.661 0 C-N-CA 125.28 1.432 . . . . 0.0 109.264 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.9 mtt85 -85.66 -65.38 1.02 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.881 1.272 . . . . 0.0 107.843 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.5 HH12 " H3'" ' B' ' 10' ' ' ' G' . 0.4 OUTLIER -81.82 122.92 28.32 Favored 'General case' 0 C--N 1.371 1.52 0 C-N-CA 125.619 1.568 . . . . 0.0 111.924 -179.249 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -114.18 82.12 1.65 Allowed 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 100.489 -3.893 . . . . 0.0 100.489 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -143.15 143.8 31.95 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 126.528 1.931 . . . . 0.0 110.324 -175.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -82.18 121.91 27.22 Favored 'General case' 0 C--N 1.373 1.625 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 174.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -86.52 108.7 18.67 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -84.64 74.45 10.42 Favored 'General case' 0 C--N 1.372 1.556 0 N-CA-C 104.975 -2.231 . . . . 0.0 104.975 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 28.11 57.48 0.1 Allowed 'General case' 0 C--N 1.373 1.597 0 C-N-CA 130.256 3.422 . . . . 0.0 112.538 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 129.29 119.91 0.0 OUTLIER 'General case' 0 C--N 1.375 1.713 1 C-N-CA 132.718 4.407 . . . . 0.0 104.943 -177.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 . . . . . 0 C--O 1.261 1.685 0 C-N-CA 128.069 2.548 . . . . 0.0 110.601 179.749 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.359 0 O4'-C1'-N19 110.974 2.774 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.798 0 O4'-C1'-N19 112.107 3.907 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.88 1 O4'-C1'-N19 113.06 4.86 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.836 0 O4'-C1'-N19 111.756 3.556 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.977 1 O4'-C1'-N19 113.066 4.866 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.784 1 O4'-C1'-N19 113.812 5.612 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.504 " H3'" " C5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.556 3.502 1 O4'-C1'-N19 113.076 4.876 . 0.707 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.504 " C5'" " H3'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.566 3.797 0 O5'-C5'-C4' 114.233 2.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.754 1 P-O3'-C3' 125.819 5.1 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . 0.5 " H3'" HH12 ' A' ' 42' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 2.497 1 O4'-C1'-N19 112.519 4.319 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . 0.479 ' H62' ' HB2' ' A' ' 42' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.308 1 O4'-C1'-N19 112.431 4.231 . 0.278 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.491 0 O4'-C1'-N19 111.162 2.962 . 0.422 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.447 " H4'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.368 0 C4'-C3'-C2' 105.058 2.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.618 0 C3'-C2'-C1' 104.315 3.128 . 0.031 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.558 2.952 0 P-O3'-C3' 124.478 3.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.157 0 O4'-C1'-N19 111.266 3.066 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.447 ' H22' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.33 1 P-O3'-C3' 125.3 4.667 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.481 1 O4'-C1'-N19 114.22 6.02 . 0.571 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.559 3.116 2 O4'-C1'-N19 112.792 4.592 OUTLIER-DELTA 0.341 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.596 0 O4'-C1'-N19 111.845 3.645 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . 0.455 " H2'" ' H8 ' ' B' ' 22' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.588 1 P-O3'-C3' 125.297 4.664 . 0.397 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . 0.455 ' H8 ' " H2'" ' B' ' 21' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.871 0 O5'-C5'-C4' 113.756 2.54 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.932 0 O4'-C1'-N19 111.081 2.881 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.95 1 O4'-C1'-N19 112.419 4.219 . 0.916 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.563 0 O4'-C1'-N19 111.564 3.364 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.827 1 O4'-C1'-N19 112.69 4.49 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.86 0 O4'-C1'-N19 111.874 3.674 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 123.07 1.414 . . . . 0.0 113.782 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -79.93 -49.69 11.52 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 129.239 3.016 . . . . 0.0 112.905 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.76 145.91 17.52 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 130.673 3.589 . . . . 0.0 108.647 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -100.26 -73.25 0.64 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.363 1.865 . . . . 0.0 107.667 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -85.66 130.83 34.47 Favored 'General case' 0 C--N 1.373 1.623 0 C-N-CA 126.026 1.731 . . . . 0.0 108.324 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.578 ' HD2' ' H ' ' A' ' 40' ' ' ASN 0.329 0.1 OUTLIER -82.81 -92.22 0.07 Allowed 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.746 1.619 . . . . 0.0 109.216 -179.946 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.578 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 32.9 m120 -69.44 121.34 16.78 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 127.079 2.152 . . . . 0.0 109.97 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -131.71 -84.19 0.5 Allowed 'General case' 0 C--N 1.362 1.146 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -91.4 114.26 26.74 Favored 'General case' 0 C--N 1.375 1.697 0 C-N-CA 126.044 1.738 . . . . 0.0 109.134 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -119.5 91.57 3.58 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 103.338 -2.838 . . . . 0.0 103.338 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -144.93 152.16 39.79 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 126.959 2.104 . . . . 0.0 110.62 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -67.72 124.87 24.48 Favored 'General case' 0 C--N 1.379 1.866 0 C-N-CA 124.56 1.144 . . . . 0.0 108.61 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -99.76 121.13 40.8 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 102.945 -2.983 . . . . 0.0 102.945 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -82.28 75.94 9.18 Favored 'General case' 0 C--N 1.371 1.525 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 46.11 33.13 1.61 Allowed 'General case' 0 C--N 1.368 1.387 0 C-N-CA 128.858 2.863 . . . . 0.0 114.841 -177.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.351 1.4 pm0 143.88 127.88 0.0 OUTLIER 'General case' 0 C--N 1.373 1.589 1 C-N-CA 133.142 4.577 . . . . 0.0 105.8 179.539 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 . . . . . 0 C--O 1.26 1.618 0 CA-C-O 117.188 -1.386 . . . . 0.0 108.494 179.498 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 0 O4'-C1'-N19 111.421 3.221 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.45 " H2'" ' C6 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.549 2.984 0 P-O3'-C3' 123.838 3.449 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.45 ' C6 ' " H2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.547 2.85 2 O4'-C1'-N19 113.116 4.916 . 0.856 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.729 0 O4'-C1'-N19 110.573 2.373 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.022 0 O4'-C1'-N19 111.831 3.631 . 0.9 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.414 ' C5 ' ' C5 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.545 2.686 1 O4'-C1'-N19 113.43 5.23 . 0.852 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.414 ' C5 ' ' C5 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.742 1 O4'-C1'-N19 112.466 4.266 . 0.848 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.562 3.353 0 C4'-C3'-C2' 105.816 3.116 OUTLIER-DELTA 0.127 5j . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.298 1 P-O3'-C3' 124.535 4.029 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 0 O4'-C1'-N19 111.188 2.988 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.743 1 P-O3'-C3' 124.996 4.413 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.352 0 P-O3'-C3' 123.284 2.986 . 0.415 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.453 " H4'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.443 2.427 0 C3'-C2'-C1' 104.72 3.578 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.732 1 P-O3'-C3' 124.697 4.164 . 0.491 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.367 1 P-O3'-C3' 125.699 4.999 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.177 1 C3'-C2'-C1' 105.384 4.315 . 0.474 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.453 ' H22' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.548 2.92 0 P-O3'-C3' 124.37 3.891 . 0.206 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.55 2 O4'-C1'-N19 117.074 8.874 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.568 3.929 1 N19-C1'-C2' 120.432 4.395 . 0.064 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.555 2.695 2 O4'-C1'-N19 112.547 4.347 OUTLIER-DELTA 0.736 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.78 0 O4'-C1'-N19 112.136 3.936 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.158 0 P-O3'-C3' 124.365 3.888 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.002 0 O4'-C1'-N19 111.093 2.893 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.268 0 O4'-C1'-N19 111.861 3.661 . 0.916 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.721 0 O4'-C1'-N19 111.212 3.012 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . 0.461 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.032 1 O4'-C1'-N19 112.535 4.335 . 0.894 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.461 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.093 0 O4'-C1'-N19 111.839 3.639 . 0.904 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.3 p . . . . . 0 N--CA 1.501 2.079 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -78.82 125.13 28.96 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 128.851 2.861 . . . . 0.0 107.135 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . 0.293 29.1 mt-30 74.58 -64.05 0.4 Allowed 'General case' 0 C--N 1.346 0.449 1 C-N-CA 131.822 4.049 . . . . 0.0 109.656 -178.564 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . 0.263 . . 68.17 -99.12 0.04 OUTLIER 'General case' 0 C--N 1.375 1.703 0 C-N-CA 128.334 2.654 . . . . 0.0 108.065 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' HB2' ' H41' ' B' ' 6' ' ' ' C' . 17.5 tpt85 -132.49 106.49 7.88 Favored 'General case' 0 C--N 1.366 1.314 0 N-CA-C 103.719 -2.696 . . . . 0.0 103.719 177.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HD3' ' H ' ' A' ' 39' ' ' ARG 0.261 0.0 OUTLIER -71.98 -52.48 16.9 Favored 'General case' 0 C--N 1.362 1.112 0 C-N-CA 126.123 1.769 . . . . 0.0 111.988 -178.751 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -77.74 106.29 9.47 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 125.701 1.6 . . . . 0.0 107.318 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -97.04 161.37 13.86 Favored 'General case' 0 C--N 1.366 1.284 0 C-N-CA 126.449 1.9 . . . . 0.0 110.679 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HD3' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -61.92 159.45 14.05 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 127.653 2.381 . . . . 0.0 113.727 -178.208 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -92.71 125.43 37.32 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HB3' HH11 ' A' ' 44' ' ' ARG . 8.3 ttp-105 -166.98 141.05 3.82 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.998 2.119 . . . . 0.0 108.403 -177.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -80.23 121.67 25.91 Favored 'General case' 0 C--N 1.373 1.59 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -93.1 106.7 18.62 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 101.845 -3.391 . . . . 0.0 101.845 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -83.17 80.29 9.11 Favored 'General case' 0 C--N 1.374 1.673 0 N-CA-C 103.005 -2.961 . . . . 0.0 103.005 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.255 13.3 tpt180 13.71 71.37 0.01 OUTLIER 'General case' 0 C--N 1.374 1.64 0 C-N-CA 131.19 3.796 . . . . 0.0 112.708 -174.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -87.2 56.72 4.11 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 126.502 1.921 . . . . 0.0 112.387 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 . . . . . 0 C--O 1.262 1.754 0 C-N-CA 126.185 1.794 . . . . 0.0 107.668 178.793 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.059 0 O4'-C1'-N19 110.717 2.517 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.651 0 O4'-C1'-N19 111.75 3.55 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.061 1 O4'-C1'-N19 113.385 5.185 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 5' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.551 3.133 0 P-O3'-C3' 123.654 3.295 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.147 1 O4'-C1'-N19 112.673 4.473 . 0.707 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.41 ' H41' ' HB2' ' A' ' 38' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.325 1 O4'-C1'-N19 112.519 4.319 . 0.863 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.842 1 O4'-C1'-N19 112.805 4.605 . 0.634 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.58 5.184 0 P-O3'-C3' 124.343 3.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.784 0 P-O3'-C3' 123.986 3.572 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.557 2.86 0 P-O3'-C3' 123.842 3.451 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.666 0 O4'-C1'-N19 111.668 3.468 . 0.407 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . 0.619 " H1'" ' H61' ' B' ' 18' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.562 3.973 0 O4'-C1'-N19 111.3 3.1 . 0.183 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.442 ' C5 ' " H2'" ' B' ' 12' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.807 1 P-O3'-C3' 124.543 4.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.727 1 P-O3'-C3' 124.713 4.177 . 0.776 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.757 1 P-O3'-C3' 124.816 4.264 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.116 1 O4'-C1'-N19 112.414 4.214 . 0.088 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.953 0 N19-C1'-C2' 117.483 2.552 . 0.109 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . 0.619 ' H61' " H1'" ' B' ' 12' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.712 1 O4'-C1'-N19 112.383 4.183 . 0.313 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.995 1 O4'-C1'-N19 112.787 4.587 . 0.485 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.308 1 O4'-C1'-N19 113.159 4.959 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.943 0 O4'-C1'-N19 111.067 2.867 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.018 0 O5'-C5'-C4' 114.548 3.106 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.103 0 P-O3'-C3' 122.88 2.65 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.292 0 O4'-C1'-N19 112.163 3.963 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.94 0 O4'-C1'-N19 111.246 3.046 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.055 1 O4'-C1'-N19 112.848 4.648 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 0 O4'-C1'-N19 112.055 3.855 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 121.158 0.504 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.264 43.2 ttm-85 -74.93 -53.11 9.58 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 124.859 1.264 . . . . 0.0 111.844 179.156 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -158.52 114.14 2.65 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 129.872 3.269 . . . . 0.0 106.276 176.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.1 -74.86 0.6 Allowed 'General case' 0 C--N 1.369 1.446 0 C-N-CA 126.117 1.767 . . . . 0.0 107.436 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -109.73 117.28 33.48 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.986 2.114 . . . . 0.0 106.248 179.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -79.28 0.14 Allowed 'General case' 0 C--N 1.367 1.365 0 C-N-CA 126.36 1.864 . . . . 0.0 110.526 -177.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -78.36 117.64 19.78 Favored 'General case' 0 C--N 1.375 1.701 0 C-N-CA 125.123 1.369 . . . . 0.0 108.186 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -140.95 -58.46 0.5 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 125.389 1.475 . . . . 0.0 109.957 -178.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -62.04 130.17 44.28 Favored 'General case' 0 C--N 1.372 1.582 0 C-N-CA 126.308 1.843 . . . . 0.0 113.534 -178.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -133.78 82.84 2.0 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 102.823 -3.028 . . . . 0.0 102.823 177.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -160.09 150.01 18.2 Favored 'General case' 0 C--N 1.368 1.381 0 C-N-CA 126.669 1.988 . . . . 0.0 109.587 -178.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -74.45 134.17 42.35 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 125.219 1.408 . . . . 0.0 109.423 178.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -93.55 105.1 17.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 128.61 2.764 . . . . 0.0 103.634 177.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -81.81 84.89 6.74 Favored 'General case' 0 C--N 1.372 1.584 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 178.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.265 17.6 tpt180 19.53 72.6 0.02 OUTLIER 'General case' 0 C--N 1.368 1.402 1 C-N-CA 131.73 4.012 . . . . 0.0 114.417 -176.439 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.334 35.2 tt0 97.59 123.86 0.01 OUTLIER 'General case' 0 C--N 1.375 1.712 0 C-N-CA 129.198 2.999 . . . . 0.0 110.899 179.059 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 . . . . . 0 C--O 1.26 1.652 0 C-N-CA 129.077 2.951 . . . . 0.0 110.992 179.347 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 O4'-C1'-N19 110.532 2.332 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.692 0 P-O3'-C3' 123.238 2.948 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.862 1 O4'-C1'-N19 112.298 4.098 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.763 0 O4'-C1'-N19 110.991 2.791 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.114 1 O4'-C1'-N19 112.59 4.39 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.503 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.547 2.827 1 O4'-C1'-N19 113.602 5.402 . 0.712 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.503 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.553 3.311 0 O4'-C1'-N19 111.862 3.662 . 0.398 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 1 P-O3'-C3' 124.667 4.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.218 1 P-O3'-C3' 129.527 8.189 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.552 2.404 1 P-O3'-C3' 125.348 4.707 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.5 0 O4'-C1'-N19 111.259 3.059 . 0.327 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.721 0 O4'-C1'-N19 111.488 3.288 . 0.274 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.447 " H4'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.395 0 C3'-C2'-C1' 103.56 2.289 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.671 0 C3'-C2'-C1' 104.159 2.955 . 0.095 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 2.671 1 P-O3'-C3' 125.918 5.182 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.81 1 C3'-C2'-C1' 105.213 4.126 . 0.243 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.447 ' H22' " H4'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.27 1 P-O3'-C3' 125.087 4.489 . 0.303 0b . 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.299 1 O4'-C1'-N19 115.132 6.932 . 0.621 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.901 1 O4'-C1'-N19 112.72 4.52 . 0.657 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.556 2.791 1 P-O3'-C3' 124.572 4.06 . 0.397 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.865 0 O4'-C1'-N19 110.887 2.687 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.349 0 P-O3'-C3' 124.02 3.6 . 0.541 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.991 0 P-O3'-C3' 122.848 2.623 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.171 0 P-O3'-C3' 124.324 3.854 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.821 0 P-O3'-C3' 122.554 2.379 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . 0.444 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.004 0 O4'-C1'-N19 111.908 3.708 . 0.922 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.444 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.904 0 O4'-C1'-N19 111.762 3.562 . 0.903 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.493 1.704 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? 49.13 87.52 0.02 OUTLIER 'General case' 0 C--N 1.375 1.704 0 C-N-CA 129.582 3.153 . . . . 0.0 112.256 179.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -94.27 100.45 12.5 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 125.335 1.454 . . . . 0.0 109.077 -178.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -124.41 74.45 1.32 Allowed 'General case' 0 C--N 1.367 1.365 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 177.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 66.01 128.42 0.02 OUTLIER 'General case' 0 C--N 1.369 1.435 0 C-N-CA 129.228 3.011 . . . . 0.0 111.812 -177.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' H ' ' HD2' ' A' ' 39' ' ' ARG 0.278 0.0 OUTLIER -94.48 -75.43 0.51 Allowed 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.441 1.896 . . . . 0.0 109.685 -178.897 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -49.03 -61.91 1.81 Allowed 'General case' 0 C--N 1.374 1.662 0 C-N-CA 128.388 2.675 . . . . 0.0 115.794 -177.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.448 ' HE ' ' H ' ' A' ' 42' ' ' ARG . 4.3 mmm-85 76.65 160.9 0.22 Allowed 'General case' 0 C--N 1.374 1.647 0 C-N-CA 127.767 2.427 . . . . 0.0 114.278 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' H ' ' HE ' ' A' ' 41' ' ' ARG . 26.0 ttp-105 -65.3 154.36 38.45 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 130.118 3.367 . . . . 0.0 111.57 179.579 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -96.4 130.23 43.58 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -167.95 124.54 1.09 Allowed 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.864 2.466 . . . . 0.0 105.639 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -67.72 121.85 16.83 Favored 'General case' 0 C--N 1.381 1.976 0 CA-C-O 122.21 1.005 . . . . 0.0 109.079 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -91.9 113.66 25.98 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 178.189 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -84.35 77.49 9.98 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 102.772 -3.048 . . . . 0.0 102.772 177.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.357 4.8 tpm_? 15.02 72.38 0.01 OUTLIER 'General case' 0 C--N 1.375 1.71 1 C-N-CA 131.87 4.068 . . . . 0.0 112.733 -173.977 . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -94.1 70.38 3.88 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 127.952 2.501 . . . . 0.0 107.986 -177.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.537 HH21 ' H3 ' ' B' ' 13' ' ' ' U' 0.256 11.5 ptp85 . . . . . 0 C--O 1.261 1.69 0 C-N-CA 125.901 1.68 . . . . 0.0 109.716 179.169 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.284 0 O4'-C1'-N19 110.663 2.463 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.858 0 O4'-C1'-N19 111.734 3.534 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . 0.655 ' H3 ' ' H61' ' B' ' 25' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.72 1 O4'-C1'-N19 113.577 5.377 . 0.815 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.144 0 O4'-C1'-N19 111.735 3.535 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.158 1 O4'-C1'-N19 113.115 4.915 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ' C' . . . . . 0.517 ' C4 ' ' C4 ' ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.546 2.803 1 O4'-C1'-N19 114.168 5.968 . 0.753 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . 0.517 ' C4 ' ' C4 ' ' B' ' 6' ' ' ' C' . . . . . . . . 1 C5'--C4' 1.566 4.327 1 O4'-C1'-N19 113.578 5.378 . 0.434 1b . 0.0 . . . . . . . . . . 3 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.569 4.12 1 P-O3'-C3' 125.924 5.187 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.557 3.585 1 P-O3'-C3' 127.496 6.496 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.978 1 C3'-C2'-C1' 106.709 5.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.016 1 O4'-C1'-N19 112.409 4.209 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.404 0 O4'-C1'-N19 111.353 3.153 . 0.638 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.537 ' H3 ' HH21 ' A' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.551 3.116 1 P-O3'-C3' 124.881 4.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.844 1 P-O3'-C3' 125.41 4.758 . 0.016 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 2.522 1 P-O3'-C3' 125.821 5.101 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.559 3.772 1 O4'-C1'-N19 112.564 4.364 . 0.061 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.559 1 P-O3'-C3' 125.021 4.434 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.896 1 O4'-C1'-N19 112.951 4.751 . 0.555 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.944 0 O4'-C1'-N19 111.982 3.782 . 0.84 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.915 1 O4'-C1'-N19 112.281 4.081 . 0.332 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.985 0 P-O3'-C3' 122.342 2.202 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 O4'-C1'-N19 111.108 2.908 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.939 0 O4'-C1'-N19 110.788 2.588 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 0 O4'-C1'-N19 112.121 3.921 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ' A' . . . . . 0.655 ' H61' ' H3 ' ' B' ' 3' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.634 0 O4'-C1'-N19 111.839 3.639 . 0.736 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' ' C' . . . . . 0.412 " H2'" ' C6 ' ' B' ' 27' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.097 1 O4'-C1'-N19 112.709 4.509 . 0.897 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.412 ' C6 ' " H2'" ' B' ' 26' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 2.987 0 O4'-C1'-N19 112.035 3.835 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_