data_2ms1_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 2ms1 _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 ' 25' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 t -109.32 130.98 55.48 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.843 1.657 . . . . 0.0 111.925 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.23 67.67 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -76.0 -46.3 30.2 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.54 -3.79 10.37 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.8 mppt? 69.38 5.78 5.33 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.705 2.002 . . . . 0.0 115.724 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -68.52 179.06 1.79 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.897 0.879 . . . . 0.0 111.158 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -127.44 163.65 23.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.775 1.23 . . . . 0.0 113.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.65 -3.93 78.85 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.674 1.607 . . . . 0.0 114.094 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -156.21 170.84 21.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.57 1.948 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -114.72 167.92 10.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.08 1.752 . . . . 0.0 110.093 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.46 -38.56 30.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.919 0.887 . . . . 0.0 113.214 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -54.59 -18.55 4.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.524 1.93 . . . . 0.0 114.664 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -132.5 15.88 4.45 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.737 2.015 . . . . 0.0 112.944 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.21 128.26 72.16 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--N 1.355 0.917 0 C-N-CA 123.009 2.473 . . . . 0.0 113.418 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.34 133.7 34.01 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.233 1.413 . . . . 0.0 113.891 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.19 60.76 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -92.47 -40.61 10.74 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.46 -6.84 7.54 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.328 55.4 mttm 67.94 9.51 7.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.111 2.164 . . . . 0.0 115.961 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.44 174.78 3.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 0.0 110.481 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -117.63 160.5 21.19 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.71 67.73 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 126.004 1.764 . . . . 0.0 114.754 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -156.79 175.91 13.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.719 1.608 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -116.45 164.88 13.91 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.591 1.956 . . . . 0.0 109.426 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.37 49.64 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 112.807 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -53.55 -20.38 4.94 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.903 2.081 . . . . 0.0 114.344 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -131.28 16.45 5.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.887 2.075 . . . . 0.0 113.168 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -55.64 126.18 63.26 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo . . . . . 0 C--N 1.356 0.942 0 C-N-CA 123.308 2.672 . . . . 0.0 114.497 176.732 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -88.05 131.15 34.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.792 1.237 . . . . 0.0 112.734 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.79 -16.26 61.63 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -99.9 -30.73 11.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.59 -5.97 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.8 mptt 66.14 8.64 5.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.072 2.149 . . . . 0.0 115.554 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.74 175.2 4.41 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.828 0.851 . . . . 0.0 110.347 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -121.79 164.37 17.57 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.08 -2.59 72.01 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.846 1.689 . . . . 0.0 114.136 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -156.33 172.89 17.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.28 1.832 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -113.4 167.33 10.67 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.237 1.815 . . . . 0.0 109.233 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.83 -34.47 27.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.16 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -57.63 -17.17 13.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.164 2.186 . . . . 0.0 113.635 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -132.16 15.88 4.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.248 2.219 . . . . 0.0 112.185 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.5 t -56.14 125.7 65.0 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.354 0.84 0 C-N-CA 122.957 2.438 . . . . 0.0 113.232 -179.654 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.5 t -94.63 128.17 41.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.746 1.218 . . . . 0.0 112.748 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.71 -4.0 37.91 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -109.23 -29.38 8.53 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.58 -4.04 3.73 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.6 mttp 71.61 4.91 5.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.951 2.1 . . . . 0.0 115.363 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.48 161.26 12.13 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.579 1.081 . . . . 0.0 111.461 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.13 134.67 54.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.364 1.465 . . . . 0.0 110.424 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.15 -5.05 18.07 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.836 1.684 . . . . 0.0 114.704 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -156.51 169.11 25.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.484 1.514 . . . . 0.0 111.773 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -107.86 166.28 10.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.748 1.619 . . . . 0.0 110.804 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.21 45.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.28 -0.887 . . . . 0.0 111.794 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -54.66 -17.44 3.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.019 2.127 . . . . 0.0 113.932 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -128.59 7.4 5.75 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.315 2.246 . . . . 0.0 113.187 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.44 129.13 61.27 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo . . . . . 0 C--N 1.354 0.851 0 C-N-CA 123.123 2.549 . . . . 0.0 113.15 179.771 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -96.1 127.42 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.058 1.343 . . . . 0.0 112.401 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.55 -7.86 55.26 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -100.43 -28.76 12.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -131.72 -3.29 3.7 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 71.78 4.67 5.12 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.037 2.135 . . . . 0.0 114.902 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -71.23 172.34 9.46 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.657 1.117 . . . . 0.0 112.779 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -117.1 149.21 40.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.691 1.997 . . . . 0.0 111.882 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.7 -6.63 55.0 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.387 1.47 . . . . 0.0 115.453 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.7 174.39 14.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.628 1.571 . . . . 0.0 111.431 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -115.55 167.49 10.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.536 1.934 . . . . 0.0 109.909 176.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.05 -35.49 25.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.187 0.995 . . . . 0.0 112.261 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -53.2 -20.5 4.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.316 1.846 . . . . 0.0 114.189 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -132.92 15.73 4.26 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.365 2.266 . . . . 0.0 112.644 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -56.05 127.41 69.47 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--N 1.355 0.869 0 C-N-CA 122.671 2.247 . . . . 0.0 113.146 -178.743 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.37 132.65 46.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.46 1.904 . . . . 0.0 115.135 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.68 -16.27 59.57 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -94.92 -63.06 1.21 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.768 1.227 . . . . 0.0 113.863 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.1 -8.43 25.24 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt 74.84 6.13 4.38 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 127.888 2.475 . . . . 0.0 115.569 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.37 171.48 5.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.21 0.914 . . . . 0.0 112.204 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -114.12 159.46 20.02 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.966 1.307 . . . . 0.0 112.973 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.66 -3.5 68.19 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.639 1.59 . . . . 0.0 114.359 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -158.61 175.76 13.24 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.761 1.624 . . . . 0.0 112.116 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -114.6 163.13 15.84 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 0.0 109.992 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.27 58.98 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.856 1.262 . . . . 0.0 112.18 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -55.1 -18.93 6.24 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.694 1.997 . . . . 0.0 114.048 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -133.07 14.45 4.24 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.332 2.253 . . . . 0.0 112.907 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -56.64 130.22 77.11 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.773 1.229 . . . . 0.0 113.724 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo . . . . . 0 C--N 1.354 0.839 0 C-N-CA 123.213 2.609 . . . . 0.0 113.344 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -91.49 129.53 37.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.074 1.35 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 -1.97 36.34 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -107.89 -31.18 8.11 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.04 -5.16 5.0 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 73.89 -0.89 3.23 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.196 2.198 . . . . 0.0 115.353 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -68.26 174.97 3.54 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.493 1.042 . . . . 0.0 112.102 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -120.22 163.84 17.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.268 1.427 . . . . 0.0 113.839 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.22 -0.5 85.77 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.762 1.648 . . . . 0.0 114.707 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -157.22 175.02 14.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.466 1.506 . . . . 0.0 112.366 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -119.9 167.32 12.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.895 2.078 . . . . 0.0 110.141 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.85 -40.26 20.87 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.686 1.194 . . . . 0.0 113.428 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -55.91 -14.96 2.79 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.112 1.765 . . . . 0.0 114.719 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -132.94 14.11 4.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.11 2.164 . . . . 0.0 112.673 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.53 129.93 80.97 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 124.585 1.154 . . . . 0.0 114.085 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--N 1.355 0.9 0 C-N-CA 123.308 2.672 . . . . 0.0 113.279 -179.866 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -90.57 135.1 33.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.99 1.716 . . . . 0.0 113.218 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.23 61.32 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -90.28 -47.24 7.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -117.07 -6.42 11.38 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.5 mptt 67.53 4.68 3.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.39 2.276 . . . . 0.0 115.457 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.71 167.33 7.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.42 1.009 . . . . 0.0 110.562 171.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -111.16 163.49 13.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.55 -3.85 81.86 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.518 1.533 . . . . 0.0 114.88 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -154.63 172.12 18.39 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.644 1.578 . . . . 0.0 111.594 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -116.06 167.37 11.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.54 1.936 . . . . 0.0 109.973 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.42 29.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.032 1.333 . . . . 0.0 113.162 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.9 -15.24 4.47 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.462 1.905 . . . . 0.0 114.251 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -133.9 14.54 3.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.469 2.308 . . . . 0.0 112.219 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.36 128.03 81.93 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 C--N 1.355 0.901 0 C-N-CA 123.059 2.506 . . . . 0.0 112.84 178.833 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.6 t -86.98 128.57 35.07 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.32 1.848 . . . . 0.0 112.557 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -18.98 63.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -93.49 -37.79 11.75 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -175.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.24 -6.07 9.4 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm 68.99 6.42 5.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.12 2.168 . . . . 0.0 115.376 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -68.79 174.6 4.21 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.201 0.91 . . . . 0.0 110.934 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -119.86 162.45 19.1 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.7 -2.18 69.65 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.844 1.688 . . . . 0.0 114.364 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -157.1 173.6 16.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.119 1.768 . . . . 0.0 111.476 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -112.37 165.3 12.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.218 1.807 . . . . 0.0 110.27 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.3 -38.41 52.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.203 1.001 . . . . 0.0 113.208 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.03 -13.99 14.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.468 1.907 . . . . 0.0 113.264 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -132.36 13.61 4.59 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.628 2.371 . . . . 0.0 112.945 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 t -55.2 122.34 42.34 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.988 1.315 . . . . 0.0 114.532 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--N 1.354 0.841 0 C-N-CA 122.548 2.165 . . . . 0.0 113.653 178.033 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.17 132.0 50.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.269 1.828 . . . . 0.0 114.015 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.16 -14.62 61.86 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -99.13 -35.67 9.93 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.79 -3.86 5.87 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 69.15 -0.1 2.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.631 2.373 . . . . 0.0 115.33 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.74 146.78 44.68 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.833 1.197 . . . . 0.0 111.977 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -94.63 141.66 28.35 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.78 1.232 . . . . 0.0 111.862 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.95 30.25 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.227 1.394 . . . . 0.0 115.085 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -149.91 169.57 20.84 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.226 1.41 . . . . 0.0 111.478 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -114.41 160.14 19.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.911 1.685 . . . . 0.0 109.733 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.38 -35.79 19.83 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.744 1.618 . . . . 0.0 113.692 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.87 -20.7 6.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.128 1.771 . . . . 0.0 113.877 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -132.39 17.37 4.44 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.749 2.02 . . . . 0.0 113.164 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.8 t -54.01 127.6 54.5 Favored Pre-proline 0 CA--C 1.557 1.226 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo . . . . . 0 C--N 1.354 0.856 0 C-N-CA 123.323 2.682 . . . . 0.0 113.459 -178.815 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.441 0.162 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 m -139.0 144.26 38.83 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.295 1.438 . . . . 0.0 110.467 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -149.79 152.02 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.419 1.488 . . . . 0.0 110.62 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.02 162.11 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.85 1.66 . . . . 0.0 111.625 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -62.33 153.39 31.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.779 1.232 . . . . 0.0 113.137 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.09 179.48 48.89 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.527 1.061 . . . . 0.0 113.682 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 60.86 177.61 0.1 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.955 2.102 . . . . 0.0 114.478 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -151.62 151.22 31.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.127 1.771 . . . . 0.0 110.676 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.76 163.21 14.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.559 1.143 . . . . 0.0 112.551 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -59.42 148.43 32.77 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.658 1.183 . . . . 0.0 112.617 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.7 mtm-85 -138.65 162.35 34.86 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.489 1.515 . . . . 0.0 112.059 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -140.92 171.41 14.11 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.145 1.778 . . . . 0.0 111.193 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.01 177.73 41.55 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.579 1.085 . . . . 0.0 113.776 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.0 -26.52 0.18 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.679 1.133 . . . . 0.0 114.301 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.51 174.51 12.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.967 1.707 . . . . 0.0 110.794 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -132.34 27.08 4.47 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.614 1.966 . . . . 0.0 111.529 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.6 ttt-85 53.71 45.2 28.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.242 1.817 . . . . 0.0 111.114 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -136.27 -38.96 0.68 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.552 1.541 . . . . 0.0 113.976 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t 55.98 -166.27 0.12 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.253 1.421 . . . . 0.0 112.687 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.1 143.78 56.47 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.862 -1.149 . . . . 0.0 111.113 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 mt -140.27 161.46 37.62 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.692 1.597 . . . . 0.0 111.427 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -146.69 157.69 43.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.454 1.902 . . . . 0.0 109.108 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -68.15 6.14 0.81 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.529 1.532 . . . . 0.0 114.832 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -108.84 -1.29 19.31 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.541 1.936 . . . . 0.0 112.469 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -107.8 173.43 6.32 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.195 . . . . 0.0 113.672 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 t -109.32 130.98 55.48 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.843 1.657 . . . . 0.0 111.925 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.23 67.67 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -76.0 -46.3 30.2 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.54 -3.79 10.37 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.8 mppt? 69.38 5.78 5.33 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.705 2.002 . . . . 0.0 115.724 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -68.52 179.06 1.79 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.897 0.879 . . . . 0.0 111.158 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -127.44 163.65 23.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.775 1.23 . . . . 0.0 113.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.65 -3.93 78.85 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.674 1.607 . . . . 0.0 114.094 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -156.21 170.84 21.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.57 1.948 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -114.72 167.92 10.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.08 1.752 . . . . 0.0 110.093 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.46 -38.56 30.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.919 0.887 . . . . 0.0 113.214 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -54.59 -18.55 4.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.524 1.93 . . . . 0.0 114.664 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -132.5 15.88 4.45 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.737 2.015 . . . . 0.0 112.944 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.21 128.26 72.16 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.37 -16.14 38.99 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.009 2.473 . . . . 0.0 113.418 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -71.1 -23.73 62.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.486 1.115 . . . . 0.0 112.131 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.23 156.58 89.75 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 123.763 0.825 . . . . 0.0 113.112 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.03 -3.8 11.31 Favored 'Trans proline' 0 CA--C 1.545 1.056 0 C-N-CA 123.962 3.108 . . . . 0.0 114.821 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -75.3 34.85 0.11 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.134 2.174 . . . . 0.0 113.074 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.98 -177.62 46.97 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 127.025 2.25 . . . . 0.0 112.403 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -63.64 -9.25 3.65 Favored 'Cis proline' 0 CA--C 1.545 1.043 0 N-CA-C 115.176 1.183 . . . . 0.0 115.176 -25.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -141.23 152.05 44.26 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.964 1.706 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.83 179.86 45.86 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.562 1.554 . . . . 0.0 112.337 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -73.28 23.83 0.31 Allowed 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 124.958 3.772 . . . . 0.0 116.043 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -158.36 77.21 3.43 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 127.766 2.426 . . . . 0.0 109.967 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.84 -25.05 41.34 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.147 3.232 . . . . 0.0 116.124 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 55.61 21.33 4.44 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.268 1.827 . . . . 0.0 114.719 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -140.18 6.71 2.17 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.655 1.582 . . . . 0.0 113.425 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -153.43 -47.07 0.09 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.211 1.404 . . . . 0.0 111.951 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 126.898 2.079 . . . . 0.0 113.693 178.536 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.167 0 C4'-C3'-C2' 99.555 -3.145 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 C4'-C3'-C2' 99.724 -2.976 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 O4'-C1'-N19 111.449 3.249 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 O4'-C1'-N19 111.518 3.318 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 O4'-C1'-N19 111.327 3.127 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.341 0 O4'-C1'-N19 111.282 3.082 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.23 1 O4'-C1'-N19 113.786 5.586 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.363 3.163 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 110.447 2.247 . 0.306 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.459 1 C5'-C4'-C3' 107.931 -5.046 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 O4'-C1'-N19 111.555 3.355 . 0.943 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 1 O4'-C1'-N19 112.206 4.006 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 0 O4'-C1'-N19 111.417 3.217 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.781 -2.919 . 0.034 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 1 C3'-C2'-C1' 105.275 4.194 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.616 0 C5'-C4'-C3' 109.542 -3.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.415 HO2' " C5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C5'-C4'-O4' 111.875 1.911 . 0.154 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.415 " C5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.544 2.579 1 C5'-C4'-O4' 115.167 4.262 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C5'-C4'-C3' 110.847 -3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.68 -3.02 . 0.029 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 1 O4'-C1'-N19 112.294 4.094 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.032 0 C4'-C3'-C2' 99.329 -3.371 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 110.715 2.515 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.74 0 O4'-C1'-N19 112.015 3.815 . 0.914 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 O4'-C1'-N19 112.082 3.882 . 0.606 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.493 3.293 . 0.906 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 O4'-C1'-N19 111.727 3.527 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C4'-C3'-C2' 98.823 -3.877 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 C4'-C3'-C2' 100.182 -2.518 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 O4'-C1'-N19 111.904 3.704 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 O4'-C1'-N19 110.902 2.702 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 O4'-C1'-N19 111.066 2.866 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 C2'-C3'-O3' 118.127 2.545 . 0.912 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 2 P-O3'-C3' 125.799 5.083 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 110.598 -3.268 . 0.046 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 O4'-C1'-N19 110.527 2.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 99.42 -3.28 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 0 O4'-C1'-N19 110.935 2.735 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.086 0 O4'-C1'-N19 111.721 3.521 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C4'-C3'-C2' 99.382 -3.318 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.0 0 C4'-C3'-C2' 99.46 -3.24 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 99.37 -3.33 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.185 0 C4'-C3'-C2' 99.963 -2.737 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C5'-C4'-C3' 111.293 -2.804 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-O4' 112.702 2.501 . 0.222 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 N19-C1'-C2' 117.567 2.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.208 0 O4'-C1'-N19 111.564 3.364 . 0.04 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.813 -2.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.05 0 C4'-C3'-C2' 99.734 -2.966 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 C4'-C3'-C2' 99.39 -3.31 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 O4'-C1'-N19 111.131 2.931 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 C5'-C4'-O4' 113.417 3.012 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 O4'-C1'-N19 111.346 3.146 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C4'-C3' 109.237 2.669 . 0.122 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 1 O4'-C1'-N19 112.634 4.434 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 100.744 -1.956 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C4'-C3'-O3' 115.621 1.931 . 0.37 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 1 O4'-C1'-N19 112.841 4.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.681 0 C4'-C3'-O3' 117.917 2.814 . 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 O4'-C1'-N19 111.919 3.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 O4'-C1'-N19 111.93 3.73 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 112.079 3.879 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C4'-C3'-C2' 100.354 -2.346 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.132 0 O4'-C1'-N19 112.0 3.8 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.278 0 O4'-C1'-N19 110.264 2.064 . 0.071 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C4'-C3' 108.749 2.321 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C4'-C3'-C2' 99.193 -3.507 . 0.319 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 99.234 -3.466 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C4'-C3'-C2' 99.52 -3.18 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 O4'-C1'-N19 111.83 3.63 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.712 3.512 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.559 0.218 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.2 p -142.46 167.78 21.28 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.976 1.71 . . . . 0.0 111.623 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -63.64 156.4 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.395 1.078 . . . . 0.0 112.032 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.92 166.47 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.802 1.241 . . . . 0.0 112.379 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -160.48 171.85 18.28 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.665 1.586 . . . . 0.0 111.882 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.11 174.63 46.93 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.745 1.164 . . . . 0.0 113.209 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 56.26 -171.91 0.07 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 126.245 1.818 . . . . 0.0 114.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -152.49 176.1 12.03 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.546 1.938 . . . . 0.0 112.257 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 60.09 -156.67 0.34 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.22 1.808 . . . . 0.0 113.319 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -135.78 167.98 20.16 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.574 1.95 . . . . 0.0 112.621 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ptm85 -139.81 154.37 47.33 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.439 1.496 . . . . 0.0 112.702 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 60.98 163.48 0.07 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.467 2.307 . . . . 0.0 114.172 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.88 178.07 37.87 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.735 1.636 . . . . 0.0 111.951 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.84 -175.52 42.09 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.284 0.945 . . . . 0.0 113.733 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -149.36 149.43 30.86 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.748 1.619 . . . . 0.0 110.102 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.84 160.51 40.65 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.103 1.361 . . . . 0.0 112.258 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -150.63 177.45 10.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.759 2.024 . . . . 0.0 110.664 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -127.58 172.55 10.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.89 1.276 . . . . 0.0 110.743 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.8 t -154.93 -176.15 5.79 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.587 1.555 . . . . 0.0 111.089 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -54.56 114.09 1.54 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.279 1.432 . . . . 0.0 111.719 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.4 mt -150.52 163.61 38.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.462 1.905 . . . . 0.0 110.522 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -151.41 159.12 44.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 127.73 2.412 . . . . 0.0 106.41 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.3 mmt-85 -72.86 13.44 0.38 Allowed 'General case' 0 N--CA 1.482 1.13 0 O-C-N 120.217 -1.552 . . . . 0.0 114.815 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -121.07 9.3 10.5 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.43 2.292 . . . . 0.0 111.695 173.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -120.53 154.09 35.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.305 1.442 . . . . 0.0 112.657 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.34 133.7 34.01 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.233 1.413 . . . . 0.0 113.891 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.19 60.76 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -92.47 -40.61 10.74 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.46 -6.84 7.54 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.328 55.4 mttm 67.94 9.51 7.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.111 2.164 . . . . 0.0 115.961 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.44 174.78 3.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 0.0 110.481 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -117.63 160.5 21.19 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.71 67.73 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 126.004 1.764 . . . . 0.0 114.754 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -156.79 175.91 13.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.719 1.608 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -116.45 164.88 13.91 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.591 1.956 . . . . 0.0 109.426 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.37 49.64 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 112.807 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -53.55 -20.38 4.94 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.903 2.081 . . . . 0.0 114.344 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -131.28 16.45 5.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.887 2.075 . . . . 0.0 113.168 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -55.64 126.18 63.26 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.39 -26.06 75.93 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 123.308 2.672 . . . . 0.0 114.497 176.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.48 -27.01 68.69 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.67 1.188 . . . . 0.0 112.934 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.62 151.58 95.41 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 124.057 0.943 . . . . 0.0 112.407 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -65.74 127.94 18.93 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.432 2.755 . . . . 0.0 111.08 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -137.52 43.56 2.29 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.165 1.786 . . . . 0.0 111.781 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.58 -33.3 0.04 OUTLIER Glycine 0 CA--C 1.542 1.721 0 CA-C-O 117.037 -1.979 . . . . 0.0 117.284 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -57.91 -10.09 1.01 Allowed 'Cis proline' 0 C--N 1.357 1.009 0 CA-C-N 121.113 2.457 . . . . 0.0 116.21 -27.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 54.4 40.25 31.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.486 1.515 . . . . 0.0 112.548 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.32 -169.3 37.61 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 126.134 1.826 . . . . 0.0 112.477 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -66.62 167.0 20.19 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.593 2.862 . . . . 0.0 112.825 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -132.94 150.7 76.37 Favored Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 125.592 1.557 . . . . 0.0 111.905 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.82 171.07 18.13 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.71 2.94 . . . . 0.0 113.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -147.41 166.3 27.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.868 1.667 . . . . 0.0 111.522 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.6 p -139.89 163.09 33.58 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.286 1.434 . . . . 0.0 112.191 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.6 p -140.48 4.64 1.98 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.276 1.431 . . . . 0.0 114.567 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 125.917 1.687 . . . . 0.0 110.612 -179.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.165 0 C4'-C3'-C2' 99.602 -3.098 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.622 -3.078 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 O4'-C1'-N19 111.376 3.176 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 111.452 3.252 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.37 0 O4'-C1'-N19 111.651 3.451 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 O4'-C1'-N19 111.701 3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 1 O4'-C1'-N19 112.264 4.064 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 O4'-C1'-N19 112.4 4.2 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 0 C5'-C4'-O4' 112.586 2.419 . 0.027 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.477 0 O4'-C1'-N19 111.639 3.439 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C4'-C3'-C2' 100.105 -2.595 . 0.124 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.25 3.05 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.283 0 O4'-C1'-N19 111.483 3.283 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 O4'-C1'-N19 111.125 2.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.298 0 O4'-C1'-N19 111.273 3.073 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 P-O3'-C3' 123.566 3.221 . 0.01 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.419 HO2' " C5'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 O4'-C1'-N19 111.493 3.293 . 0.096 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.419 " C5'" HO2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.697 1 C5'-C4'-O4' 115.166 4.262 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C4'-C3'-C2' 100.262 -2.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.477 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C4'-C3'-C2' 99.534 -3.166 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 O4'-C1'-N19 112.118 3.918 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 99.182 -3.518 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.03 0 O4'-C1'-N19 111.444 3.244 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 1 C4'-C3'-C2' 98.307 -4.393 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 1 O4'-C1'-N19 112.345 4.145 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 110.962 2.762 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 O4'-C1'-N19 111.238 3.038 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C4'-C3'-C2' 99.183 -3.517 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C4'-C3'-C2' 99.843 -2.857 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 O4'-C1'-N19 111.874 3.674 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 O4'-C1'-N19 110.749 2.549 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 O4'-C1'-N19 111.282 3.082 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 C5'-C4'-O4' 112.174 2.124 . 0.855 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 111.466 3.266 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.694 0 C4'-C3'-O3' 116.628 2.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.245 0 C5'-C4'-O4' 113.261 2.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 1 O4'-C1'-N19 112.676 4.476 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.188 0 O4'-C1'-N19 111.245 3.045 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 O4'-C1'-N19 111.658 3.458 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.82 -2.88 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 C4'-C3'-C2' 99.852 -2.848 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 C4'-C3'-C2' 99.219 -3.481 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 C4'-C3'-C2' 100.117 -2.583 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 C5'-C4'-O4' 114.037 3.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.477 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 100.4 -2.3 . 0.398 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 N19-C1'-C2' 117.303 2.44 . 0.053 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.411 0 O4'-C1'-N19 111.638 3.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.791 -2.909 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.994 0 C4'-C3'-C2' 99.33 -3.37 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.046 0 C4'-C3'-C2' 99.493 -3.207 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.96 0 C4'-C3'-C2' 98.792 -3.908 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C5'-C4'-O4' 113.951 3.393 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 111.139 2.939 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 C4'-C3'-C2' 99.967 -2.733 . 0.647 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.455 0 O4'-C1'-N19 111.623 3.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 100.612 -2.088 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 C4'-C3'-O3' 115.892 2.036 . 0.221 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 1 O4'-C1'-N19 112.238 4.038 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.729 0 N19-C1'-C2' 117.763 2.727 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.385 0 O4'-C1'-N19 111.907 3.707 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.869 3.669 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 O4'-C1'-N19 111.9 3.7 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.963 0 C4'-C3'-C2' 100.293 -2.407 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 O4'-C1'-N19 111.228 3.028 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 0 O4'-C1'-N19 110.156 1.956 . 0.09 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O5'-C5'-C4' 114.803 3.288 . 0.288 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 C4'-C3'-C2' 99.897 -2.803 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.57 -3.13 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 99.772 -2.928 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C4'-C3'-C2' 99.266 -3.434 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.891 3.691 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.4 p -140.54 164.08 31.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.762 1.625 . . . . 0.0 111.769 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -129.4 -7.37 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 125.016 1.327 . . . . 0.0 114.401 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 t 54.18 28.51 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 126.473 1.909 . . . . 0.0 114.13 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 m -75.46 47.49 0.39 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.206 1.802 . . . . 0.0 113.483 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.69 -166.34 33.05 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.688 1.137 . . . . 0.0 114.159 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -133.17 160.56 36.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.952 1.701 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -146.57 165.53 29.21 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.19 1.796 . . . . 0.0 110.521 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 62.29 -170.12 0.17 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.857 1.663 . . . . 0.0 112.278 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -145.65 156.62 43.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.352 1.061 . . . . 0.0 112.135 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -7.72 4.74 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 116.505 2.039 . . . . 0.0 116.505 -176.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -124.52 14.65 8.83 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.749 1.619 . . . . 0.0 112.559 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.4 15.06 9.84 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.155 1.359 . . . . 0.0 115.354 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.89 -179.36 42.8 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.228 1.394 . . . . 0.0 113.497 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -151.85 140.58 20.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.006 1.322 . . . . 0.0 112.003 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -62.6 157.57 20.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.125 1.37 . . . . 0.0 113.456 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -146.9 139.72 25.14 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.361 1.464 . . . . 0.0 111.601 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 ttp-105 -160.0 153.82 22.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.387 1.875 . . . . 0.0 110.011 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.0 p -97.51 16.59 19.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.431 1.492 . . . . 0.0 114.894 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 50.38 41.24 24.47 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.388 1.475 . . . . 0.0 112.774 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.266 0.0 OUTLIER -57.57 166.31 1.34 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -177.687 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -131.6 161.12 33.42 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.553 2.341 . . . . 0.0 107.213 174.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.5 mmt-85 -70.78 14.07 0.16 Allowed 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -119.76 5.58 10.98 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.125 2.17 . . . . 0.0 112.098 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -116.57 155.05 29.38 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.068 1.747 . . . . 0.0 112.534 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -88.05 131.15 34.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.792 1.237 . . . . 0.0 112.734 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.79 -16.26 61.63 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -99.9 -30.73 11.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.59 -5.97 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.8 mptt 66.14 8.64 5.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.072 2.149 . . . . 0.0 115.554 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.74 175.2 4.41 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.828 0.851 . . . . 0.0 110.347 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -121.79 164.37 17.57 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.08 -2.59 72.01 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.846 1.689 . . . . 0.0 114.136 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -156.33 172.89 17.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.28 1.832 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -113.4 167.33 10.67 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.237 1.815 . . . . 0.0 109.233 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.83 -34.47 27.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.16 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -57.63 -17.17 13.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.164 2.186 . . . . 0.0 113.635 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -132.16 15.88 4.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.248 2.219 . . . . 0.0 112.185 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.5 t -56.14 125.7 65.0 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.38 -15.73 38.7 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.957 2.438 . . . . 0.0 113.232 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -71.45 -23.55 61.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.38 1.072 . . . . 0.0 112.009 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -75.64 151.13 84.77 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 124.027 0.931 . . . . 0.0 113.017 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.53 178.36 6.32 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.81 3.007 . . . . 0.0 111.867 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.58 30.07 4.97 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.106 1.362 . . . . 0.0 113.582 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.79 -52.07 0.35 Allowed Glycine 0 CA--C 1.538 1.53 0 C-N-CA 126.019 1.771 . . . . 0.0 113.107 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -58.44 -24.21 2.1 Favored 'Cis proline' 0 CA--C 1.543 0.967 0 CA-C-N 118.494 1.147 . . . . 0.0 114.516 -29.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 47.08 33.4 2.35 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 127.076 2.15 . . . . 0.0 115.084 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.35 55.04 0.02 OUTLIER Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.248 1.404 . . . . 0.0 114.608 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.09 157.65 60.86 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.103 2.536 . . . . 0.0 112.054 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -149.65 136.22 10.68 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 125.222 1.409 . . . . 0.0 111.095 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.0 167.36 26.92 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.175 2.583 . . . . 0.0 112.595 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -134.55 -19.3 1.88 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.607 1.163 . . . . 0.0 113.793 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.0 p -141.69 162.95 34.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.71 1.604 . . . . 0.0 111.669 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.2 p -140.27 7.6 2.2 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.234 1.414 . . . . 0.0 114.319 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.471 0.616 0 C-N-CA 126.018 1.727 . . . . 0.0 112.474 -179.428 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 0 C4'-C3'-C2' 99.56 -3.14 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 99.436 -3.264 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 111.69 3.49 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 112.062 3.862 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O4'-C1'-N19 111.915 3.715 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . 0.438 HO2' " C5'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.313 1 O4'-C1'-N19 112.566 4.366 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.438 " C5'" HO2' ' B' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.145 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 C5'-C4'-C3' 109.781 -3.812 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 1 O4'-C1'-N19 112.265 4.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 1 C5'-C4'-C3' 109.016 -4.323 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 O4'-C1'-N19 111.161 2.961 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 111.119 2.919 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 0 C4'-C3'-C2' 99.495 -3.205 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 100.056 -2.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.343 0 C3'-C2'-C1' 103.861 2.623 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.399 0 C5'-C4'-C3' 109.57 -3.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C4'-C3' 108.677 2.27 . 0.226 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.468 0 C3'-C2'-C1' 104.654 3.505 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 0 N19-C1'-C2' 117.352 2.47 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.452 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 99.223 -3.477 . 0.271 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.097 1 O4'-C1'-N19 112.362 4.162 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C4'-C3'-C2' 99.02 -3.68 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 O4'-C1'-N19 110.952 2.752 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 112.147 3.947 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.126 1 O4'-C1'-N19 112.233 4.033 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.249 3.049 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 O4'-C1'-N19 111.324 3.124 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 99.006 -3.694 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 C4'-C3'-C2' 100.125 -2.575 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 C3'-C2'-C1' 104.603 3.448 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C3'-C2'-C1' 104.118 2.909 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.379 1 O4'-C1'-N19 112.392 4.192 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.361 0 C4'-C3'-C2' 99.174 -3.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 98.935 -3.765 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 99.402 -3.298 . 0.181 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.765 1 O4'-C1'-N19 112.971 4.771 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.143 1 O4'-C1'-N19 113.114 4.914 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C5'-C4'-O4' 112.548 2.392 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C4'-C3'-C2' 99.331 -3.369 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.428 -3.272 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C4'-C3'-C2' 99.787 -2.913 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 C4'-C3'-C2' 99.764 -2.936 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 C4'-C3'-C2' 100.504 -2.196 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 100.61 -2.09 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.452 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.711 0 C3'-C2'-C1' 105.077 3.975 . 0.217 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 1 P-O3'-C3' 124.632 4.11 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 P-O3'-C3' 124.688 4.156 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.004 0 O4'-C1'-N19 111.964 3.764 . 0.403 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.236 0 O4'-C1'-N19 111.682 3.482 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C4'-C3'-C2' 99.573 -3.127 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.94 0 C4'-C3'-C2' 98.725 -3.975 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C5'-C4'-O4' 113.546 3.105 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.384 1 O4'-C1'-N19 112.799 4.599 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 N19-C1'-C2' 116.564 1.978 . 0.471 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.687 0 O4'-C1'-N19 111.492 3.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 P-O3'-C3' 123.395 3.079 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 110.681 2.481 . 0.136 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.182 1 O4'-C1'-N19 113.288 5.088 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.627 0 C4'-C3'-O3' 118.443 3.016 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.392 0 O4'-C1'-N19 111.515 3.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 O4'-C1'-N19 111.415 3.215 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 98.966 -3.734 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.962 0 C4'-C3'-C2' 99.444 -3.256 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 C4'-C3'-C2' 99.077 -3.623 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 110.422 2.222 . 0.01 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.499 -3.201 . 0.114 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 1 C4'-C3'-C2' 98.676 -4.024 . 0.638 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C4'-C3'-C2' 99.243 -3.457 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 99.535 -3.165 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 O4'-C1'-N19 111.664 3.464 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.834 3.634 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.629 0.252 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 p -138.79 166.33 24.7 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.783 1.633 . . . . 0.0 111.451 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 t 48.7 33.18 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 126.292 1.837 . . . . 0.0 113.471 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 t 53.0 28.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 126.422 1.889 . . . . 0.0 113.199 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 p -64.95 -20.15 66.32 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.22 169.57 38.55 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.334 1.445 . . . . 0.0 112.998 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -156.73 155.43 31.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.145 1.378 . . . . 0.0 111.992 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -147.91 15.98 1.08 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -126.8 3.45 6.67 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.334 1.454 . . . . 0.0 113.417 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.82 -9.66 58.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.703 1.601 . . . . 0.0 113.565 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -150.35 174.64 12.64 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.121 2.168 . . . . 0.0 111.762 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -143.4 155.59 44.44 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.288 1.435 . . . . 0.0 111.269 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.58 179.96 39.02 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.161 1.363 . . . . 0.0 113.359 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.03 18.53 0.02 OUTLIER Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.731 1.158 . . . . 0.0 115.247 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -84.28 13.88 4.89 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.894 2.078 . . . . 0.0 115.399 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -132.59 159.19 40.22 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.154 1.381 . . . . 0.0 113.182 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -144.05 177.97 8.2 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.667 2.387 . . . . 0.0 109.972 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -47.27 -39.51 14.59 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.369 1.468 . . . . 0.0 114.261 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 t 65.75 -58.57 0.31 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.885 2.474 . . . . 0.0 114.25 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -169.04 133.59 1.48 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 127.027 2.131 . . . . 0.0 109.508 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt -143.27 -178.17 5.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.712 1.605 . . . . 0.0 109.68 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -152.95 155.43 36.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.318 1.847 . . . . 0.0 106.66 173.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 1.71 2.62 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -176.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -120.2 3.8 10.86 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.527 1.931 . . . . 0.0 113.173 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -100.56 158.59 15.82 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.198 0.908 . . . . 0.0 112.338 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.5 t -94.63 128.17 41.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.746 1.218 . . . . 0.0 112.748 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.71 -4.0 37.91 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -109.23 -29.38 8.53 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.58 -4.04 3.73 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.6 mttp 71.61 4.91 5.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.951 2.1 . . . . 0.0 115.363 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.48 161.26 12.13 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.579 1.081 . . . . 0.0 111.461 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.13 134.67 54.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.364 1.465 . . . . 0.0 110.424 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.15 -5.05 18.07 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.836 1.684 . . . . 0.0 114.704 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -156.51 169.11 25.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.484 1.514 . . . . 0.0 111.773 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -107.86 166.28 10.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.748 1.619 . . . . 0.0 110.804 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.21 45.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.28 -0.887 . . . . 0.0 111.794 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -54.66 -17.44 3.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.019 2.127 . . . . 0.0 113.932 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -128.59 7.4 5.75 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.315 2.246 . . . . 0.0 113.187 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.44 129.13 61.27 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -69.19 -17.23 40.28 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.123 2.549 . . . . 0.0 113.15 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -71.07 -21.41 62.24 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.835 0.743 . . . . 0.0 112.119 175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.15 144.18 71.09 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 123.645 0.778 . . . . 0.0 111.9 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.9 -18.53 31.58 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.152 2.568 . . . . 0.0 113.521 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -68.8 155.59 39.9 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.244 1.418 . . . . 0.0 112.213 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.79 -179.44 36.46 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 125.084 1.326 . . . . 0.0 113.707 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -61.62 156.81 57.53 Favored 'Cis proline' 0 CA--C 1.544 0.981 0 C-N-CA 125.031 -0.82 . . . . 0.0 113.807 -27.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.93 162.19 36.84 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.887 2.075 . . . . 0.0 111.322 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.51 -161.87 24.45 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.558 1.075 . . . . 0.0 113.448 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -63.14 157.11 51.18 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.059 2.506 . . . . 0.0 113.392 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -136.47 74.77 52.97 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 126.737 2.015 . . . . 0.0 110.503 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.24 159.65 7.65 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 124.257 3.304 . . . . 0.0 114.73 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -91.45 16.99 9.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.34 1.456 . . . . 0.0 113.07 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 m 54.67 28.94 10.73 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.115 1.766 . . . . 0.0 113.154 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.0 p -157.72 166.44 32.77 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.301 1.841 . . . . 0.0 111.642 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 tp . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.206 1.402 . . . . 0.0 111.303 -179.686 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.094 0 C4'-C3'-C2' 99.58 -3.12 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C4'-C3'-C2' 99.56 -3.14 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.979 3.779 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 O4'-C1'-N19 111.747 3.547 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.648 3.448 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . 0.409 HO2' " C5'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.541 2.376 1 O4'-C1'-N19 112.541 4.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.409 " C5'" HO2' ' B' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.393 1 O4'-C1'-N19 112.305 4.105 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C5'-C4'-C3' 110.637 -3.242 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.592 0 C5'-C4'-O4' 112.991 2.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.099 0 C5'-C4'-C3' 110.544 -3.304 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 O4'-C1'-N19 111.516 3.316 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 112.017 3.817 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.966 0 O4'-C1'-N19 112.032 3.832 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 C4'-C3'-C2' 99.691 -3.009 . 0.01 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.365 0 O4'-C1'-N19 110.519 2.319 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.188 0 C5'-C4'-C3' 109.647 -3.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C4'-C3' 108.613 2.224 . 0.618 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.456 1 O4'-C1'-N19 113.006 4.806 . 0.015 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C5'-C4'-C3' 110.427 -3.382 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.624 0 C4'-C3'-C2' 99.737 -2.963 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.944 3.744 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.964 0 C4'-C3'-C2' 99.043 -3.657 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.974 0 O4'-C1'-N19 111.022 2.822 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 1 C4'-C3'-C2' 98.407 -4.293 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 1 O4'-C1'-N19 112.411 4.211 . 0.405 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 O4'-C1'-N19 111.434 3.234 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 O4'-C1'-N19 111.617 3.417 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 O4'-C1'-N19 111.37 3.17 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 99.273 -3.427 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 O4'-C1'-N19 111.925 3.725 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 0 O4'-C1'-N19 111.607 3.407 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 110.806 2.606 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.227 0 C4'-C3'-C2' 99.418 -3.282 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.507 0 C3'-C2'-C1' 103.875 2.639 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C5'-C4'-O4' 113.931 3.38 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 O4'-C1'-N19 112.236 4.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.104 1 O4'-C1'-N19 112.707 4.507 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 111.094 2.894 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 99.351 -3.349 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 99.21 -3.49 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.973 0 C4'-C3'-C2' 99.689 -3.011 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 99.961 -2.739 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.328 0 C5'-C4'-O4' 112.484 2.345 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C2'-C3'-O3' 116.496 1.963 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C3'-C2'-C1' 104.438 3.265 . 0.545 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.106 -3.594 . 0.07 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.245 3.045 . 0.109 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 0 C5'-C4'-O4' 114.753 3.966 . 0.034 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 111.895 3.695 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.605 -3.095 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 C4'-C3'-C2' 99.116 -3.584 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-O4' 114.37 3.693 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . 0.409 " H2'" ' C5 ' ' B' ' 55' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.563 3.363 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . 0.409 ' C5 ' " H2'" ' B' ' 54' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 100.28 -2.42 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 112.147 3.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.134 0 O4'-C1'-N19 111.208 3.008 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.61 3.41 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.019 2 O4'-C1'-N19 113.642 5.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 N19-C1'-C2' 117.12 2.325 . 0.01 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.53 1 O5'-C5'-C4' 117.119 4.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 O4'-C1'-N19 111.873 3.673 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 1 O4'-C1'-N19 112.245 4.045 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 O4'-C1'-N19 111.305 3.105 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C5'-C4'-O4' 113.006 2.719 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 C5'-C4'-O4' 111.731 1.808 . 0.223 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 O4'-C4'-C3' 109.031 2.522 . 0.553 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 99.64 -3.06 . 0.242 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 C4'-C3'-C2' 99.206 -3.494 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C4'-C3'-C2' 99.442 -3.258 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 O4'-C1'-N19 111.955 3.755 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 O4'-C1'-N19 111.96 3.76 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.312 0.101 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.0 p -129.55 -6.26 4.69 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.049 1.339 . . . . 0.0 114.314 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.6 m -143.94 165.59 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 126.378 1.871 . . . . 0.0 111.328 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.8 t -138.51 135.31 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.62 1.568 . . . . 0.0 109.34 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -143.94 158.19 43.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.192 1.397 . . . . 0.0 112.173 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.85 18.73 0.15 Allowed Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.348 0.975 . . . . 0.0 115.347 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.17 149.91 40.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.396 1.478 . . . . 0.0 112.312 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -134.13 173.27 11.78 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.961 1.704 . . . . 0.0 111.584 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -143.76 175.67 9.82 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.948 1.299 . . . . 0.0 113.084 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -139.69 167.36 22.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.452 1.901 . . . . 0.0 111.44 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -132.02 137.82 47.99 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.026 1.33 . . . . 0.0 110.831 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -135.54 9.99 3.42 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.485 1.514 . . . . 0.0 113.164 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.76 -175.8 47.72 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.615 1.579 . . . . 0.0 112.336 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.3 47.01 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 123.787 0.708 . . . . 0.0 114.461 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.22 164.1 39.08 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.459 1.904 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm-85 -134.69 2.43 3.18 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.906 1.282 . . . . 0.0 114.155 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -45.02 -30.18 0.99 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.104 2.162 . . . . 0.0 116.371 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -116.81 15.48 15.32 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.138 1.775 . . . . 0.0 113.972 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t 61.06 178.33 0.11 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.247 2.219 . . . . 0.0 113.54 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -84.33 36.89 0.6 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.749 1.619 . . . . 0.0 112.161 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.9 160.25 23.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.408 1.483 . . . . 0.0 114.253 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 24' ' ' ASP . 49.0 t0 -154.32 163.83 39.54 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 128.997 2.919 . . . . 0.0 106.312 174.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 mmt-85 -72.09 17.29 0.1 Allowed 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.161 -1.587 . . . . 0.0 114.37 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 22' ' ' ASP . 37.6 t70 -117.68 2.46 12.29 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 129.609 3.164 . . . . 0.0 111.658 176.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -125.54 164.53 20.31 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.493 1.517 . . . . 0.0 112.834 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -96.1 127.42 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.058 1.343 . . . . 0.0 112.401 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.55 -7.86 55.26 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -100.43 -28.76 12.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -131.72 -3.29 3.7 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 71.78 4.67 5.12 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.037 2.135 . . . . 0.0 114.902 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -71.23 172.34 9.46 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.657 1.117 . . . . 0.0 112.779 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -117.1 149.21 40.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.691 1.997 . . . . 0.0 111.882 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.7 -6.63 55.0 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.387 1.47 . . . . 0.0 115.453 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.7 174.39 14.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.628 1.571 . . . . 0.0 111.431 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -115.55 167.49 10.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.536 1.934 . . . . 0.0 109.909 176.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.05 -35.49 25.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.187 0.995 . . . . 0.0 112.261 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -53.2 -20.5 4.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.316 1.846 . . . . 0.0 114.189 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -132.92 15.73 4.26 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.365 2.266 . . . . 0.0 112.644 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -56.05 127.41 69.47 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -66.97 -20.36 51.08 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.671 2.247 . . . . 0.0 113.146 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -72.49 -21.54 61.19 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.99 151.86 97.08 Favored Pre-proline 0 N--CA 1.478 0.926 0 CA-C-N 119.278 0.945 . . . . 0.0 111.95 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.15 -9.56 24.63 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.236 2.624 . . . . 0.0 114.511 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -65.18 151.2 46.71 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.761 1.224 . . . . 0.0 112.319 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.06 -37.63 0.19 Allowed Glycine 0 CA--C 1.542 1.747 0 CA-C-O 117.286 -1.841 . . . . 0.0 115.445 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -52.62 170.45 3.19 Favored 'Cis proline' 0 CA--C 1.542 0.921 0 CA-C-N 120.122 1.961 . . . . 0.0 114.295 -29.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -138.8 168.45 19.79 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.152 1.781 . . . . 0.0 111.365 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.03 175.27 52.49 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 124.111 0.862 . . . . 0.0 113.632 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.83 168.14 22.51 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 123.76 2.973 . . . . 0.0 112.903 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 44.09 77.48 0.45 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 127.52 2.328 . . . . 0.0 114.26 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.09 170.75 16.24 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 123.61 2.873 . . . . 0.0 112.36 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -119.62 10.55 11.78 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 t -139.6 4.73 2.17 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.147 1.379 . . . . 0.0 113.447 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -151.97 169.53 22.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.801 1.64 . . . . 0.0 111.714 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 N--CA 1.47 0.567 0 C-N-CA 125.385 1.474 . . . . 0.0 112.551 -179.511 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C4'-C3'-C2' 99.914 -2.786 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 99.954 -2.746 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C4'-C3'-C2' 100.064 -2.636 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C4'-C3'-C2' 98.916 -3.784 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 O4'-C1'-N19 111.704 3.504 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.871 3.671 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 O4'-C1'-N19 112.071 3.871 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.033 0 C3'-C2'-C1' 104.205 3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.068 -3.632 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 2 C5'-C4'-C3' 108.024 -4.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 O4'-C1'-N19 111.699 3.499 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 1 O4'-C1'-N19 112.631 4.431 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 C3'-C2'-C1' 104.896 3.773 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.425 ' N6 ' ' C2 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.885 1 O5'-C5'-C4' 116.255 4.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.528 0 C3'-C2'-C1' 103.758 2.509 . 0.214 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.121 0 O5'-C5'-C4' 115.781 3.987 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C5'-C4'-O4' 111.988 1.991 . 0.573 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.498 0 O4'-C1'-N19 112.141 3.941 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.808 0 O5'-C5'-C4' 114.024 2.732 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.425 ' C2 ' ' N6 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C5'-C4'-O4' 113.27 2.907 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 O4'-C1'-N19 111.978 3.778 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 C4'-C3'-C2' 99.165 -3.535 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 O4'-C1'-N19 110.722 2.522 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 1 O4'-C1'-N19 112.209 4.009 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 1 O4'-C1'-N19 112.62 4.42 . 0.449 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 O4'-C1'-N19 111.442 3.242 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 111.705 3.505 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 O4'-C1'-N19 111.755 3.555 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C4'-C3'-C2' 99.744 -2.956 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.789 3.589 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 0 O4'-C1'-N19 111.737 3.537 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 C4'-C3'-C2' 99.7 -3.0 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C5'-C4'-O4' 111.772 1.837 . 0.708 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 C5'-C4'-O4' 112.071 2.051 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 99.431 -3.269 . 0.397 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 O4'-C1'-N19 110.998 2.798 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 1 O4'-C1'-N19 113.332 5.132 . 0.042 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.163 0 C5'-C4'-O4' 113.649 3.178 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.339 -3.361 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 0 C4'-C3'-C2' 99.412 -3.288 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 C4'-C3'-C2' 99.738 -2.962 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.485 -3.215 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 99.838 -2.862 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C5'-C4'-O4' 113.66 3.185 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C3'-C2'-C1' 103.524 2.249 . 0.496 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O5'-C5'-C4' 114.863 3.331 OUTLIER-EPSILON 0.231 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 1 P-O3'-C3' 125.312 4.677 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 99.908 -2.792 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 O4'-C1'-N19 111.244 3.044 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 0 C4'-C3'-C2' 99.301 -3.399 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 C4'-C3'-C2' 98.902 -3.798 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C5'-C4'-O4' 113.841 3.315 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.611 3.411 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 C4'-C3'-C2' 99.595 -3.105 . 0.604 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 111.974 3.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 100.978 -1.722 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 O5'-C5'-C4' 113.01 2.007 . 0.204 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.105 1 O4'-C1'-N19 112.834 4.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 0 O4'-C1'-N19 111.775 3.575 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C4'-C3'-C2' 99.193 -3.507 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 O4'-C1'-N19 111.883 3.683 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.943 0 C4'-C3'-C2' 99.793 -2.907 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 C4'-C3'-C2' 99.289 -3.411 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C4'-C3'-C2' 99.326 -3.374 . 0.131 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C4'-C3'-C2' 100.095 -2.605 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O5'-C5'-C4' 113.752 2.537 . 0.331 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C4'-C3'-C2' 99.383 -3.317 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 99.825 -2.875 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 C4'-C3'-C2' 99.49 -3.21 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.59 3.39 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.522 0.201 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.3 p -140.72 163.87 31.74 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.729 1.612 . . . . 0.0 111.919 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -141.63 164.74 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.102 1.761 . . . . 0.0 111.393 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 p -150.24 148.25 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.111 1.364 . . . . 0.0 111.071 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -157.93 157.34 32.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.307 1.443 . . . . 0.0 111.395 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.61 -178.93 36.41 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.985 1.279 . . . . 0.0 113.794 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -146.41 131.07 17.88 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.529 1.532 . . . . 0.0 109.613 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.29 152.73 40.31 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.646 1.178 . . . . 0.0 113.161 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -145.22 163.23 35.05 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.354 1.861 . . . . 0.0 111.029 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -135.37 6.22 3.27 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.656 1.182 . . . . 0.0 113.47 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 47.18 34.92 3.26 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.825 2.05 . . . . 0.0 114.337 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -155.32 134.59 12.38 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.847 1.659 . . . . 0.0 109.783 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.65 170.46 32.46 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.569 1.08 . . . . 0.0 113.189 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.16 176.46 14.72 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.159 1.362 . . . . 0.0 113.314 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -154.32 154.08 32.75 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.131 1.372 . . . . 0.0 110.566 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -152.48 163.25 39.92 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.85 1.26 . . . . 0.0 113.389 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -148.38 120.86 8.5 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.963 1.705 . . . . 0.0 111.301 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -162.88 160.22 24.73 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 127.008 2.123 . . . . 0.0 109.151 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -129.84 51.11 2.11 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.804 1.241 . . . . 0.0 112.113 -177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 49.83 50.97 17.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.996 1.718 . . . . 0.0 112.824 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.24 166.36 2.99 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 123.226 1.488 . . . . 0.0 114.191 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -140.78 143.44 34.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.704 2.802 . . . . 0.0 106.528 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -64.24 2.45 0.58 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -126.73 15.28 7.53 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.514 1.926 . . . . 0.0 113.168 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -127.99 139.06 52.78 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 121.075 -1.015 . . . . 0.0 113.379 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.37 132.65 46.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.46 1.904 . . . . 0.0 115.135 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.68 -16.27 59.57 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -94.92 -63.06 1.21 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.768 1.227 . . . . 0.0 113.863 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.1 -8.43 25.24 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt 74.84 6.13 4.38 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 127.888 2.475 . . . . 0.0 115.569 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.37 171.48 5.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.21 0.914 . . . . 0.0 112.204 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -114.12 159.46 20.02 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.966 1.307 . . . . 0.0 112.973 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.66 -3.5 68.19 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.639 1.59 . . . . 0.0 114.359 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -158.61 175.76 13.24 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.761 1.624 . . . . 0.0 112.116 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -114.6 163.13 15.84 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 0.0 109.992 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.27 58.98 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.856 1.262 . . . . 0.0 112.18 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -55.1 -18.93 6.24 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.694 1.997 . . . . 0.0 114.048 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -133.07 14.45 4.24 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.332 2.253 . . . . 0.0 112.907 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -56.64 130.22 77.11 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.773 1.229 . . . . 0.0 113.724 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -70.77 -11.75 29.97 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.213 2.609 . . . . 0.0 113.344 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -102.0 -6.62 23.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.999 1.72 . . . . 0.0 112.323 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.96 136.18 96.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 118.184 -0.912 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.14 161.37 6.86 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.542 2.828 . . . . 0.0 113.475 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -112.63 28.94 8.35 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.987 1.315 . . . . 0.0 113.084 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.02 -25.35 69.29 Favored Glycine 0 CA--C 1.545 1.935 0 CA-C-O 116.677 -2.179 . . . . 0.0 116.786 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -51.55 -25.78 0.45 Allowed 'Cis proline' 0 C--N 1.36 1.156 0 CA-C-N 121.655 2.728 . . . . 0.0 115.443 -26.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 67.29 162.91 0.19 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.371 2.268 . . . . 0.0 113.805 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.52 65.11 0.11 Allowed Glycine 0 CA--C 1.538 1.523 0 CA-C-O 118.317 -1.268 . . . . 0.0 113.911 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.44 155.96 33.44 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.485 2.79 . . . . 0.0 113.283 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -66.46 145.19 98.94 Favored Pre-proline 0 N--CA 1.477 0.924 0 C-N-CA 123.178 0.591 . . . . 0.0 111.169 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.2 146.98 59.02 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.804 2.336 . . . . 0.0 112.133 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -143.11 3.96 1.4 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m 42.27 40.49 1.8 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 126.607 1.963 . . . . 0.0 114.114 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.8 m 56.93 14.87 2.04 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.596 1.958 . . . . 0.0 116.007 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 127.331 2.252 . . . . 0.0 114.357 -179.593 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.252 0 C4'-C3'-C2' 99.634 -3.066 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.695 -3.005 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.292 -3.408 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 O4'-C1'-N19 111.995 3.795 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 1 O4'-C1'-N19 112.333 4.133 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-O3' 119.057 3.253 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.232 3 P-O3'-C3' 125.333 4.695 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.503 1 P-O3'-C3' 126.423 5.602 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 2 O4'-C1'-N19 113.017 4.817 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.894 2 C5'-C4'-C3' 107.812 -5.125 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 C4'-C3'-C2' 99.802 -2.898 . 0.268 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 111.123 2.923 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.423 0 O4'-C1'-N19 111.567 3.367 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C4'-C3'-C2' 99.317 -3.383 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 C5'-C4'-O4' 113.379 2.985 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 0 O4'-C1'-N19 111.492 3.292 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C5'-C4'-O4' 113.563 3.117 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.477 1 O4'-C1'-N19 113.324 5.124 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 N19-C1'-C2' 118.778 3.361 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.408 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.624 3.09 0 C4'-C3'-C2' 99.748 -2.952 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 O4'-C1'-N19 112.029 3.829 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C4'-C3'-C2' 99.257 -3.443 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.928 0 C5'-C4'-O4' 112.814 2.581 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.072 2 C4'-C3'-C2' 98.165 -4.535 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.272 1 O4'-C1'-N19 112.467 4.267 . 0.333 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 O4'-C1'-N19 111.194 2.994 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 111.413 3.213 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C4'-C3'-C2' 99.252 -3.448 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C4'-C3'-C2' 99.519 -3.181 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 O4'-C1'-N19 111.832 3.632 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.721 3.521 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.795 -2.905 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C5'-C4'-O4' 112.285 2.204 . 0.749 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-O4' 112.609 2.435 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.372 0 O4'-C1'-N19 111.136 2.936 . 0.167 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C4'-C3'-C2' 99.322 -3.378 . 0.01 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.477 " H2'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.537 2.056 1 C4'-C3'-C2' 98.313 -4.387 . 0.581 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.477 ' C8 ' " H2'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C4'-C3'-C2' 99.621 -3.079 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 O4'-C1'-N19 111.714 3.514 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.615 -3.085 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C4'-C3'-C2' 99.816 -2.884 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.611 -3.089 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 0 O4'-C1'-N19 111.179 2.979 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C5'-C4'-O4' 113.553 3.109 . 0.252 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.408 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C4'-C3' 109.148 2.606 . 0.453 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 P-O3'-C3' 122.788 2.574 . 0.76 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.842 0 O4'-C1'-N19 111.527 3.327 . 0.157 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 P-O3'-C3' 123.513 3.177 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 110.78 2.58 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.42 -3.28 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.982 0 C4'-C3'-C2' 99.405 -3.295 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C5'-C4'-O4' 113.358 2.97 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 111.659 3.459 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 110.771 2.571 . 0.143 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.826 3.626 . 0.037 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 C4'-C3'-C2' 99.427 -3.273 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 1 O4'-C1'-N19 112.359 4.159 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 1 O4'-C1'-N19 113.516 5.316 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 O4'-C1'-N19 112.914 4.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 1 O4'-C1'-N19 112.5 4.3 . 0.291 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 C4'-C3'-C2' 99.15 -3.55 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 O4'-C1'-N19 111.834 3.634 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 110.927 2.727 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.148 0 O4'-C1'-N19 111.331 3.131 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 100.666 -2.034 . 0.194 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 100.983 -1.717 . 0.424 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 C4'-C3'-C2' 99.724 -2.976 . 0.13 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C4'-C3'-C2' 99.363 -3.337 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.651 -3.049 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.301 -3.399 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 111.786 3.586 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.602 0.239 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.8 p -72.34 168.06 19.16 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.517 1.127 . . . . 0.0 112.349 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 t -72.94 -22.08 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.116 0.967 . . . . 0.0 112.676 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.4 t 69.34 -4.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 127.181 2.192 . . . . 0.0 113.302 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 m -135.12 11.33 3.57 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.811 2.044 . . . . 0.0 112.281 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.64 -179.75 42.48 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.055 1.788 . . . . 0.0 112.466 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -149.44 -20.27 0.28 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.12 1.368 . . . . 0.0 113.862 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -136.93 -3.02 2.05 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.545 1.538 . . . . 0.0 114.535 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -77.1 160.45 29.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.955 2.102 . . . . 0.0 112.182 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -132.39 10.0 4.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.337 1.455 . . . . 0.0 113.255 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -150.61 170.27 19.56 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.752 1.621 . . . . 0.0 112.788 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -132.45 20.79 4.33 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.946 1.698 . . . . 0.0 112.065 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.1 -172.12 30.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 126.149 1.833 . . . . 0.0 112.261 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.55 -173.49 37.13 Favored Glycine 0 CA--C 1.535 1.313 0 O-C-N 121.887 -0.772 . . . . 0.0 114.919 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -145.52 163.38 34.9 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.468 1.907 . . . . 0.0 110.449 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -129.72 149.22 51.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.12 1.368 . . . . 0.0 113.277 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.3 -26.58 61.09 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.774 1.629 . . . . 0.0 114.887 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -58.46 -25.82 62.68 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.336 1.455 . . . . 0.0 114.049 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.9 m 41.78 52.0 4.07 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.752 1.621 . . . . 0.0 113.071 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 68.26 125.42 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.484 2.714 . . . . 0.0 113.437 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.3 mt -147.22 162.47 38.84 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.586 1.554 . . . . 0.0 111.384 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -150.72 152.2 33.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.243 2.217 . . . . 0.0 107.425 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -7.97 25.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -109.33 12.1 24.92 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.064 1.746 . . . . 0.0 112.393 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -114.55 160.79 18.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.646 1.178 . . . . 0.0 112.554 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -91.49 129.53 37.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.074 1.35 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 -1.97 36.34 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -107.89 -31.18 8.11 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.04 -5.16 5.0 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 73.89 -0.89 3.23 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.196 2.198 . . . . 0.0 115.353 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -68.26 174.97 3.54 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.493 1.042 . . . . 0.0 112.102 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -120.22 163.84 17.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.268 1.427 . . . . 0.0 113.839 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.22 -0.5 85.77 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.762 1.648 . . . . 0.0 114.707 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -157.22 175.02 14.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.466 1.506 . . . . 0.0 112.366 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -119.9 167.32 12.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.895 2.078 . . . . 0.0 110.141 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.85 -40.26 20.87 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.686 1.194 . . . . 0.0 113.428 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -55.91 -14.96 2.79 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.112 1.765 . . . . 0.0 114.719 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -132.94 14.11 4.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.11 2.164 . . . . 0.0 112.673 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.53 129.93 80.97 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 124.585 1.154 . . . . 0.0 114.085 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.32 -13.96 39.04 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.308 2.672 . . . . 0.0 113.279 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -108.05 20.71 18.36 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.307 1.043 . . . . 0.0 113.485 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -127.87 134.13 25.88 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.202 1.401 . . . . 0.0 110.901 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.21 153.13 34.76 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.791 2.327 . . . . 0.0 112.625 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -145.23 177.28 8.92 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.416 1.087 . . . . 0.0 112.599 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.49 -58.06 0.05 OUTLIER Glycine 0 CA--C 1.542 1.754 0 CA-C-O 117.198 -1.89 . . . . 0.0 116.075 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -80.4 173.76 51.04 Favored 'Cis proline' 0 CA--C 1.543 0.952 0 CA-C-N 120.962 2.381 . . . . 0.0 113.526 26.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -139.12 153.34 47.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.076 1.75 . . . . 0.0 110.159 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.65 -167.47 12.64 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.629 1.585 . . . . 0.0 113.235 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.75 170.6 17.37 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.774 2.983 . . . . 0.0 112.586 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -63.77 149.02 93.7 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.258 1.023 . . . . 0.0 111.917 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -67.65 155.51 69.78 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 122.441 2.094 . . . . 0.0 110.486 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -143.38 148.94 36.99 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.695 0.798 . . . . 0.0 112.351 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.8 p -64.06 140.21 58.85 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.098 1.359 . . . . 0.0 111.666 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 t -159.8 -156.17 0.49 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.016 1.326 . . . . 0.0 110.641 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.4 mt . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 126.194 1.798 . . . . 0.0 111.837 -179.337 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 99.597 -3.103 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 C4'-C3'-C2' 99.506 -3.194 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.007 0 O4'-C1'-N19 111.798 3.598 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 O4'-C1'-N19 111.833 3.633 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 O4'-C1'-N19 112.016 3.816 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.276 1 C3'-C2'-C1' 105.381 4.312 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 1 O4'-C1'-N19 113.112 4.912 . 0.627 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C5'-C4'-C3' 111.619 -2.588 . 0.02 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 1 C5'-C4'-O4' 115.078 4.198 . 0.026 5j . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 O4'-C1'-N19 111.085 2.885 . 0.395 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 1 O4'-C1'-N19 112.366 4.166 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 O4'-C1'-N19 111.786 3.586 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.316 1 O4'-C1'-N19 112.21 4.01 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C1'-O4'-C4' 106.706 -3.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C4'-C3'-O3' 118.172 2.912 OUTLIER-EPSILON 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.397 0 P-O3'-C3' 124.452 3.96 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C3'-C2'-C1' 103.564 2.293 . 0.118 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.412 0 C3'-C2'-C1' 104.55 3.389 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.386 0 N19-C1'-C2' 118.22 3.013 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.674 0 C5'-C4'-O4' 112.993 2.709 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 O4'-C1'-N19 111.855 3.655 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 C4'-C3'-C2' 99.586 -3.114 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.905 0 C4'-C3'-C2' 100.063 -2.637 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 2 O4'-C1'-N19 112.898 4.698 . 0.683 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.237 1 O4'-C1'-N19 112.373 4.173 . 0.367 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.764 0 O4'-C1'-N19 112.056 3.856 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 O4'-C1'-N19 111.645 3.445 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C4'-C3'-C2' 99.093 -3.607 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 C4'-C3'-C2' 100.061 -2.639 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 0 O4'-C1'-N19 111.427 3.227 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 O4'-C1'-N19 110.697 2.497 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C1'-N19 111.548 3.348 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C2'-C3'-O3' 117.887 2.46 . 0.523 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.446 1 P-O3'-C3' 124.886 4.321 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.792 0 O5'-C5'-C4' 115.244 3.603 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 1 O5'-C5'-C4' 116.495 4.496 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.184 1 O4'-C1'-N19 112.542 4.342 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.004 2.804 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 O4'-C1'-N19 111.603 3.403 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.159 0 C4'-C3'-C2' 99.49 -3.21 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 0 C4'-C3'-C2' 99.539 -3.161 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C4'-C3'-C2' 99.254 -3.446 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 C4'-C3'-C2' 99.679 -3.021 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 O4'-C1'-N19 111.349 3.149 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.948 0 C3'-C2'-C1' 103.68 2.422 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 P-O3'-C3' 124.435 3.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.336 1 O4'-C1'-N19 112.278 4.078 . 0.464 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 C5'-C4'-O4' 113.777 3.269 . 0.084 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 0 O4'-C1'-N19 111.305 3.105 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C4'-C3'-C2' 99.423 -3.277 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 C4'-C3'-C2' 99.098 -3.602 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 C5'-C4'-O4' 113.746 3.247 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 O4'-C1'-N19 111.677 3.477 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 C4'-C3'-C2' 99.108 -3.592 . 0.583 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.571 0 O4'-C1'-N19 111.659 3.459 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 C4'-C3'-C2' 100.432 -2.268 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-O3' 119.269 3.334 OUTLIER-EPSILON 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 1 O4'-C1'-N19 112.335 4.135 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.314 0 O4'-C1'-N19 110.663 2.463 . 0.035 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.441 1 O5'-C5'-C4' 117.819 5.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C4'-C3'-C2' 99.353 -3.347 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.981 0 C4'-C3'-C2' 98.919 -3.781 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.94 0 O4'-C1'-N19 111.306 3.106 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 C4'-C3'-C2' 99.442 -3.258 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.291 0 P-O3'-C3' 121.954 1.879 . 0.043 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 C4'-C3'-C2' 99.516 -3.184 . 0.727 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 1 C4'-C3'-C2' 98.076 -4.624 . 0.655 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 C4'-C3'-C2' 99.178 -3.522 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 99.434 -3.266 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 O4'-C1'-N19 111.769 3.569 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 O4'-C1'-N19 111.83 3.63 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.397 0.142 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.9 p -125.89 0.83 7.34 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.887 1.275 . . . . 0.0 114.256 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 t 63.72 14.98 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 125.571 1.548 . . . . 0.0 111.736 -174.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.1 t -135.87 -32.53 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.968 2.107 . . . . 0.0 111.034 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -62.45 162.59 9.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.124 1.37 . . . . 0.0 113.905 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.87 178.96 43.08 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.041 1.305 . . . . 0.0 113.067 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -131.39 9.54 4.74 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.793 1.237 . . . . 0.0 114.156 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -150.59 168.77 23.27 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.532 1.533 . . . . 0.0 112.657 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -149.93 167.47 26.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.821 1.648 . . . . 0.0 111.73 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -150.85 155.38 39.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.27 1.428 . . . . 0.0 111.368 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -145.11 145.5 31.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.66 1.584 . . . . 0.0 111.133 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -142.06 -29.92 0.58 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.527 1.131 . . . . 0.0 113.518 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.85 -175.68 45.16 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.55 1.071 . . . . 0.0 113.286 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.66 -172.56 37.81 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.845 1.212 . . . . 0.0 112.867 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -103.93 -12.23 16.98 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -62.06 -34.27 75.95 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.881 1.272 . . . . 0.0 112.994 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -53.29 151.51 5.27 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.939 1.696 . . . . 0.0 113.291 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -70.44 10.79 0.42 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -67.89 169.22 10.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.163 1.385 . . . . 0.0 112.083 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 50.22 39.53 20.03 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.828 1.651 . . . . 0.0 113.337 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.22 157.18 45.59 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.409 1.884 . . . . 0.0 110.851 -178.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -156.45 163.45 39.42 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.524 1.93 . . . . 0.0 108.793 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -71.58 5.8 2.22 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -109.11 6.52 24.99 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.528 1.931 . . . . 0.0 111.342 173.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -126.72 165.33 19.45 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.651 1.58 . . . . 0.0 113.663 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -90.57 135.1 33.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.99 1.716 . . . . 0.0 113.218 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.23 61.32 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -90.28 -47.24 7.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -117.07 -6.42 11.38 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.5 mptt 67.53 4.68 3.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.39 2.276 . . . . 0.0 115.457 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.71 167.33 7.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.42 1.009 . . . . 0.0 110.562 171.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -111.16 163.49 13.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.55 -3.85 81.86 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.518 1.533 . . . . 0.0 114.88 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -154.63 172.12 18.39 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.644 1.578 . . . . 0.0 111.594 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -116.06 167.37 11.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.54 1.936 . . . . 0.0 109.973 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.42 29.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.032 1.333 . . . . 0.0 113.162 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.9 -15.24 4.47 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.462 1.905 . . . . 0.0 114.251 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -133.9 14.54 3.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.469 2.308 . . . . 0.0 112.219 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.36 128.03 81.93 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -69.96 -14.0 34.9 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.059 2.506 . . . . 0.0 112.84 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -76.68 -22.03 54.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.884 0.874 . . . . 0.0 111.732 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -81.16 143.96 53.52 Favored Pre-proline 0 N--CA 1.477 0.907 0 CA-C-N 118.746 0.703 . . . . 0.0 112.339 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -73.51 163.88 36.43 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.448 2.766 . . . . 0.0 112.329 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 45.47 39.29 4.49 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 126.605 1.962 . . . . 0.0 114.833 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.02 80.83 0.11 Allowed Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.058 1.313 . . . . 0.0 113.265 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.85 172.6 19.34 Favored 'Cis proline' 0 CA--C 1.541 0.841 0 CA-C-N 118.655 1.228 . . . . 0.0 113.591 -26.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -82.28 39.13 0.57 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.28 1.432 . . . . 0.0 112.568 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.03 60.97 0.04 OUTLIER Glycine 0 CA--C 1.538 1.508 0 C-N-CA 126.504 2.002 . . . . 0.0 112.249 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -72.63 150.57 51.09 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.48 2.787 . . . . 0.0 113.028 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.66 75.36 8.52 Favored Pre-proline 0 N--CA 1.478 0.975 0 C-N-CA 125.504 1.521 . . . . 0.0 109.905 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.04 159.36 47.96 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.44 2.76 . . . . 0.0 112.555 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -139.4 19.06 2.56 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.316 1.447 . . . . 0.0 112.531 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m 55.12 27.3 9.31 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.006 1.722 . . . . 0.0 113.624 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 t -145.45 20.98 1.53 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.713 1.605 . . . . 0.0 112.577 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 125.02 1.328 . . . . 0.0 112.039 -179.713 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C4'-C3'-C2' 99.383 -3.317 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.728 -2.972 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 C4'-C3'-C2' 99.106 -3.594 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 O4'-C1'-N19 111.848 3.648 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 O4'-C1'-N19 112.124 3.924 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.407 1 C3'-C2'-C1' 105.246 4.163 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 1 O4'-C1'-N19 114.096 5.896 . 0.604 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.599 0 C3'-C2'-C1' 105.028 3.92 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.505 HO2' " C5'" ' B' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.872 3.672 . 0.497 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . 0.505 " C5'" HO2' ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.222 1 C5'-C4'-C3' 108.897 -4.402 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 O4'-C1'-N19 111.162 2.962 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.144 2.944 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.965 0 C4'-C3'-C2' 99.474 -3.226 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.467 -3.233 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.275 0 O4'-C1'-N19 111.561 3.361 . 0.426 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 P-O3'-C3' 124.479 3.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-O4' 112.537 2.383 . 0.425 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 1 O4'-C1'-N19 112.533 4.333 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 N19-C1'-C2' 117.477 2.548 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.442 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 C4'-C3'-C2' 99.157 -3.543 . 0.132 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 0 O4'-C1'-N19 112.161 3.961 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 C4'-C3'-C2' 99.223 -3.477 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.01 0 O4'-C1'-N19 110.772 2.572 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 2 O4'-C1'-N19 113.06 4.86 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 1 O4'-C1'-N19 112.429 4.229 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 O4'-C1'-N19 111.607 3.407 . 0.907 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 111.757 3.557 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 C4'-C3'-C2' 99.35 -3.35 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C4'-C3'-C2' 100.019 -2.681 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 O4'-C1'-N19 111.034 2.834 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 110.82 2.62 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.599 -3.101 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O5'-C5'-C4' 113.778 2.556 . 0.692 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 100.675 -2.025 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.035 0 O4'-C1'-N19 110.953 2.753 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 0 O4'-C1'-N19 111.648 3.448 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 1 O4'-C1'-N19 112.302 4.102 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C5'-C4'-O4' 112.465 2.332 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 C4'-C3'-C2' 99.46 -3.24 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C4'-C3'-C2' 99.383 -3.317 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.077 0 C4'-C3'-C2' 99.658 -3.042 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C4'-C3'-C2' 99.64 -3.06 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C5'-C4'-O4' 112.657 2.469 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C4'-C3'-C2' 99.873 -2.827 . 0.449 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.442 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C5'-C4'-O4' 113.088 2.777 . 0.364 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 P-O3'-C3' 122.674 2.478 . 0.099 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.409 0 O4'-C1'-N19 112.082 3.882 . 0.068 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C4'-C3'-C2' 99.939 -2.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.202 0 O4'-C1'-N19 111.169 2.969 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.959 0 C4'-C3'-C2' 99.404 -3.296 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 C4'-C3'-C2' 99.695 -3.005 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 C5'-C4'-O4' 113.371 2.98 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 O4'-C1'-N19 111.935 3.735 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-N19 111.216 3.016 . 0.06 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 O4'-C1'-N19 111.543 3.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 100.277 -2.423 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 P-O3'-C3' 121.937 1.864 . 0.345 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 1 O4'-C1'-N19 113.243 5.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 0 N19-C1'-C2' 117.537 2.586 . 0.01 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.158 0 O4'-C1'-N19 111.755 3.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 O4'-C1'-N19 111.98 3.78 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 O4'-C1'-N19 112.0 3.8 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.134 0 C4'-C3'-C2' 99.873 -2.827 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.643 -3.057 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.208 0 O4'-C1'-N19 110.532 2.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C5'-C4'-O4' 113.25 2.893 . 0.063 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.04 0 C4'-C3'-C2' 99.317 -3.383 . 0.119 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.072 0 C4'-C3'-C2' 99.604 -3.096 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C5'-C4'-O4' 112.924 2.66 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C4'-C3'-C2' 99.413 -3.287 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 O4'-C1'-N19 111.412 3.212 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.399 0.143 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 t -153.94 171.51 18.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.967 1.307 . . . . 0.0 111.657 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -139.78 138.62 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.307 1.843 . . . . 0.0 109.225 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.3 167.32 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.614 1.565 . . . . 0.0 111.803 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -149.23 170.56 18.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.041 1.336 . . . . 0.0 112.013 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.49 34.69 0.34 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.966 1.746 . . . . 0.0 113.222 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 51.91 -131.4 2.09 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.972 1.709 . . . . 0.0 111.957 -176.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -140.62 174.89 10.08 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.739 2.015 . . . . 0.0 111.264 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -124.88 27.42 6.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.661 1.584 . . . . 0.0 112.62 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.84 175.75 3.45 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.875 1.67 . . . . 0.0 113.698 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.06 160.3 38.78 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.318 1.847 . . . . 0.0 110.57 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -54.62 134.52 46.89 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.378 1.071 . . . . 0.0 112.883 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.28 -176.56 40.2 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.615 1.103 . . . . 0.0 113.3 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.76 169.17 26.88 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.601 1.572 . . . . 0.0 112.056 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -152.97 150.1 28.88 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.964 -0.727 . . . . 0.0 111.745 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -60.13 -22.65 63.1 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.17 1.388 . . . . 0.0 114.234 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -132.04 142.27 49.5 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.23 1.812 . . . . 0.0 109.361 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mtt85 -132.21 -5.88 3.43 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -172.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 t 59.98 -177.03 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.133 1.773 . . . . 0.0 113.741 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.54 126.25 26.67 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.485 1.114 . . . . 0.0 110.954 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.3 mt -146.05 160.01 42.48 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.455 1.502 . . . . 0.0 112.277 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -157.1 152.87 26.94 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 128.105 2.562 . . . . 0.0 107.176 175.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 mmt-85 -67.0 -9.23 36.62 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.302 -1.499 . . . . 0.0 114.624 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -97.75 9.03 43.63 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.81 1.244 . . . . 0.0 112.04 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -120.49 159.19 25.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.975 1.31 . . . . 0.0 114.5 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.6 t -86.98 128.57 35.07 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.32 1.848 . . . . 0.0 112.557 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -18.98 63.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -93.49 -37.79 11.75 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -175.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.24 -6.07 9.4 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm 68.99 6.42 5.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.12 2.168 . . . . 0.0 115.376 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -68.79 174.6 4.21 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.201 0.91 . . . . 0.0 110.934 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -119.86 162.45 19.1 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.7 -2.18 69.65 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.844 1.688 . . . . 0.0 114.364 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -157.1 173.6 16.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.119 1.768 . . . . 0.0 111.476 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -112.37 165.3 12.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.218 1.807 . . . . 0.0 110.27 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.3 -38.41 52.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.203 1.001 . . . . 0.0 113.208 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.03 -13.99 14.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.468 1.907 . . . . 0.0 113.264 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -132.36 13.61 4.59 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.628 2.371 . . . . 0.0 112.945 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 t -55.2 122.34 42.34 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.988 1.315 . . . . 0.0 114.532 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.88 -36.36 98.88 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.548 2.165 . . . . 0.0 113.653 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -76.06 -22.43 55.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.156 1.382 . . . . 0.0 113.543 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -65.77 139.54 96.97 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 123.932 0.893 . . . . 0.0 112.284 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.14 -33.57 35.97 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 124.398 3.399 . . . . 0.0 116.107 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 41.58 53.98 3.76 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.984 2.113 . . . . 0.0 114.205 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.62 -41.9 0.04 OUTLIER Glycine 0 CA--C 1.54 1.64 0 CA-C-O 117.696 -1.614 . . . . 0.0 115.77 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -59.61 -12.02 1.89 Allowed 'Cis proline' 0 CA--C 1.543 0.94 0 CA-C-N 119.946 1.873 . . . . 0.0 115.633 -28.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -143.72 155.94 44.36 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.099 1.36 . . . . 0.0 111.107 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.35 -178.93 40.42 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.435 1.493 . . . . 0.0 112.676 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -69.03 155.68 67.6 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.464 2.776 . . . . 0.0 112.775 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -150.58 135.76 10.08 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.711 1.604 . . . . 0.0 110.349 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.78 161.87 44.26 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.924 2.416 . . . . 0.0 112.023 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -139.34 143.57 37.86 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.922 1.289 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.5 p -136.2 -4.02 2.16 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.217 1.407 . . . . 0.0 114.593 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.0 m 60.81 176.0 0.1 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.781 2.032 . . . . 0.0 114.911 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 125.338 1.455 . . . . 0.0 111.347 -179.146 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.189 0 C4'-C3'-C2' 99.529 -3.171 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C4'-C3'-C2' 99.542 -3.158 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C4'-C3'-C2' 99.269 -3.431 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 99.042 -3.658 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 111.38 3.18 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.288 0 C3'-C2'-C1' 104.83 3.7 OUTLIER-DELTA 0.221 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.654 4.454 . 0.284 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 N19-C1'-C2' 118.513 3.196 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C3'-C2'-C1' 105.017 3.908 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 P-O3'-C3' 123.574 3.229 . 0.615 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 C4'-C3'-C2' 99.562 -3.138 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 O4'-C1'-N19 111.685 3.485 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 O4'-C1'-N19 111.919 3.719 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.414 ' N6 ' ' C2 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.117 -2.583 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.342 0 O4'-C1'-N19 111.052 2.852 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.372 0 C4'-C3'-C2' 99.8 -2.9 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-O3' 119.766 3.526 OUTLIER-EPSILON 0.01 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.319 2 P-O3'-C3' 126.68 5.817 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 O4'-C1'-C2' 102.657 -2.673 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.414 ' C2 ' ' N6 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 P--O5' 1.623 3.016 0 C4'-C3'-C2' 99.954 -2.746 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.258 0 O4'-C1'-N19 111.933 3.733 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 99.219 -3.481 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.963 0 O4'-C1'-N19 110.78 2.58 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 2 C4'-C3'-C2' 98.492 -4.208 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.28 1 O4'-C1'-N19 112.707 4.507 . 0.4 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.705 3.505 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 O4'-C1'-N19 111.583 3.383 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C1'-N19 111.496 3.296 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.612 -3.088 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 C5'-C4'-O4' 112.719 2.514 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 110.805 2.605 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 111.977 3.777 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C5'-C4'-O4' 113.37 2.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.296 3.096 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 O4'-C1'-N19 110.636 2.436 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C4'-C3'-C2' 100.048 -2.652 . 0.101 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 1 O4'-C1'-N19 112.328 4.128 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 0 C5'-C4'-O4' 112.844 2.603 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.304 -3.396 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 C4'-C3'-C2' 99.456 -3.244 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.829 -2.871 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.5 -3.2 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.044 0 C4'-C3'-C2' 99.508 -3.192 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.114 0 C4'-C3'-C2' 101.051 -1.649 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C3'-C2'-C1' 104.326 3.14 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 P-O3'-C3' 124.033 3.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.706 1 C5'-C4'-O4' 114.933 4.095 . 0.294 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 P-O3'-C3' 122.633 2.444 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 C4'-C3'-C2' 99.194 -3.506 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.163 -3.537 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C4'-C3'-C2' 99.637 -3.063 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C5'-C4'-O4' 113.328 2.949 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 111.794 3.594 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C4'-C3' 108.793 2.352 . 0.164 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 O4'-C1'-N19 111.136 2.936 . 0.076 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 C4'-C3'-C2' 100.24 -2.46 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 O4'-C1'-N19 110.48 2.28 . 0.043 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.262 1 O4'-C1'-N19 112.83 4.63 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.583 0 C4'-C3'-O3' 119.46 3.408 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.349 0 O4'-C1'-N19 111.834 3.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 O4'-C1'-N19 111.831 3.631 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 1 O4'-C1'-N19 112.244 4.044 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 C4'-C3'-C2' 100.27 -2.43 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C4'-C3'-C2' 100.269 -2.431 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 0 O4'-C1'-N19 110.298 2.098 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.176 0 N19-C1'-C2' 116.986 2.241 . 0.13 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 111.033 2.833 . 0.432 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C4'-C3'-C2' 99.008 -3.692 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 C4'-C3'-C2' 99.496 -3.204 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C4'-C3'-C2' 99.313 -3.387 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 O4'-C1'-N19 111.687 3.487 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 120.657 0.265 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -152.61 172.37 16.73 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.151 1.38 . . . . 0.0 111.539 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.9 p -150.44 149.5 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.774 1.63 . . . . 0.0 110.758 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.93 144.76 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.244 1.417 . . . . 0.0 111.102 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -135.38 5.53 3.23 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.085 1.354 . . . . 0.0 114.098 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.51 -178.6 48.69 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.989 1.28 . . . . 0.0 113.067 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -139.8 163.76 31.77 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.431 1.492 . . . . 0.0 111.473 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -146.51 145.18 30.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.575 1.55 . . . . 0.0 111.276 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -149.93 158.89 44.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.601 1.96 . . . . 0.0 109.834 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -138.54 160.2 40.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.609 1.164 . . . . 0.0 111.686 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -138.29 172.34 13.04 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.018 1.727 . . . . 0.0 111.624 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 58.64 17.53 5.14 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.52 1.928 . . . . 0.0 114.832 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.64 9.85 73.27 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.271 1.415 . . . . 0.0 114.302 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.64 179.31 42.74 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.883 2.182 . . . . 0.0 111.398 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 54.44 38.56 29.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.004 1.322 . . . . 0.0 113.114 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -133.95 163.64 29.09 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.899 2.08 . . . . 0.0 111.39 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -140.47 159.81 41.37 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.128 2.171 . . . . 0.0 111.006 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.19 152.62 40.29 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.485 1.114 . . . . 0.0 112.289 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.5 t -152.05 127.01 9.68 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.742 1.617 . . . . 0.0 109.17 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 49.77 54.38 11.14 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.73 1.212 . . . . 0.0 112.228 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.4 mt -132.6 153.64 50.82 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.436 1.494 . . . . 0.0 111.847 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -147.94 149.65 32.6 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.735 2.414 . . . . 0.0 106.505 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -71.76 14.41 0.2 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.476 -1.39 . . . . 0.0 114.221 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.17 6.66 6.47 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.096 2.158 . . . . 0.0 112.356 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -128.39 139.21 52.5 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.202 1.001 . . . . 0.0 113.571 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.17 132.0 50.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.269 1.828 . . . . 0.0 114.015 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.16 -14.62 61.86 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -99.13 -35.67 9.93 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.79 -3.86 5.87 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 69.15 -0.1 2.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.631 2.373 . . . . 0.0 115.33 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.74 146.78 44.68 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.833 1.197 . . . . 0.0 111.977 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -94.63 141.66 28.35 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.78 1.232 . . . . 0.0 111.862 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.95 30.25 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.227 1.394 . . . . 0.0 115.085 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -149.91 169.57 20.84 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.226 1.41 . . . . 0.0 111.478 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -114.41 160.14 19.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.911 1.685 . . . . 0.0 109.733 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.38 -35.79 19.83 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.744 1.618 . . . . 0.0 113.692 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.87 -20.7 6.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.128 1.771 . . . . 0.0 113.877 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -132.39 17.37 4.44 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.749 2.02 . . . . 0.0 113.164 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.8 t -54.01 127.6 54.5 Favored Pre-proline 0 CA--C 1.557 1.226 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -70.15 -16.31 35.9 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.323 2.682 . . . . 0.0 113.459 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -73.67 -22.24 60.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.726 1.21 . . . . 0.0 111.856 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.79 153.64 87.1 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 123.747 0.819 . . . . 0.0 112.779 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -70.95 -8.27 23.25 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 123.821 3.014 . . . . 0.0 114.712 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 51.39 39.45 24.34 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.607 1.963 . . . . 0.0 113.908 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.73 170.6 37.49 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.353 1.454 . . . . 0.0 113.354 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -86.54 -9.74 45.53 Favored 'Cis proline' 0 CA--C 1.541 0.868 0 CA-C-N 118.192 0.996 . . . . 0.0 114.227 28.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -139.83 148.32 41.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.332 1.853 . . . . 0.0 110.225 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.07 -178.85 36.86 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.686 1.136 . . . . 0.0 113.559 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.33 156.91 63.12 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.675 2.917 . . . . 0.0 112.24 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -131.75 151.2 78.17 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.545 1.538 . . . . 0.0 112.246 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.42 173.35 13.95 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.786 2.991 . . . . 0.0 113.17 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -145.51 169.54 18.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.969 1.707 . . . . 0.0 111.618 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 t -150.81 173.0 14.73 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.666 1.186 . . . . 0.0 112.382 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.1 p -134.26 6.75 3.6 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.943 2.097 . . . . 0.0 113.219 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 125.659 1.584 . . . . 0.0 110.899 -179.848 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 0 C4'-C3'-C2' 99.645 -3.055 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 C4'-C3'-C2' 99.52 -3.18 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 O4'-C1'-N19 111.875 3.675 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 O4'-C1'-N19 111.985 3.785 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 111.344 3.144 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 0 C5'-C4'-C3' 111.33 -2.78 OUTLIER-DELTA 0.124 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O4'-C1'-N19 110.974 2.774 . 0.208 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C5'-C4'-O4' 113.445 3.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 2.614 1 C3'-C2'-C1' 106.161 5.179 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C5'-C4'-O4' 113.924 3.374 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 112.019 3.819 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 1 O4'-C1'-N19 112.863 4.663 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.488 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.538 2.137 0 O4'-C1'-N19 111.282 3.082 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.488 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 C4'-C3'-C2' 98.965 -3.735 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 C4'-C3'-C2' 99.84 -2.86 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.419 0 C5'-C4'-C3' 110.252 -3.499 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 O4'-C4'-C3' 108.657 2.255 . 0.01 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.192 1 O4'-C1'-N19 112.711 4.511 . 0.039 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.555 0 C4'-C3'-C2' 99.841 -2.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C4'-C3' 108.002 1.787 . 0.453 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 2 C4'-C3'-C2' 98.474 -4.226 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C4'-C3'-C2' 99.08 -3.62 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.912 0 O4'-C1'-N19 111.457 3.257 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 1 O4'-C1'-N19 112.749 4.549 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 O4'-C1'-N19 112.028 3.828 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 O4'-C1'-N19 110.974 2.774 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 O4'-C1'-N19 111.443 3.243 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.044 0 O4'-C1'-N19 111.618 3.418 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 C4'-C3'-C2' 99.696 -3.004 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.07 2.87 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 O4'-C1'-N19 111.089 2.889 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.73 1 O4'-C1'-N19 112.359 4.159 . 0.579 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 O4'-C1'-N19 110.556 2.356 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 C4'-C3'-C2' 99.798 -2.902 . 0.238 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.506 0 O4'-C1'-N19 111.462 3.262 OUTLIER-DELTA 0.016 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 O4'-C1'-N19 111.991 3.791 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 1 O4'-C1'-N19 113.253 5.053 . 0.304 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C5'-C4'-O4' 113.18 2.843 . 0.636 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.537 -3.163 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 99.059 -3.641 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 0 C4'-C3'-C2' 99.755 -2.945 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C4'-C3'-C2' 99.71 -2.99 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 O4'-C1'-N19 110.745 2.545 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 C5'-C4'-O4' 112.671 2.479 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 O4'-C1'-N19 114.337 6.137 . 0.044 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.026 0 C5'-C4'-C3' 109.936 -3.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.279 0 O4'-C1'-N19 112.138 3.938 . 0.587 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.249 3.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 0 C4'-C3'-C2' 99.515 -3.185 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 99.403 -3.297 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.994 0 C4'-C3'-C2' 99.379 -3.321 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 C5'-C4'-O4' 113.805 3.289 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.508 3.308 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 O4'-C4'-C3' 108.919 2.442 . 0.092 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 111.466 3.266 . 0.054 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 C4'-C3'-C2' 100.622 -2.078 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-O3' 115.971 2.066 . 0.222 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.362 1 O4'-C1'-N19 114.598 6.398 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 N19-C1'-C2' 117.833 2.77 . 0.011 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.852 2 O5'-C5'-C4' 116.9 4.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.755 3.555 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 O4'-C1'-N19 111.968 3.768 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 0 O4'-C1'-N19 110.802 2.602 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.893 -2.807 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.205 0 P-O3'-C3' 121.937 1.865 . 0.01 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 O4'-C4'-C3' 108.691 2.28 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.591 -3.109 . 0.649 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 C4'-C3'-C2' 99.429 -3.271 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 C4'-C3'-C2' 99.578 -3.122 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.687 3.487 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 O4'-C1'-N19 111.677 3.477 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 t -109.32 130.98 55.48 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.843 1.657 . . . . 0.0 111.925 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.23 67.67 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -76.0 -46.3 30.2 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.54 -3.79 10.37 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.8 mppt? 69.38 5.78 5.33 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.705 2.002 . . . . 0.0 115.724 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -68.52 179.06 1.79 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.897 0.879 . . . . 0.0 111.158 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -127.44 163.65 23.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.775 1.23 . . . . 0.0 113.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.65 -3.93 78.85 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.674 1.607 . . . . 0.0 114.094 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -156.21 170.84 21.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.57 1.948 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -114.72 167.92 10.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.08 1.752 . . . . 0.0 110.093 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.46 -38.56 30.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.919 0.887 . . . . 0.0 113.214 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -54.59 -18.55 4.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.524 1.93 . . . . 0.0 114.664 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -132.5 15.88 4.45 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.737 2.015 . . . . 0.0 112.944 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.21 128.26 72.16 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--N 1.355 0.917 0 C-N-CA 123.009 2.473 . . . . 0.0 113.418 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.34 133.7 34.01 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.233 1.413 . . . . 0.0 113.891 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.19 60.76 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -92.47 -40.61 10.74 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.46 -6.84 7.54 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.328 55.4 mttm 67.94 9.51 7.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.111 2.164 . . . . 0.0 115.961 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.44 174.78 3.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 0.0 110.481 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -117.63 160.5 21.19 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.71 67.73 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 126.004 1.764 . . . . 0.0 114.754 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -156.79 175.91 13.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.719 1.608 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -116.45 164.88 13.91 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.591 1.956 . . . . 0.0 109.426 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.37 49.64 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 112.807 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -53.55 -20.38 4.94 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.903 2.081 . . . . 0.0 114.344 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -131.28 16.45 5.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.887 2.075 . . . . 0.0 113.168 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -55.64 126.18 63.26 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo . . . . . 0 C--N 1.356 0.942 0 C-N-CA 123.308 2.672 . . . . 0.0 114.497 176.732 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -88.05 131.15 34.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.792 1.237 . . . . 0.0 112.734 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.79 -16.26 61.63 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -99.9 -30.73 11.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.59 -5.97 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.8 mptt 66.14 8.64 5.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.072 2.149 . . . . 0.0 115.554 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.74 175.2 4.41 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.828 0.851 . . . . 0.0 110.347 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -121.79 164.37 17.57 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.08 -2.59 72.01 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.846 1.689 . . . . 0.0 114.136 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -156.33 172.89 17.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.28 1.832 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -113.4 167.33 10.67 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.237 1.815 . . . . 0.0 109.233 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.83 -34.47 27.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.16 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -57.63 -17.17 13.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.164 2.186 . . . . 0.0 113.635 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -132.16 15.88 4.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.248 2.219 . . . . 0.0 112.185 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.5 t -56.14 125.7 65.0 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.354 0.84 0 C-N-CA 122.957 2.438 . . . . 0.0 113.232 -179.654 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.5 t -94.63 128.17 41.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.746 1.218 . . . . 0.0 112.748 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.71 -4.0 37.91 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -109.23 -29.38 8.53 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.58 -4.04 3.73 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.6 mttp 71.61 4.91 5.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.951 2.1 . . . . 0.0 115.363 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.48 161.26 12.13 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.579 1.081 . . . . 0.0 111.461 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.13 134.67 54.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.364 1.465 . . . . 0.0 110.424 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.15 -5.05 18.07 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.836 1.684 . . . . 0.0 114.704 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -156.51 169.11 25.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.484 1.514 . . . . 0.0 111.773 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -107.86 166.28 10.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.748 1.619 . . . . 0.0 110.804 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.21 45.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.28 -0.887 . . . . 0.0 111.794 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -54.66 -17.44 3.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.019 2.127 . . . . 0.0 113.932 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -128.59 7.4 5.75 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.315 2.246 . . . . 0.0 113.187 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.44 129.13 61.27 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo . . . . . 0 C--N 1.354 0.851 0 C-N-CA 123.123 2.549 . . . . 0.0 113.15 179.771 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -96.1 127.42 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.058 1.343 . . . . 0.0 112.401 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.55 -7.86 55.26 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -100.43 -28.76 12.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -131.72 -3.29 3.7 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 71.78 4.67 5.12 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.037 2.135 . . . . 0.0 114.902 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -71.23 172.34 9.46 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.657 1.117 . . . . 0.0 112.779 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -117.1 149.21 40.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.691 1.997 . . . . 0.0 111.882 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.7 -6.63 55.0 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.387 1.47 . . . . 0.0 115.453 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.7 174.39 14.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.628 1.571 . . . . 0.0 111.431 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -115.55 167.49 10.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.536 1.934 . . . . 0.0 109.909 176.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.05 -35.49 25.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.187 0.995 . . . . 0.0 112.261 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -53.2 -20.5 4.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.316 1.846 . . . . 0.0 114.189 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -132.92 15.73 4.26 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.365 2.266 . . . . 0.0 112.644 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -56.05 127.41 69.47 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--N 1.355 0.869 0 C-N-CA 122.671 2.247 . . . . 0.0 113.146 -178.743 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.37 132.65 46.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.46 1.904 . . . . 0.0 115.135 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.68 -16.27 59.57 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -94.92 -63.06 1.21 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.768 1.227 . . . . 0.0 113.863 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.1 -8.43 25.24 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt 74.84 6.13 4.38 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 127.888 2.475 . . . . 0.0 115.569 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.37 171.48 5.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.21 0.914 . . . . 0.0 112.204 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -114.12 159.46 20.02 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.966 1.307 . . . . 0.0 112.973 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.66 -3.5 68.19 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.639 1.59 . . . . 0.0 114.359 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -158.61 175.76 13.24 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.761 1.624 . . . . 0.0 112.116 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -114.6 163.13 15.84 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 0.0 109.992 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.27 58.98 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.856 1.262 . . . . 0.0 112.18 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -55.1 -18.93 6.24 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.694 1.997 . . . . 0.0 114.048 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -133.07 14.45 4.24 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.332 2.253 . . . . 0.0 112.907 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -56.64 130.22 77.11 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.773 1.229 . . . . 0.0 113.724 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo . . . . . 0 C--N 1.354 0.839 0 C-N-CA 123.213 2.609 . . . . 0.0 113.344 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -91.49 129.53 37.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.074 1.35 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 -1.97 36.34 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -107.89 -31.18 8.11 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.04 -5.16 5.0 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 73.89 -0.89 3.23 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.196 2.198 . . . . 0.0 115.353 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -68.26 174.97 3.54 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.493 1.042 . . . . 0.0 112.102 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -120.22 163.84 17.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.268 1.427 . . . . 0.0 113.839 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.22 -0.5 85.77 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.762 1.648 . . . . 0.0 114.707 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -157.22 175.02 14.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.466 1.506 . . . . 0.0 112.366 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -119.9 167.32 12.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.895 2.078 . . . . 0.0 110.141 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.85 -40.26 20.87 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.686 1.194 . . . . 0.0 113.428 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -55.91 -14.96 2.79 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.112 1.765 . . . . 0.0 114.719 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -132.94 14.11 4.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.11 2.164 . . . . 0.0 112.673 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.53 129.93 80.97 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 124.585 1.154 . . . . 0.0 114.085 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--N 1.355 0.9 0 C-N-CA 123.308 2.672 . . . . 0.0 113.279 -179.866 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -90.57 135.1 33.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.99 1.716 . . . . 0.0 113.218 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.23 61.32 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -90.28 -47.24 7.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -117.07 -6.42 11.38 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.5 mptt 67.53 4.68 3.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.39 2.276 . . . . 0.0 115.457 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.71 167.33 7.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.42 1.009 . . . . 0.0 110.562 171.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -111.16 163.49 13.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.55 -3.85 81.86 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.518 1.533 . . . . 0.0 114.88 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -154.63 172.12 18.39 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.644 1.578 . . . . 0.0 111.594 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -116.06 167.37 11.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.54 1.936 . . . . 0.0 109.973 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.42 29.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.032 1.333 . . . . 0.0 113.162 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.9 -15.24 4.47 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.462 1.905 . . . . 0.0 114.251 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -133.9 14.54 3.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.469 2.308 . . . . 0.0 112.219 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.36 128.03 81.93 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 C--N 1.355 0.901 0 C-N-CA 123.059 2.506 . . . . 0.0 112.84 178.833 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.6 t -86.98 128.57 35.07 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.32 1.848 . . . . 0.0 112.557 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -18.98 63.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -93.49 -37.79 11.75 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -175.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.24 -6.07 9.4 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm 68.99 6.42 5.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.12 2.168 . . . . 0.0 115.376 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -68.79 174.6 4.21 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.201 0.91 . . . . 0.0 110.934 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -119.86 162.45 19.1 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.7 -2.18 69.65 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.844 1.688 . . . . 0.0 114.364 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -157.1 173.6 16.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.119 1.768 . . . . 0.0 111.476 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -112.37 165.3 12.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.218 1.807 . . . . 0.0 110.27 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.3 -38.41 52.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.203 1.001 . . . . 0.0 113.208 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.03 -13.99 14.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.468 1.907 . . . . 0.0 113.264 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -132.36 13.61 4.59 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.628 2.371 . . . . 0.0 112.945 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 t -55.2 122.34 42.34 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.988 1.315 . . . . 0.0 114.532 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--N 1.354 0.841 0 C-N-CA 122.548 2.165 . . . . 0.0 113.653 178.033 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.17 132.0 50.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.269 1.828 . . . . 0.0 114.015 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.16 -14.62 61.86 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -99.13 -35.67 9.93 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.79 -3.86 5.87 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 69.15 -0.1 2.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.631 2.373 . . . . 0.0 115.33 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.74 146.78 44.68 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.833 1.197 . . . . 0.0 111.977 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -94.63 141.66 28.35 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.78 1.232 . . . . 0.0 111.862 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.95 30.25 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.227 1.394 . . . . 0.0 115.085 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -149.91 169.57 20.84 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.226 1.41 . . . . 0.0 111.478 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -114.41 160.14 19.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.911 1.685 . . . . 0.0 109.733 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.38 -35.79 19.83 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.744 1.618 . . . . 0.0 113.692 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.87 -20.7 6.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.128 1.771 . . . . 0.0 113.877 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -132.39 17.37 4.44 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.749 2.02 . . . . 0.0 113.164 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.8 t -54.01 127.6 54.5 Favored Pre-proline 0 CA--C 1.557 1.226 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo . . . . . 0 C--N 1.354 0.856 0 C-N-CA 123.323 2.682 . . . . 0.0 113.459 -178.815 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.441 0.162 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 m -139.0 144.26 38.83 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.295 1.438 . . . . 0.0 110.467 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -149.79 152.02 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.419 1.488 . . . . 0.0 110.62 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.02 162.11 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.85 1.66 . . . . 0.0 111.625 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -62.33 153.39 31.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.779 1.232 . . . . 0.0 113.137 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.09 179.48 48.89 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.527 1.061 . . . . 0.0 113.682 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 60.86 177.61 0.1 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.955 2.102 . . . . 0.0 114.478 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -151.62 151.22 31.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.127 1.771 . . . . 0.0 110.676 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.76 163.21 14.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.559 1.143 . . . . 0.0 112.551 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -59.42 148.43 32.77 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.658 1.183 . . . . 0.0 112.617 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.7 mtm-85 -138.65 162.35 34.86 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.489 1.515 . . . . 0.0 112.059 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -140.92 171.41 14.11 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.145 1.778 . . . . 0.0 111.193 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.01 177.73 41.55 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.579 1.085 . . . . 0.0 113.776 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.0 -26.52 0.18 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.679 1.133 . . . . 0.0 114.301 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.51 174.51 12.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.967 1.707 . . . . 0.0 110.794 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -132.34 27.08 4.47 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.614 1.966 . . . . 0.0 111.529 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.6 ttt-85 53.71 45.2 28.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.242 1.817 . . . . 0.0 111.114 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -136.27 -38.96 0.68 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.552 1.541 . . . . 0.0 113.976 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t 55.98 -166.27 0.12 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.253 1.421 . . . . 0.0 112.687 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.1 143.78 56.47 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.862 -1.149 . . . . 0.0 111.113 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 mt -140.27 161.46 37.62 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.692 1.597 . . . . 0.0 111.427 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -146.69 157.69 43.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.454 1.902 . . . . 0.0 109.108 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -68.15 6.14 0.81 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.529 1.532 . . . . 0.0 114.832 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -108.84 -1.29 19.31 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.541 1.936 . . . . 0.0 112.469 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -107.8 173.43 6.32 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.195 . . . . 0.0 113.672 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 t -109.32 130.98 55.48 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.843 1.657 . . . . 0.0 111.925 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.23 67.67 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -76.0 -46.3 30.2 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.54 -3.79 10.37 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.8 mppt? 69.38 5.78 5.33 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.705 2.002 . . . . 0.0 115.724 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -68.52 179.06 1.79 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.897 0.879 . . . . 0.0 111.158 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -127.44 163.65 23.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.775 1.23 . . . . 0.0 113.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.65 -3.93 78.85 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.674 1.607 . . . . 0.0 114.094 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -156.21 170.84 21.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.57 1.948 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -114.72 167.92 10.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.08 1.752 . . . . 0.0 110.093 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.46 -38.56 30.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.919 0.887 . . . . 0.0 113.214 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -54.59 -18.55 4.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.524 1.93 . . . . 0.0 114.664 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -132.5 15.88 4.45 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.737 2.015 . . . . 0.0 112.944 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.21 128.26 72.16 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.37 -16.14 38.99 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.009 2.473 . . . . 0.0 113.418 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -71.1 -23.73 62.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.486 1.115 . . . . 0.0 112.131 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.23 156.58 89.75 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 123.763 0.825 . . . . 0.0 113.112 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.03 -3.8 11.31 Favored 'Trans proline' 0 CA--C 1.545 1.056 0 C-N-CA 123.962 3.108 . . . . 0.0 114.821 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -75.3 34.85 0.11 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.134 2.174 . . . . 0.0 113.074 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.98 -177.62 46.97 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 127.025 2.25 . . . . 0.0 112.403 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -63.64 -9.25 3.65 Favored 'Cis proline' 0 CA--C 1.545 1.043 0 N-CA-C 115.176 1.183 . . . . 0.0 115.176 -25.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -141.23 152.05 44.26 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.964 1.706 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.83 179.86 45.86 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.562 1.554 . . . . 0.0 112.337 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -73.28 23.83 0.31 Allowed 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 124.958 3.772 . . . . 0.0 116.043 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -158.36 77.21 3.43 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 127.766 2.426 . . . . 0.0 109.967 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.84 -25.05 41.34 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.147 3.232 . . . . 0.0 116.124 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 55.61 21.33 4.44 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.268 1.827 . . . . 0.0 114.719 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -140.18 6.71 2.17 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.655 1.582 . . . . 0.0 113.425 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -153.43 -47.07 0.09 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.211 1.404 . . . . 0.0 111.951 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 126.898 2.079 . . . . 0.0 113.693 178.536 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.167 0 C4'-C3'-C2' 99.555 -3.145 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 C4'-C3'-C2' 99.724 -2.976 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 O4'-C1'-N19 111.449 3.249 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 O4'-C1'-N19 111.518 3.318 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 O4'-C1'-N19 111.327 3.127 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.341 0 O4'-C1'-N19 111.282 3.082 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.23 1 O4'-C1'-N19 113.786 5.586 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.363 3.163 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 110.447 2.247 . 0.306 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.459 1 C5'-C4'-C3' 107.931 -5.046 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 O4'-C1'-N19 111.555 3.355 . 0.943 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 1 O4'-C1'-N19 112.206 4.006 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 0 O4'-C1'-N19 111.417 3.217 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.781 -2.919 . 0.034 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 1 C3'-C2'-C1' 105.275 4.194 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.616 0 C5'-C4'-C3' 109.542 -3.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C5'-C4'-O4' 111.875 1.911 . 0.154 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.579 1 C5'-C4'-O4' 115.167 4.262 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C5'-C4'-C3' 110.847 -3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.68 -3.02 . 0.029 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 1 O4'-C1'-N19 112.294 4.094 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.032 0 C4'-C3'-C2' 99.329 -3.371 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 110.715 2.515 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.74 0 O4'-C1'-N19 112.015 3.815 . 0.914 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 O4'-C1'-N19 112.082 3.882 . 0.606 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.493 3.293 . 0.906 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 O4'-C1'-N19 111.727 3.527 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C4'-C3'-C2' 98.823 -3.877 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 C4'-C3'-C2' 100.182 -2.518 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 O4'-C1'-N19 111.904 3.704 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 O4'-C1'-N19 110.902 2.702 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 O4'-C1'-N19 111.066 2.866 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 C2'-C3'-O3' 118.127 2.545 . 0.912 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 2 P-O3'-C3' 125.799 5.083 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 110.598 -3.268 . 0.046 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 O4'-C1'-N19 110.527 2.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 99.42 -3.28 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 0 O4'-C1'-N19 110.935 2.735 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.086 0 O4'-C1'-N19 111.721 3.521 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C4'-C3'-C2' 99.382 -3.318 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.0 0 C4'-C3'-C2' 99.46 -3.24 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 99.37 -3.33 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.185 0 C4'-C3'-C2' 99.963 -2.737 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C5'-C4'-C3' 111.293 -2.804 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-O4' 112.702 2.501 . 0.222 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 N19-C1'-C2' 117.567 2.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.208 0 O4'-C1'-N19 111.564 3.364 . 0.04 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.813 -2.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.05 0 C4'-C3'-C2' 99.734 -2.966 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 C4'-C3'-C2' 99.39 -3.31 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 O4'-C1'-N19 111.131 2.931 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 C5'-C4'-O4' 113.417 3.012 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 O4'-C1'-N19 111.346 3.146 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C4'-C3' 109.237 2.669 . 0.122 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 1 O4'-C1'-N19 112.634 4.434 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 100.744 -1.956 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C4'-C3'-O3' 115.621 1.931 . 0.37 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 1 O4'-C1'-N19 112.841 4.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.681 0 C4'-C3'-O3' 117.917 2.814 . 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 O4'-C1'-N19 111.919 3.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 O4'-C1'-N19 111.93 3.73 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 112.079 3.879 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C4'-C3'-C2' 100.354 -2.346 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.132 0 O4'-C1'-N19 112.0 3.8 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.278 0 O4'-C1'-N19 110.264 2.064 . 0.071 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C4'-C3' 108.749 2.321 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C4'-C3'-C2' 99.193 -3.507 . 0.319 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 99.234 -3.466 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C4'-C3'-C2' 99.52 -3.18 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 O4'-C1'-N19 111.83 3.63 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.712 3.512 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.559 0.218 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.2 p -142.46 167.78 21.28 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.976 1.71 . . . . 0.0 111.623 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -63.64 156.4 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.395 1.078 . . . . 0.0 112.032 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.92 166.47 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.802 1.241 . . . . 0.0 112.379 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -160.48 171.85 18.28 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.665 1.586 . . . . 0.0 111.882 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.11 174.63 46.93 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.745 1.164 . . . . 0.0 113.209 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 56.26 -171.91 0.07 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 126.245 1.818 . . . . 0.0 114.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -152.49 176.1 12.03 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.546 1.938 . . . . 0.0 112.257 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 60.09 -156.67 0.34 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.22 1.808 . . . . 0.0 113.319 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -135.78 167.98 20.16 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.574 1.95 . . . . 0.0 112.621 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ptm85 -139.81 154.37 47.33 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.439 1.496 . . . . 0.0 112.702 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 60.98 163.48 0.07 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.467 2.307 . . . . 0.0 114.172 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.88 178.07 37.87 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.735 1.636 . . . . 0.0 111.951 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.84 -175.52 42.09 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.284 0.945 . . . . 0.0 113.733 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -149.36 149.43 30.86 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.748 1.619 . . . . 0.0 110.102 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.84 160.51 40.65 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.103 1.361 . . . . 0.0 112.258 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -150.63 177.45 10.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.759 2.024 . . . . 0.0 110.664 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -127.58 172.55 10.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.89 1.276 . . . . 0.0 110.743 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.8 t -154.93 -176.15 5.79 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.587 1.555 . . . . 0.0 111.089 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -54.56 114.09 1.54 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.279 1.432 . . . . 0.0 111.719 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.4 mt -150.52 163.61 38.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.462 1.905 . . . . 0.0 110.522 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -151.41 159.12 44.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 127.73 2.412 . . . . 0.0 106.41 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.3 mmt-85 -72.86 13.44 0.38 Allowed 'General case' 0 N--CA 1.482 1.13 0 O-C-N 120.217 -1.552 . . . . 0.0 114.815 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -121.07 9.3 10.5 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.43 2.292 . . . . 0.0 111.695 173.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -120.53 154.09 35.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.305 1.442 . . . . 0.0 112.657 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.34 133.7 34.01 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.233 1.413 . . . . 0.0 113.891 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.19 60.76 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -92.47 -40.61 10.74 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.46 -6.84 7.54 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.328 55.4 mttm 67.94 9.51 7.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.111 2.164 . . . . 0.0 115.961 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.44 174.78 3.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 0.0 110.481 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -117.63 160.5 21.19 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.71 67.73 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 126.004 1.764 . . . . 0.0 114.754 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -156.79 175.91 13.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.719 1.608 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -116.45 164.88 13.91 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.591 1.956 . . . . 0.0 109.426 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.37 49.64 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 112.807 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -53.55 -20.38 4.94 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.903 2.081 . . . . 0.0 114.344 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -131.28 16.45 5.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.887 2.075 . . . . 0.0 113.168 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -55.64 126.18 63.26 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.39 -26.06 75.93 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 123.308 2.672 . . . . 0.0 114.497 176.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.48 -27.01 68.69 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.67 1.188 . . . . 0.0 112.934 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.62 151.58 95.41 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 124.057 0.943 . . . . 0.0 112.407 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -65.74 127.94 18.93 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.432 2.755 . . . . 0.0 111.08 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -137.52 43.56 2.29 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.165 1.786 . . . . 0.0 111.781 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' H ' ' HA ' ' A' ' 46' ' ' PRO . . . -174.58 -33.3 0.04 OUTLIER Glycine 0 CA--C 1.542 1.721 0 CA-C-O 117.037 -1.979 . . . . 0.0 117.284 -177.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HA ' ' H ' ' A' ' 45' ' ' GLY . 73.8 Cg_endo -57.91 -10.09 1.01 Allowed 'Cis proline' 0 C--N 1.357 1.009 0 CA-C-N 121.113 2.457 . . . . 0.0 116.21 -27.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 54.4 40.25 31.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.486 1.515 . . . . 0.0 112.548 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.32 -169.3 37.61 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 126.134 1.826 . . . . 0.0 112.477 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -66.62 167.0 20.19 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.593 2.862 . . . . 0.0 112.825 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -132.94 150.7 76.37 Favored Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 125.592 1.557 . . . . 0.0 111.905 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.82 171.07 18.13 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.71 2.94 . . . . 0.0 113.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -147.41 166.3 27.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.868 1.667 . . . . 0.0 111.522 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.6 p -139.89 163.09 33.58 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.286 1.434 . . . . 0.0 112.191 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.6 p -140.48 4.64 1.98 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.276 1.431 . . . . 0.0 114.567 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 125.917 1.687 . . . . 0.0 110.612 -179.875 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.165 0 C4'-C3'-C2' 99.602 -3.098 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.622 -3.078 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 O4'-C1'-N19 111.376 3.176 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 111.452 3.252 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.37 0 O4'-C1'-N19 111.651 3.451 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 O4'-C1'-N19 111.701 3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 1 O4'-C1'-N19 112.264 4.064 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 O4'-C1'-N19 112.4 4.2 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 0 C5'-C4'-O4' 112.586 2.419 . 0.027 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.477 0 O4'-C1'-N19 111.639 3.439 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C4'-C3'-C2' 100.105 -2.595 . 0.124 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.25 3.05 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.283 0 O4'-C1'-N19 111.483 3.283 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 O4'-C1'-N19 111.125 2.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.298 0 O4'-C1'-N19 111.273 3.073 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 P-O3'-C3' 123.566 3.221 . 0.01 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 O4'-C1'-N19 111.493 3.293 . 0.096 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.697 1 C5'-C4'-O4' 115.166 4.262 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C4'-C3'-C2' 100.262 -2.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.494 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C4'-C3'-C2' 99.534 -3.166 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 O4'-C1'-N19 112.118 3.918 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 99.182 -3.518 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.03 0 O4'-C1'-N19 111.444 3.244 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 1 C4'-C3'-C2' 98.307 -4.393 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 1 O4'-C1'-N19 112.345 4.145 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 110.962 2.762 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 O4'-C1'-N19 111.238 3.038 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C4'-C3'-C2' 99.183 -3.517 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C4'-C3'-C2' 99.843 -2.857 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 O4'-C1'-N19 111.874 3.674 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 O4'-C1'-N19 110.749 2.549 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 O4'-C1'-N19 111.282 3.082 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 C5'-C4'-O4' 112.174 2.124 . 0.855 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.504 " H2'" H5'' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 111.466 3.266 . 0.875 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.504 H5'' " H2'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.62 2.694 0 C4'-C3'-O3' 116.628 2.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.245 0 C5'-C4'-O4' 113.261 2.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 1 O4'-C1'-N19 112.676 4.476 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.188 0 O4'-C1'-N19 111.245 3.045 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 O4'-C1'-N19 111.658 3.458 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.82 -2.88 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 C4'-C3'-C2' 99.852 -2.848 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 C4'-C3'-C2' 99.219 -3.481 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 C4'-C3'-C2' 100.117 -2.583 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 C5'-C4'-O4' 114.037 3.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . 0.494 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 100.4 -2.3 . 0.398 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 N19-C1'-C2' 117.303 2.44 . 0.053 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.411 0 O4'-C1'-N19 111.638 3.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.791 -2.909 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.994 0 C4'-C3'-C2' 99.33 -3.37 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.046 0 C4'-C3'-C2' 99.493 -3.207 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.96 0 C4'-C3'-C2' 98.792 -3.908 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C5'-C4'-O4' 113.951 3.393 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 111.139 2.939 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 C4'-C3'-C2' 99.967 -2.733 . 0.647 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.455 0 O4'-C1'-N19 111.623 3.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 100.612 -2.088 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 C4'-C3'-O3' 115.892 2.036 . 0.221 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 1 O4'-C1'-N19 112.238 4.038 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.729 0 N19-C1'-C2' 117.763 2.727 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.385 0 O4'-C1'-N19 111.907 3.707 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.869 3.669 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 O4'-C1'-N19 111.9 3.7 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.963 0 C4'-C3'-C2' 100.293 -2.407 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 O4'-C1'-N19 111.228 3.028 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 0 O4'-C1'-N19 110.156 1.956 . 0.09 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O5'-C5'-C4' 114.803 3.288 . 0.288 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 C4'-C3'-C2' 99.897 -2.803 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.57 -3.13 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 99.772 -2.928 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C4'-C3'-C2' 99.266 -3.434 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.891 3.691 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.4 p -140.54 164.08 31.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.762 1.625 . . . . 0.0 111.769 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -129.4 -7.37 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 125.016 1.327 . . . . 0.0 114.401 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 t 54.18 28.51 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 126.473 1.909 . . . . 0.0 114.13 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 m -75.46 47.49 0.39 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.206 1.802 . . . . 0.0 113.483 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.69 -166.34 33.05 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.688 1.137 . . . . 0.0 114.159 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -133.17 160.56 36.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.952 1.701 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -146.57 165.53 29.21 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.19 1.796 . . . . 0.0 110.521 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 62.29 -170.12 0.17 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.857 1.663 . . . . 0.0 112.278 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -145.65 156.62 43.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.352 1.061 . . . . 0.0 112.135 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -7.72 4.74 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 116.505 2.039 . . . . 0.0 116.505 -176.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -124.52 14.65 8.83 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.749 1.619 . . . . 0.0 112.559 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.4 15.06 9.84 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.155 1.359 . . . . 0.0 115.354 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.89 -179.36 42.8 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.228 1.394 . . . . 0.0 113.497 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -151.85 140.58 20.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.006 1.322 . . . . 0.0 112.003 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -62.6 157.57 20.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.125 1.37 . . . . 0.0 113.456 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -146.9 139.72 25.14 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.361 1.464 . . . . 0.0 111.601 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 ttp-105 -160.0 153.82 22.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.387 1.875 . . . . 0.0 110.011 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.0 p -97.51 16.59 19.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.431 1.492 . . . . 0.0 114.894 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 50.38 41.24 24.47 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.388 1.475 . . . . 0.0 112.774 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.266 0.0 OUTLIER -57.57 166.31 1.34 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -177.687 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -131.6 161.12 33.42 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.553 2.341 . . . . 0.0 107.213 174.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.5 mmt-85 -70.78 14.07 0.16 Allowed 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -119.76 5.58 10.98 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.125 2.17 . . . . 0.0 112.098 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -116.57 155.05 29.38 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.068 1.747 . . . . 0.0 112.534 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -88.05 131.15 34.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.792 1.237 . . . . 0.0 112.734 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.79 -16.26 61.63 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -99.9 -30.73 11.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.59 -5.97 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.8 mptt 66.14 8.64 5.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.072 2.149 . . . . 0.0 115.554 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.74 175.2 4.41 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.828 0.851 . . . . 0.0 110.347 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -121.79 164.37 17.57 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.08 -2.59 72.01 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.846 1.689 . . . . 0.0 114.136 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -156.33 172.89 17.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.28 1.832 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -113.4 167.33 10.67 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.237 1.815 . . . . 0.0 109.233 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.83 -34.47 27.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.16 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -57.63 -17.17 13.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.164 2.186 . . . . 0.0 113.635 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -132.16 15.88 4.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.248 2.219 . . . . 0.0 112.185 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.5 t -56.14 125.7 65.0 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.38 -15.73 38.7 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.957 2.438 . . . . 0.0 113.232 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -71.45 -23.55 61.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.38 1.072 . . . . 0.0 112.009 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -75.64 151.13 84.77 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 124.027 0.931 . . . . 0.0 113.017 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.53 178.36 6.32 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.81 3.007 . . . . 0.0 111.867 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.58 30.07 4.97 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.106 1.362 . . . . 0.0 113.582 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.79 -52.07 0.35 Allowed Glycine 0 CA--C 1.538 1.53 0 C-N-CA 126.019 1.771 . . . . 0.0 113.107 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -58.44 -24.21 2.1 Favored 'Cis proline' 0 CA--C 1.543 0.967 0 CA-C-N 118.494 1.147 . . . . 0.0 114.516 -29.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 47.08 33.4 2.35 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 127.076 2.15 . . . . 0.0 115.084 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.35 55.04 0.02 OUTLIER Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.248 1.404 . . . . 0.0 114.608 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.09 157.65 60.86 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.103 2.536 . . . . 0.0 112.054 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -149.65 136.22 10.68 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 125.222 1.409 . . . . 0.0 111.095 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.0 167.36 26.92 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.175 2.583 . . . . 0.0 112.595 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -134.55 -19.3 1.88 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.607 1.163 . . . . 0.0 113.793 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.0 p -141.69 162.95 34.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.71 1.604 . . . . 0.0 111.669 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.2 p -140.27 7.6 2.2 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.234 1.414 . . . . 0.0 114.319 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.471 0.616 0 C-N-CA 126.018 1.727 . . . . 0.0 112.474 -179.428 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 0 C4'-C3'-C2' 99.56 -3.14 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 99.436 -3.264 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 111.69 3.49 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 112.062 3.862 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O4'-C1'-N19 111.915 3.715 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 1 O4'-C1'-N19 112.566 4.366 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 C5'-C4'-C3' 109.781 -3.812 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 1 O4'-C1'-N19 112.265 4.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 1 C5'-C4'-C3' 109.016 -4.323 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 O4'-C1'-N19 111.161 2.961 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 111.119 2.919 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 0 C4'-C3'-C2' 99.495 -3.205 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 100.056 -2.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.343 0 C3'-C2'-C1' 103.861 2.623 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.399 0 C5'-C4'-C3' 109.57 -3.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C4'-C3' 108.677 2.27 . 0.226 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.468 0 C3'-C2'-C1' 104.654 3.505 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . 0.401 " H3'" " H5'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.324 0 N19-C1'-C2' 117.352 2.47 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.459 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 99.223 -3.477 . 0.271 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.097 1 O4'-C1'-N19 112.362 4.162 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C4'-C3'-C2' 99.02 -3.68 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 O4'-C1'-N19 110.952 2.752 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 112.147 3.947 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.126 1 O4'-C1'-N19 112.233 4.033 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.249 3.049 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 O4'-C1'-N19 111.324 3.124 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 99.006 -3.694 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 C4'-C3'-C2' 100.125 -2.575 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 C3'-C2'-C1' 104.603 3.448 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C3'-C2'-C1' 104.118 2.909 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.379 1 O4'-C1'-N19 112.392 4.192 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.361 0 C4'-C3'-C2' 99.174 -3.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 98.935 -3.765 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 99.402 -3.298 . 0.181 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.765 1 O4'-C1'-N19 112.971 4.771 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.143 1 O4'-C1'-N19 113.114 4.914 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C5'-C4'-O4' 112.548 2.392 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C4'-C3'-C2' 99.331 -3.369 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.428 -3.272 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C4'-C3'-C2' 99.787 -2.913 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 C4'-C3'-C2' 99.764 -2.936 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 C4'-C3'-C2' 100.504 -2.196 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 100.61 -2.09 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . 0.459 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.711 0 C3'-C2'-C1' 105.077 3.975 . 0.217 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 1 P-O3'-C3' 124.632 4.11 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 P-O3'-C3' 124.688 4.156 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.004 0 O4'-C1'-N19 111.964 3.764 . 0.403 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.236 0 O4'-C1'-N19 111.682 3.482 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C4'-C3'-C2' 99.573 -3.127 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.94 0 C4'-C3'-C2' 98.725 -3.975 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C5'-C4'-O4' 113.546 3.105 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.384 1 O4'-C1'-N19 112.799 4.599 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 N19-C1'-C2' 116.564 1.978 . 0.471 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.687 0 O4'-C1'-N19 111.492 3.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 P-O3'-C3' 123.395 3.079 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 110.681 2.481 . 0.136 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.182 1 O4'-C1'-N19 113.288 5.088 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.627 0 C4'-C3'-O3' 118.443 3.016 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.392 0 O4'-C1'-N19 111.515 3.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 O4'-C1'-N19 111.415 3.215 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 98.966 -3.734 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.962 0 C4'-C3'-C2' 99.444 -3.256 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 C4'-C3'-C2' 99.077 -3.623 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 110.422 2.222 . 0.01 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.499 -3.201 . 0.114 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 1 C4'-C3'-C2' 98.676 -4.024 . 0.638 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C4'-C3'-C2' 99.243 -3.457 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 99.535 -3.165 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 O4'-C1'-N19 111.664 3.464 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.834 3.634 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.629 0.252 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 p -138.79 166.33 24.7 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.783 1.633 . . . . 0.0 111.451 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 t 48.7 33.18 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 126.292 1.837 . . . . 0.0 113.471 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 t 53.0 28.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 126.422 1.889 . . . . 0.0 113.199 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 p -64.95 -20.15 66.32 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.22 169.57 38.55 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.334 1.445 . . . . 0.0 112.998 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -156.73 155.43 31.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.145 1.378 . . . . 0.0 111.992 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -147.91 15.98 1.08 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -126.8 3.45 6.67 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.334 1.454 . . . . 0.0 113.417 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.82 -9.66 58.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.703 1.601 . . . . 0.0 113.565 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -150.35 174.64 12.64 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.121 2.168 . . . . 0.0 111.762 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -143.4 155.59 44.44 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.288 1.435 . . . . 0.0 111.269 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.58 179.96 39.02 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.161 1.363 . . . . 0.0 113.359 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.03 18.53 0.02 OUTLIER Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.731 1.158 . . . . 0.0 115.247 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -84.28 13.88 4.89 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.894 2.078 . . . . 0.0 115.399 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -132.59 159.19 40.22 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.154 1.381 . . . . 0.0 113.182 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -144.05 177.97 8.2 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.667 2.387 . . . . 0.0 109.972 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -47.27 -39.51 14.59 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.369 1.468 . . . . 0.0 114.261 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 t 65.75 -58.57 0.31 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.885 2.474 . . . . 0.0 114.25 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -169.04 133.59 1.48 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 127.027 2.131 . . . . 0.0 109.508 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt -143.27 -178.17 5.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.712 1.605 . . . . 0.0 109.68 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -152.95 155.43 36.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.318 1.847 . . . . 0.0 106.66 173.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 1.71 2.62 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -176.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -120.2 3.8 10.86 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.527 1.931 . . . . 0.0 113.173 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -100.56 158.59 15.82 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.198 0.908 . . . . 0.0 112.338 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.5 t -94.63 128.17 41.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.746 1.218 . . . . 0.0 112.748 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.71 -4.0 37.91 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -109.23 -29.38 8.53 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.58 -4.04 3.73 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.6 mttp 71.61 4.91 5.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.951 2.1 . . . . 0.0 115.363 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.48 161.26 12.13 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.579 1.081 . . . . 0.0 111.461 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.13 134.67 54.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.364 1.465 . . . . 0.0 110.424 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.15 -5.05 18.07 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.836 1.684 . . . . 0.0 114.704 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -156.51 169.11 25.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.484 1.514 . . . . 0.0 111.773 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -107.86 166.28 10.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.748 1.619 . . . . 0.0 110.804 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.21 45.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.28 -0.887 . . . . 0.0 111.794 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -54.66 -17.44 3.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.019 2.127 . . . . 0.0 113.932 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -128.59 7.4 5.75 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.315 2.246 . . . . 0.0 113.187 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.44 129.13 61.27 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -69.19 -17.23 40.28 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.123 2.549 . . . . 0.0 113.15 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -71.07 -21.41 62.24 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.835 0.743 . . . . 0.0 112.119 175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.15 144.18 71.09 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 123.645 0.778 . . . . 0.0 111.9 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.9 -18.53 31.58 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.152 2.568 . . . . 0.0 113.521 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -68.8 155.59 39.9 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.244 1.418 . . . . 0.0 112.213 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.79 -179.44 36.46 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 125.084 1.326 . . . . 0.0 113.707 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -61.62 156.81 57.53 Favored 'Cis proline' 0 CA--C 1.544 0.981 0 C-N-CA 125.031 -0.82 . . . . 0.0 113.807 -27.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.93 162.19 36.84 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.887 2.075 . . . . 0.0 111.322 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.51 -161.87 24.45 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.558 1.075 . . . . 0.0 113.448 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -63.14 157.11 51.18 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.059 2.506 . . . . 0.0 113.392 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -136.47 74.77 52.97 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 126.737 2.015 . . . . 0.0 110.503 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.24 159.65 7.65 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 124.257 3.304 . . . . 0.0 114.73 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -91.45 16.99 9.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.34 1.456 . . . . 0.0 113.07 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 m 54.67 28.94 10.73 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.115 1.766 . . . . 0.0 113.154 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.0 p -157.72 166.44 32.77 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.301 1.841 . . . . 0.0 111.642 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 tp . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.206 1.402 . . . . 0.0 111.303 -179.686 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.094 0 C4'-C3'-C2' 99.58 -3.12 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C4'-C3'-C2' 99.56 -3.14 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.979 3.779 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 O4'-C1'-N19 111.747 3.547 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.648 3.448 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.376 1 O4'-C1'-N19 112.541 4.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.393 1 O4'-C1'-N19 112.305 4.105 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C5'-C4'-C3' 110.637 -3.242 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.592 0 C5'-C4'-O4' 112.991 2.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.099 0 C5'-C4'-C3' 110.544 -3.304 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 O4'-C1'-N19 111.516 3.316 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 112.017 3.817 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.966 0 O4'-C1'-N19 112.032 3.832 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 C4'-C3'-C2' 99.691 -3.009 . 0.01 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.365 0 O4'-C1'-N19 110.519 2.319 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.188 0 C5'-C4'-C3' 109.647 -3.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C4'-C3' 108.613 2.224 . 0.618 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.456 1 O4'-C1'-N19 113.006 4.806 . 0.015 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C5'-C4'-C3' 110.427 -3.382 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.624 0 C4'-C3'-C2' 99.737 -2.963 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.944 3.744 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.964 0 C4'-C3'-C2' 99.043 -3.657 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.974 0 O4'-C1'-N19 111.022 2.822 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 1 C4'-C3'-C2' 98.407 -4.293 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 1 O4'-C1'-N19 112.411 4.211 . 0.405 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 O4'-C1'-N19 111.434 3.234 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 O4'-C1'-N19 111.617 3.417 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 O4'-C1'-N19 111.37 3.17 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 99.273 -3.427 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 O4'-C1'-N19 111.925 3.725 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 0 O4'-C1'-N19 111.607 3.407 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 110.806 2.606 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.227 0 C4'-C3'-C2' 99.418 -3.282 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.507 0 C3'-C2'-C1' 103.875 2.639 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C5'-C4'-O4' 113.931 3.38 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 O4'-C1'-N19 112.236 4.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.104 1 O4'-C1'-N19 112.707 4.507 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 111.094 2.894 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 99.351 -3.349 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 99.21 -3.49 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.973 0 C4'-C3'-C2' 99.689 -3.011 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 99.961 -2.739 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.328 0 C5'-C4'-O4' 112.484 2.345 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C2'-C3'-O3' 116.496 1.963 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C3'-C2'-C1' 104.438 3.265 . 0.545 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.106 -3.594 . 0.07 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.245 3.045 . 0.109 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 0 C5'-C4'-O4' 114.753 3.966 . 0.034 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 111.895 3.695 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.605 -3.095 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 C4'-C3'-C2' 99.116 -3.584 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-O4' 114.37 3.693 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . 0.46 " H2'" ' C5 ' ' B' ' 55' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.563 3.363 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . 0.46 ' C5 ' " H2'" ' B' ' 54' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 100.28 -2.42 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 112.147 3.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.134 0 O4'-C1'-N19 111.208 3.008 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.61 3.41 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.019 2 O4'-C1'-N19 113.642 5.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 N19-C1'-C2' 117.12 2.325 . 0.01 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.53 1 O5'-C5'-C4' 117.119 4.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 O4'-C1'-N19 111.873 3.673 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 1 O4'-C1'-N19 112.245 4.045 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 O4'-C1'-N19 111.305 3.105 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C5'-C4'-O4' 113.006 2.719 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 C5'-C4'-O4' 111.731 1.808 . 0.223 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 O4'-C4'-C3' 109.031 2.522 . 0.553 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 99.64 -3.06 . 0.242 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 C4'-C3'-C2' 99.206 -3.494 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C4'-C3'-C2' 99.442 -3.258 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 O4'-C1'-N19 111.955 3.755 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 O4'-C1'-N19 111.96 3.76 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.312 0.101 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.0 p -129.55 -6.26 4.69 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.049 1.339 . . . . 0.0 114.314 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.6 m -143.94 165.59 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 126.378 1.871 . . . . 0.0 111.328 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.8 t -138.51 135.31 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.62 1.568 . . . . 0.0 109.34 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -143.94 158.19 43.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.192 1.397 . . . . 0.0 112.173 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.85 18.73 0.15 Allowed Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.348 0.975 . . . . 0.0 115.347 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.17 149.91 40.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.396 1.478 . . . . 0.0 112.312 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -134.13 173.27 11.78 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.961 1.704 . . . . 0.0 111.584 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -143.76 175.67 9.82 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.948 1.299 . . . . 0.0 113.084 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -139.69 167.36 22.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.452 1.901 . . . . 0.0 111.44 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -132.02 137.82 47.99 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.026 1.33 . . . . 0.0 110.831 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -135.54 9.99 3.42 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.485 1.514 . . . . 0.0 113.164 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.76 -175.8 47.72 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.615 1.579 . . . . 0.0 112.336 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.3 47.01 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 123.787 0.708 . . . . 0.0 114.461 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.22 164.1 39.08 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.459 1.904 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm-85 -134.69 2.43 3.18 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.906 1.282 . . . . 0.0 114.155 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -45.02 -30.18 0.99 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.104 2.162 . . . . 0.0 116.371 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -116.81 15.48 15.32 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.138 1.775 . . . . 0.0 113.972 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t 61.06 178.33 0.11 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.247 2.219 . . . . 0.0 113.54 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -84.33 36.89 0.6 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.749 1.619 . . . . 0.0 112.161 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.9 160.25 23.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.408 1.483 . . . . 0.0 114.253 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -154.32 163.83 39.54 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 128.997 2.919 . . . . 0.0 106.312 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 mmt-85 -72.09 17.29 0.1 Allowed 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.161 -1.587 . . . . 0.0 114.37 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -117.68 2.46 12.29 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 129.609 3.164 . . . . 0.0 111.658 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -125.54 164.53 20.31 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.493 1.517 . . . . 0.0 112.834 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -96.1 127.42 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.058 1.343 . . . . 0.0 112.401 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.55 -7.86 55.26 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -100.43 -28.76 12.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -131.72 -3.29 3.7 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 71.78 4.67 5.12 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.037 2.135 . . . . 0.0 114.902 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -71.23 172.34 9.46 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.657 1.117 . . . . 0.0 112.779 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -117.1 149.21 40.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.691 1.997 . . . . 0.0 111.882 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.7 -6.63 55.0 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.387 1.47 . . . . 0.0 115.453 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.7 174.39 14.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.628 1.571 . . . . 0.0 111.431 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -115.55 167.49 10.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.536 1.934 . . . . 0.0 109.909 176.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.05 -35.49 25.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.187 0.995 . . . . 0.0 112.261 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -53.2 -20.5 4.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.316 1.846 . . . . 0.0 114.189 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -132.92 15.73 4.26 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.365 2.266 . . . . 0.0 112.644 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -56.05 127.41 69.47 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -66.97 -20.36 51.08 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.671 2.247 . . . . 0.0 113.146 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -72.49 -21.54 61.19 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 177.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.99 151.86 97.08 Favored Pre-proline 0 N--CA 1.478 0.926 0 CA-C-N 119.278 0.945 . . . . 0.0 111.95 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.15 -9.56 24.63 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.236 2.624 . . . . 0.0 114.511 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -65.18 151.2 46.71 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.761 1.224 . . . . 0.0 112.319 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.06 -37.63 0.19 Allowed Glycine 0 CA--C 1.542 1.747 0 CA-C-O 117.286 -1.841 . . . . 0.0 115.445 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -52.62 170.45 3.19 Favored 'Cis proline' 0 CA--C 1.542 0.921 0 CA-C-N 120.122 1.961 . . . . 0.0 114.295 -29.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -138.8 168.45 19.79 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.152 1.781 . . . . 0.0 111.365 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.03 175.27 52.49 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 124.111 0.862 . . . . 0.0 113.632 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.83 168.14 22.51 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 123.76 2.973 . . . . 0.0 112.903 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 44.09 77.48 0.45 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 127.52 2.328 . . . . 0.0 114.26 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.09 170.75 16.24 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 123.61 2.873 . . . . 0.0 112.36 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -119.62 10.55 11.78 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 t -139.6 4.73 2.17 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.147 1.379 . . . . 0.0 113.447 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -151.97 169.53 22.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.801 1.64 . . . . 0.0 111.714 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 N--CA 1.47 0.567 0 C-N-CA 125.385 1.474 . . . . 0.0 112.551 -179.511 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C4'-C3'-C2' 99.914 -2.786 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 99.954 -2.746 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C4'-C3'-C2' 100.064 -2.636 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C4'-C3'-C2' 98.916 -3.784 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 O4'-C1'-N19 111.704 3.504 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.871 3.671 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 O4'-C1'-N19 112.071 3.871 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.033 0 C3'-C2'-C1' 104.205 3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.068 -3.632 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 2 C5'-C4'-C3' 108.024 -4.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 O4'-C1'-N19 111.699 3.499 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 1 O4'-C1'-N19 112.631 4.431 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 C3'-C2'-C1' 104.896 3.773 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . 0.425 ' N6 ' ' C2 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.885 1 O5'-C5'-C4' 116.255 4.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.528 0 C3'-C2'-C1' 103.758 2.509 . 0.214 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.121 0 O5'-C5'-C4' 115.781 3.987 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C5'-C4'-O4' 111.988 1.991 . 0.573 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.498 0 O4'-C1'-N19 112.141 3.941 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.808 0 O5'-C5'-C4' 114.024 2.732 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.425 ' C2 ' ' N6 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C5'-C4'-O4' 113.27 2.907 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 O4'-C1'-N19 111.978 3.778 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 C4'-C3'-C2' 99.165 -3.535 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 O4'-C1'-N19 110.722 2.522 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 1 O4'-C1'-N19 112.209 4.009 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 1 O4'-C1'-N19 112.62 4.42 . 0.449 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 O4'-C1'-N19 111.442 3.242 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 111.705 3.505 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 O4'-C1'-N19 111.755 3.555 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C4'-C3'-C2' 99.744 -2.956 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.789 3.589 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 0 O4'-C1'-N19 111.737 3.537 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 C4'-C3'-C2' 99.7 -3.0 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C5'-C4'-O4' 111.772 1.837 . 0.708 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 C5'-C4'-O4' 112.071 2.051 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 99.431 -3.269 . 0.397 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 O4'-C1'-N19 110.998 2.798 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 1 O4'-C1'-N19 113.332 5.132 . 0.042 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.163 0 C5'-C4'-O4' 113.649 3.178 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.339 -3.361 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 0 C4'-C3'-C2' 99.412 -3.288 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 C4'-C3'-C2' 99.738 -2.962 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.485 -3.215 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 99.838 -2.862 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C5'-C4'-O4' 113.66 3.185 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C3'-C2'-C1' 103.524 2.249 . 0.496 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O5'-C5'-C4' 114.863 3.331 OUTLIER-EPSILON 0.231 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 1 P-O3'-C3' 125.312 4.677 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 99.908 -2.792 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 O4'-C1'-N19 111.244 3.044 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 0 C4'-C3'-C2' 99.301 -3.399 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 C4'-C3'-C2' 98.902 -3.798 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C5'-C4'-O4' 113.841 3.315 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.611 3.411 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 C4'-C3'-C2' 99.595 -3.105 . 0.604 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 111.974 3.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 100.978 -1.722 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 O5'-C5'-C4' 113.01 2.007 . 0.204 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.105 1 O4'-C1'-N19 112.834 4.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 0 O4'-C1'-N19 111.775 3.575 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C4'-C3'-C2' 99.193 -3.507 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 O4'-C1'-N19 111.883 3.683 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.943 0 C4'-C3'-C2' 99.793 -2.907 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 C4'-C3'-C2' 99.289 -3.411 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C4'-C3'-C2' 99.326 -3.374 . 0.131 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C4'-C3'-C2' 100.095 -2.605 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O5'-C5'-C4' 113.752 2.537 . 0.331 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C4'-C3'-C2' 99.383 -3.317 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 99.825 -2.875 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 C4'-C3'-C2' 99.49 -3.21 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.59 3.39 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.522 0.201 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.3 p -140.72 163.87 31.74 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.729 1.612 . . . . 0.0 111.919 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -141.63 164.74 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.102 1.761 . . . . 0.0 111.393 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 p -150.24 148.25 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.111 1.364 . . . . 0.0 111.071 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -157.93 157.34 32.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.307 1.443 . . . . 0.0 111.395 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.61 -178.93 36.41 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.985 1.279 . . . . 0.0 113.794 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -146.41 131.07 17.88 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.529 1.532 . . . . 0.0 109.613 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.29 152.73 40.31 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.646 1.178 . . . . 0.0 113.161 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -145.22 163.23 35.05 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.354 1.861 . . . . 0.0 111.029 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -135.37 6.22 3.27 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.656 1.182 . . . . 0.0 113.47 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 47.18 34.92 3.26 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.825 2.05 . . . . 0.0 114.337 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -155.32 134.59 12.38 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.847 1.659 . . . . 0.0 109.783 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.65 170.46 32.46 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.569 1.08 . . . . 0.0 113.189 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.16 176.46 14.72 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.159 1.362 . . . . 0.0 113.314 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -154.32 154.08 32.75 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.131 1.372 . . . . 0.0 110.566 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -152.48 163.25 39.92 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.85 1.26 . . . . 0.0 113.389 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -148.38 120.86 8.5 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.963 1.705 . . . . 0.0 111.301 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -162.88 160.22 24.73 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 127.008 2.123 . . . . 0.0 109.151 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -129.84 51.11 2.11 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.804 1.241 . . . . 0.0 112.113 -177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 49.83 50.97 17.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.996 1.718 . . . . 0.0 112.824 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.24 166.36 2.99 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 123.226 1.488 . . . . 0.0 114.191 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -140.78 143.44 34.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.704 2.802 . . . . 0.0 106.528 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -64.24 2.45 0.58 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -126.73 15.28 7.53 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.514 1.926 . . . . 0.0 113.168 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -127.99 139.06 52.78 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 121.075 -1.015 . . . . 0.0 113.379 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.37 132.65 46.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.46 1.904 . . . . 0.0 115.135 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.68 -16.27 59.57 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -94.92 -63.06 1.21 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.768 1.227 . . . . 0.0 113.863 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.1 -8.43 25.24 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt 74.84 6.13 4.38 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 127.888 2.475 . . . . 0.0 115.569 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.37 171.48 5.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.21 0.914 . . . . 0.0 112.204 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -114.12 159.46 20.02 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.966 1.307 . . . . 0.0 112.973 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.66 -3.5 68.19 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.639 1.59 . . . . 0.0 114.359 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -158.61 175.76 13.24 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.761 1.624 . . . . 0.0 112.116 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -114.6 163.13 15.84 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 0.0 109.992 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.27 58.98 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.856 1.262 . . . . 0.0 112.18 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -55.1 -18.93 6.24 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.694 1.997 . . . . 0.0 114.048 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -133.07 14.45 4.24 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.332 2.253 . . . . 0.0 112.907 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -56.64 130.22 77.11 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.773 1.229 . . . . 0.0 113.724 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -70.77 -11.75 29.97 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.213 2.609 . . . . 0.0 113.344 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -102.0 -6.62 23.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.999 1.72 . . . . 0.0 112.323 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.96 136.18 96.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 118.184 -0.912 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.14 161.37 6.86 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.542 2.828 . . . . 0.0 113.475 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -112.63 28.94 8.35 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.987 1.315 . . . . 0.0 113.084 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.02 -25.35 69.29 Favored Glycine 0 CA--C 1.545 1.935 0 CA-C-O 116.677 -2.179 . . . . 0.0 116.786 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -51.55 -25.78 0.45 Allowed 'Cis proline' 0 C--N 1.36 1.156 0 CA-C-N 121.655 2.728 . . . . 0.0 115.443 -26.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 67.29 162.91 0.19 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.371 2.268 . . . . 0.0 113.805 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.52 65.11 0.11 Allowed Glycine 0 CA--C 1.538 1.523 0 CA-C-O 118.317 -1.268 . . . . 0.0 113.911 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.44 155.96 33.44 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.485 2.79 . . . . 0.0 113.283 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -66.46 145.19 98.94 Favored Pre-proline 0 N--CA 1.477 0.924 0 C-N-CA 123.178 0.591 . . . . 0.0 111.169 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.2 146.98 59.02 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.804 2.336 . . . . 0.0 112.133 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -143.11 3.96 1.4 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m 42.27 40.49 1.8 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 126.607 1.963 . . . . 0.0 114.114 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.8 m 56.93 14.87 2.04 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.596 1.958 . . . . 0.0 116.007 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 127.331 2.252 . . . . 0.0 114.357 -179.593 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.252 0 C4'-C3'-C2' 99.634 -3.066 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.695 -3.005 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.292 -3.408 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 O4'-C1'-N19 111.995 3.795 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 1 O4'-C1'-N19 112.333 4.133 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-O3' 119.057 3.253 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.232 3 P-O3'-C3' 125.333 4.695 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.503 1 P-O3'-C3' 126.423 5.602 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 2 O4'-C1'-N19 113.017 4.817 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.894 2 C5'-C4'-C3' 107.812 -5.125 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 C4'-C3'-C2' 99.802 -2.898 . 0.268 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 111.123 2.923 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.423 0 O4'-C1'-N19 111.567 3.367 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C4'-C3'-C2' 99.317 -3.383 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 C5'-C4'-O4' 113.379 2.985 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 0 O4'-C1'-N19 111.492 3.292 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C5'-C4'-O4' 113.563 3.117 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.477 1 O4'-C1'-N19 113.324 5.124 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 N19-C1'-C2' 118.778 3.361 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.429 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.624 3.09 0 C4'-C3'-C2' 99.748 -2.952 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 O4'-C1'-N19 112.029 3.829 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C4'-C3'-C2' 99.257 -3.443 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.928 0 C5'-C4'-O4' 112.814 2.581 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.072 2 C4'-C3'-C2' 98.165 -4.535 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.272 1 O4'-C1'-N19 112.467 4.267 . 0.333 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 O4'-C1'-N19 111.194 2.994 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 111.413 3.213 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C4'-C3'-C2' 99.252 -3.448 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C4'-C3'-C2' 99.519 -3.181 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 O4'-C1'-N19 111.832 3.632 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.721 3.521 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.795 -2.905 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C5'-C4'-O4' 112.285 2.204 . 0.749 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-O4' 112.609 2.435 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.372 0 O4'-C1'-N19 111.136 2.936 . 0.167 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C4'-C3'-C2' 99.322 -3.378 . 0.01 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.497 " H2'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.537 2.056 1 C4'-C3'-C2' 98.313 -4.387 . 0.581 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.497 ' C8 ' " H2'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C4'-C3'-C2' 99.621 -3.079 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 O4'-C1'-N19 111.714 3.514 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.615 -3.085 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C4'-C3'-C2' 99.816 -2.884 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.611 -3.089 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 0 O4'-C1'-N19 111.179 2.979 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C5'-C4'-O4' 113.553 3.109 . 0.252 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . 0.429 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C4'-C3' 109.148 2.606 . 0.453 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 P-O3'-C3' 122.788 2.574 . 0.76 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.842 0 O4'-C1'-N19 111.527 3.327 . 0.157 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 P-O3'-C3' 123.513 3.177 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 110.78 2.58 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.42 -3.28 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.982 0 C4'-C3'-C2' 99.405 -3.295 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C5'-C4'-O4' 113.358 2.97 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 111.659 3.459 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 110.771 2.571 . 0.143 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.826 3.626 . 0.037 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 C4'-C3'-C2' 99.427 -3.273 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 1 O4'-C1'-N19 112.359 4.159 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 1 O4'-C1'-N19 113.516 5.316 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 O4'-C1'-N19 112.914 4.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 1 O4'-C1'-N19 112.5 4.3 . 0.291 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 C4'-C3'-C2' 99.15 -3.55 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 O4'-C1'-N19 111.834 3.634 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 110.927 2.727 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.148 0 O4'-C1'-N19 111.331 3.131 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 100.666 -2.034 . 0.194 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 100.983 -1.717 . 0.424 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 C4'-C3'-C2' 99.724 -2.976 . 0.13 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C4'-C3'-C2' 99.363 -3.337 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.651 -3.049 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.301 -3.399 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 111.786 3.586 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.602 0.239 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.8 p -72.34 168.06 19.16 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.517 1.127 . . . . 0.0 112.349 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 t -72.94 -22.08 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.116 0.967 . . . . 0.0 112.676 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.4 t 69.34 -4.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 127.181 2.192 . . . . 0.0 113.302 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 m -135.12 11.33 3.57 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.811 2.044 . . . . 0.0 112.281 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.64 -179.75 42.48 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.055 1.788 . . . . 0.0 112.466 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -149.44 -20.27 0.28 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.12 1.368 . . . . 0.0 113.862 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -136.93 -3.02 2.05 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.545 1.538 . . . . 0.0 114.535 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -77.1 160.45 29.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.955 2.102 . . . . 0.0 112.182 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -132.39 10.0 4.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.337 1.455 . . . . 0.0 113.255 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -150.61 170.27 19.56 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.752 1.621 . . . . 0.0 112.788 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -132.45 20.79 4.33 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.946 1.698 . . . . 0.0 112.065 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.1 -172.12 30.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 126.149 1.833 . . . . 0.0 112.261 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.55 -173.49 37.13 Favored Glycine 0 CA--C 1.535 1.313 0 O-C-N 121.887 -0.772 . . . . 0.0 114.919 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -145.52 163.38 34.9 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.468 1.907 . . . . 0.0 110.449 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -129.72 149.22 51.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.12 1.368 . . . . 0.0 113.277 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.3 -26.58 61.09 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.774 1.629 . . . . 0.0 114.887 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -58.46 -25.82 62.68 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.336 1.455 . . . . 0.0 114.049 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.9 m 41.78 52.0 4.07 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.752 1.621 . . . . 0.0 113.071 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 68.26 125.42 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.484 2.714 . . . . 0.0 113.437 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.3 mt -147.22 162.47 38.84 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.586 1.554 . . . . 0.0 111.384 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -150.72 152.2 33.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.243 2.217 . . . . 0.0 107.425 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -7.97 25.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -109.33 12.1 24.92 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.064 1.746 . . . . 0.0 112.393 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -114.55 160.79 18.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.646 1.178 . . . . 0.0 112.554 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -91.49 129.53 37.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.074 1.35 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 -1.97 36.34 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -107.89 -31.18 8.11 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.04 -5.16 5.0 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 73.89 -0.89 3.23 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.196 2.198 . . . . 0.0 115.353 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -68.26 174.97 3.54 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.493 1.042 . . . . 0.0 112.102 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -120.22 163.84 17.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.268 1.427 . . . . 0.0 113.839 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.22 -0.5 85.77 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.762 1.648 . . . . 0.0 114.707 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -157.22 175.02 14.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.466 1.506 . . . . 0.0 112.366 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -119.9 167.32 12.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.895 2.078 . . . . 0.0 110.141 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.85 -40.26 20.87 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.686 1.194 . . . . 0.0 113.428 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -55.91 -14.96 2.79 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.112 1.765 . . . . 0.0 114.719 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -132.94 14.11 4.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.11 2.164 . . . . 0.0 112.673 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.53 129.93 80.97 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 124.585 1.154 . . . . 0.0 114.085 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.32 -13.96 39.04 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.308 2.672 . . . . 0.0 113.279 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -108.05 20.71 18.36 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.307 1.043 . . . . 0.0 113.485 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -127.87 134.13 25.88 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.202 1.401 . . . . 0.0 110.901 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.21 153.13 34.76 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.791 2.327 . . . . 0.0 112.625 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -145.23 177.28 8.92 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.416 1.087 . . . . 0.0 112.599 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.501 ' H ' ' HA ' ' A' ' 46' ' ' PRO . . . -172.49 -58.06 0.05 OUTLIER Glycine 0 CA--C 1.542 1.754 0 CA-C-O 117.198 -1.89 . . . . 0.0 116.075 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.501 ' HA ' ' H ' ' A' ' 45' ' ' GLY . 60.0 Cg_endo -80.4 173.76 51.04 Favored 'Cis proline' 0 CA--C 1.543 0.952 0 CA-C-N 120.962 2.381 . . . . 0.0 113.526 26.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -139.12 153.34 47.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.076 1.75 . . . . 0.0 110.159 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.65 -167.47 12.64 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.629 1.585 . . . . 0.0 113.235 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.75 170.6 17.37 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.774 2.983 . . . . 0.0 112.586 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -63.77 149.02 93.7 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.258 1.023 . . . . 0.0 111.917 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -67.65 155.51 69.78 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 122.441 2.094 . . . . 0.0 110.486 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -143.38 148.94 36.99 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.695 0.798 . . . . 0.0 112.351 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.8 p -64.06 140.21 58.85 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.098 1.359 . . . . 0.0 111.666 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 t -159.8 -156.17 0.49 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.016 1.326 . . . . 0.0 110.641 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.4 mt . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 126.194 1.798 . . . . 0.0 111.837 -179.337 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 99.597 -3.103 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 C4'-C3'-C2' 99.506 -3.194 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.007 0 O4'-C1'-N19 111.798 3.598 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 O4'-C1'-N19 111.833 3.633 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 O4'-C1'-N19 112.016 3.816 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.276 1 C3'-C2'-C1' 105.381 4.312 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 1 O4'-C1'-N19 113.112 4.912 . 0.627 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C5'-C4'-C3' 111.619 -2.588 . 0.02 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.405 " H3'" " H5'" ' B' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.023 1 C5'-C4'-O4' 115.078 4.198 . 0.026 5j . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . 0.405 " H5'" " H3'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 O4'-C1'-N19 111.085 2.885 . 0.395 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 1 O4'-C1'-N19 112.366 4.166 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 O4'-C1'-N19 111.786 3.586 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.316 1 O4'-C1'-N19 112.21 4.01 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C1'-O4'-C4' 106.706 -3.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C4'-C3'-O3' 118.172 2.912 OUTLIER-EPSILON 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.397 0 P-O3'-C3' 124.452 3.96 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C3'-C2'-C1' 103.564 2.293 . 0.118 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.412 0 C3'-C2'-C1' 104.55 3.389 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.386 0 N19-C1'-C2' 118.22 3.013 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.674 0 C5'-C4'-O4' 112.993 2.709 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 O4'-C1'-N19 111.855 3.655 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 C4'-C3'-C2' 99.586 -3.114 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.905 0 C4'-C3'-C2' 100.063 -2.637 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 2 O4'-C1'-N19 112.898 4.698 . 0.683 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.237 1 O4'-C1'-N19 112.373 4.173 . 0.367 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.764 0 O4'-C1'-N19 112.056 3.856 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 O4'-C1'-N19 111.645 3.445 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C4'-C3'-C2' 99.093 -3.607 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 C4'-C3'-C2' 100.061 -2.639 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 0 O4'-C1'-N19 111.427 3.227 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 O4'-C1'-N19 110.697 2.497 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C1'-N19 111.548 3.348 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . 0.42 " H3'" H5'' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C2'-C3'-O3' 117.887 2.46 . 0.523 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.42 H5'' " H3'" ' B' ' 34' ' ' ' A' . . . . . . . . 0 P--O5' 1.617 2.446 1 P-O3'-C3' 124.886 4.321 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.792 0 O5'-C5'-C4' 115.244 3.603 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 1 O5'-C5'-C4' 116.495 4.496 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.184 1 O4'-C1'-N19 112.542 4.342 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.004 2.804 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 O4'-C1'-N19 111.603 3.403 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.159 0 C4'-C3'-C2' 99.49 -3.21 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 0 C4'-C3'-C2' 99.539 -3.161 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C4'-C3'-C2' 99.254 -3.446 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 C4'-C3'-C2' 99.679 -3.021 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 O4'-C1'-N19 111.349 3.149 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.948 0 C3'-C2'-C1' 103.68 2.422 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 P-O3'-C3' 124.435 3.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.336 1 O4'-C1'-N19 112.278 4.078 . 0.464 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 C5'-C4'-O4' 113.777 3.269 . 0.084 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 0 O4'-C1'-N19 111.305 3.105 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C4'-C3'-C2' 99.423 -3.277 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 C4'-C3'-C2' 99.098 -3.602 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 C5'-C4'-O4' 113.746 3.247 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 O4'-C1'-N19 111.677 3.477 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 C4'-C3'-C2' 99.108 -3.592 . 0.583 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.571 0 O4'-C1'-N19 111.659 3.459 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 C4'-C3'-C2' 100.432 -2.268 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-O3' 119.269 3.334 OUTLIER-EPSILON 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 1 O4'-C1'-N19 112.335 4.135 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.314 0 O4'-C1'-N19 110.663 2.463 . 0.035 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.441 1 O5'-C5'-C4' 117.819 5.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C4'-C3'-C2' 99.353 -3.347 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.981 0 C4'-C3'-C2' 98.919 -3.781 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.94 0 O4'-C1'-N19 111.306 3.106 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 C4'-C3'-C2' 99.442 -3.258 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.291 0 P-O3'-C3' 121.954 1.879 . 0.043 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 C4'-C3'-C2' 99.516 -3.184 . 0.727 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 1 C4'-C3'-C2' 98.076 -4.624 . 0.655 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 C4'-C3'-C2' 99.178 -3.522 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 99.434 -3.266 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 O4'-C1'-N19 111.769 3.569 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 O4'-C1'-N19 111.83 3.63 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.397 0.142 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.9 p -125.89 0.83 7.34 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.887 1.275 . . . . 0.0 114.256 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 t 63.72 14.98 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 125.571 1.548 . . . . 0.0 111.736 -174.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.1 t -135.87 -32.53 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.968 2.107 . . . . 0.0 111.034 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -62.45 162.59 9.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.124 1.37 . . . . 0.0 113.905 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.87 178.96 43.08 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.041 1.305 . . . . 0.0 113.067 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -131.39 9.54 4.74 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.793 1.237 . . . . 0.0 114.156 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -150.59 168.77 23.27 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.532 1.533 . . . . 0.0 112.657 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -149.93 167.47 26.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.821 1.648 . . . . 0.0 111.73 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -150.85 155.38 39.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.27 1.428 . . . . 0.0 111.368 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -145.11 145.5 31.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.66 1.584 . . . . 0.0 111.133 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -142.06 -29.92 0.58 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.527 1.131 . . . . 0.0 113.518 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.85 -175.68 45.16 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.55 1.071 . . . . 0.0 113.286 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.66 -172.56 37.81 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.845 1.212 . . . . 0.0 112.867 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -103.93 -12.23 16.98 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -62.06 -34.27 75.95 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.881 1.272 . . . . 0.0 112.994 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -53.29 151.51 5.27 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.939 1.696 . . . . 0.0 113.291 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -70.44 10.79 0.42 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -67.89 169.22 10.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.163 1.385 . . . . 0.0 112.083 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 50.22 39.53 20.03 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.828 1.651 . . . . 0.0 113.337 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.22 157.18 45.59 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.409 1.884 . . . . 0.0 110.851 -178.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -156.45 163.45 39.42 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.524 1.93 . . . . 0.0 108.793 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -71.58 5.8 2.22 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -109.11 6.52 24.99 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.528 1.931 . . . . 0.0 111.342 173.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -126.72 165.33 19.45 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.651 1.58 . . . . 0.0 113.663 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -90.57 135.1 33.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.99 1.716 . . . . 0.0 113.218 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.23 61.32 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -90.28 -47.24 7.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -117.07 -6.42 11.38 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.5 mptt 67.53 4.68 3.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.39 2.276 . . . . 0.0 115.457 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.71 167.33 7.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.42 1.009 . . . . 0.0 110.562 171.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -111.16 163.49 13.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.55 -3.85 81.86 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.518 1.533 . . . . 0.0 114.88 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -154.63 172.12 18.39 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.644 1.578 . . . . 0.0 111.594 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -116.06 167.37 11.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.54 1.936 . . . . 0.0 109.973 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.42 29.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.032 1.333 . . . . 0.0 113.162 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.9 -15.24 4.47 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.462 1.905 . . . . 0.0 114.251 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -133.9 14.54 3.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.469 2.308 . . . . 0.0 112.219 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.36 128.03 81.93 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -69.96 -14.0 34.9 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.059 2.506 . . . . 0.0 112.84 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -76.68 -22.03 54.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.884 0.874 . . . . 0.0 111.732 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -81.16 143.96 53.52 Favored Pre-proline 0 N--CA 1.477 0.907 0 CA-C-N 118.746 0.703 . . . . 0.0 112.339 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -73.51 163.88 36.43 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.448 2.766 . . . . 0.0 112.329 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 45.47 39.29 4.49 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 126.605 1.962 . . . . 0.0 114.833 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.02 80.83 0.11 Allowed Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.058 1.313 . . . . 0.0 113.265 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.85 172.6 19.34 Favored 'Cis proline' 0 CA--C 1.541 0.841 0 CA-C-N 118.655 1.228 . . . . 0.0 113.591 -26.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -82.28 39.13 0.57 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.28 1.432 . . . . 0.0 112.568 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.03 60.97 0.04 OUTLIER Glycine 0 CA--C 1.538 1.508 0 C-N-CA 126.504 2.002 . . . . 0.0 112.249 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -72.63 150.57 51.09 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.48 2.787 . . . . 0.0 113.028 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.66 75.36 8.52 Favored Pre-proline 0 N--CA 1.478 0.975 0 C-N-CA 125.504 1.521 . . . . 0.0 109.905 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.04 159.36 47.96 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.44 2.76 . . . . 0.0 112.555 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -139.4 19.06 2.56 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.316 1.447 . . . . 0.0 112.531 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m 55.12 27.3 9.31 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.006 1.722 . . . . 0.0 113.624 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 t -145.45 20.98 1.53 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.713 1.605 . . . . 0.0 112.577 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 125.02 1.328 . . . . 0.0 112.039 -179.713 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C4'-C3'-C2' 99.383 -3.317 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.728 -2.972 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 C4'-C3'-C2' 99.106 -3.594 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 O4'-C1'-N19 111.848 3.648 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 O4'-C1'-N19 112.124 3.924 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.407 1 C3'-C2'-C1' 105.246 4.163 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 1 O4'-C1'-N19 114.096 5.896 . 0.604 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.599 0 C3'-C2'-C1' 105.028 3.92 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.872 3.672 . 0.497 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 1 C5'-C4'-C3' 108.897 -4.402 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 O4'-C1'-N19 111.162 2.962 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.144 2.944 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.965 0 C4'-C3'-C2' 99.474 -3.226 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.467 -3.233 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.275 0 O4'-C1'-N19 111.561 3.361 . 0.426 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 P-O3'-C3' 124.479 3.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-O4' 112.537 2.383 . 0.425 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 1 O4'-C1'-N19 112.533 4.333 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 N19-C1'-C2' 117.477 2.548 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.475 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 C4'-C3'-C2' 99.157 -3.543 . 0.132 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 0 O4'-C1'-N19 112.161 3.961 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 C4'-C3'-C2' 99.223 -3.477 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.01 0 O4'-C1'-N19 110.772 2.572 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 2 O4'-C1'-N19 113.06 4.86 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 1 O4'-C1'-N19 112.429 4.229 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 O4'-C1'-N19 111.607 3.407 . 0.907 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 111.757 3.557 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 C4'-C3'-C2' 99.35 -3.35 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C4'-C3'-C2' 100.019 -2.681 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 O4'-C1'-N19 111.034 2.834 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 110.82 2.62 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.599 -3.101 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O5'-C5'-C4' 113.778 2.556 . 0.692 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 100.675 -2.025 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.035 0 O4'-C1'-N19 110.953 2.753 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 0 O4'-C1'-N19 111.648 3.448 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 1 O4'-C1'-N19 112.302 4.102 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C5'-C4'-O4' 112.465 2.332 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 C4'-C3'-C2' 99.46 -3.24 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C4'-C3'-C2' 99.383 -3.317 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.077 0 C4'-C3'-C2' 99.658 -3.042 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C4'-C3'-C2' 99.64 -3.06 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C5'-C4'-O4' 112.657 2.469 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C4'-C3'-C2' 99.873 -2.827 . 0.449 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . 0.475 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C5'-C4'-O4' 113.088 2.777 . 0.364 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 P-O3'-C3' 122.674 2.478 . 0.099 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.409 0 O4'-C1'-N19 112.082 3.882 . 0.068 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C4'-C3'-C2' 99.939 -2.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.202 0 O4'-C1'-N19 111.169 2.969 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.959 0 C4'-C3'-C2' 99.404 -3.296 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 C4'-C3'-C2' 99.695 -3.005 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 C5'-C4'-O4' 113.371 2.98 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 O4'-C1'-N19 111.935 3.735 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-N19 111.216 3.016 . 0.06 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 O4'-C1'-N19 111.543 3.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 100.277 -2.423 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 P-O3'-C3' 121.937 1.864 . 0.345 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 1 O4'-C1'-N19 113.243 5.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 0 N19-C1'-C2' 117.537 2.586 . 0.01 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.158 0 O4'-C1'-N19 111.755 3.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 O4'-C1'-N19 111.98 3.78 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 O4'-C1'-N19 112.0 3.8 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.134 0 C4'-C3'-C2' 99.873 -2.827 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.643 -3.057 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.208 0 O4'-C1'-N19 110.532 2.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C5'-C4'-O4' 113.25 2.893 . 0.063 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.04 0 C4'-C3'-C2' 99.317 -3.383 . 0.119 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.072 0 C4'-C3'-C2' 99.604 -3.096 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C5'-C4'-O4' 112.924 2.66 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C4'-C3'-C2' 99.413 -3.287 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 O4'-C1'-N19 111.412 3.212 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.399 0.143 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 t -153.94 171.51 18.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.967 1.307 . . . . 0.0 111.657 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -139.78 138.62 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.307 1.843 . . . . 0.0 109.225 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.3 167.32 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.614 1.565 . . . . 0.0 111.803 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -149.23 170.56 18.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.041 1.336 . . . . 0.0 112.013 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.49 34.69 0.34 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.966 1.746 . . . . 0.0 113.222 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 51.91 -131.4 2.09 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.972 1.709 . . . . 0.0 111.957 -176.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -140.62 174.89 10.08 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.739 2.015 . . . . 0.0 111.264 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -124.88 27.42 6.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.661 1.584 . . . . 0.0 112.62 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.84 175.75 3.45 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.875 1.67 . . . . 0.0 113.698 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.06 160.3 38.78 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.318 1.847 . . . . 0.0 110.57 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -54.62 134.52 46.89 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.378 1.071 . . . . 0.0 112.883 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.28 -176.56 40.2 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.615 1.103 . . . . 0.0 113.3 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.76 169.17 26.88 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.601 1.572 . . . . 0.0 112.056 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -152.97 150.1 28.88 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.964 -0.727 . . . . 0.0 111.745 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -60.13 -22.65 63.1 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.17 1.388 . . . . 0.0 114.234 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -132.04 142.27 49.5 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.23 1.812 . . . . 0.0 109.361 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mtt85 -132.21 -5.88 3.43 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -172.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 t 59.98 -177.03 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.133 1.773 . . . . 0.0 113.741 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.54 126.25 26.67 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.485 1.114 . . . . 0.0 110.954 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.3 mt -146.05 160.01 42.48 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.455 1.502 . . . . 0.0 112.277 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -157.1 152.87 26.94 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 128.105 2.562 . . . . 0.0 107.176 175.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 mmt-85 -67.0 -9.23 36.62 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.302 -1.499 . . . . 0.0 114.624 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -97.75 9.03 43.63 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.81 1.244 . . . . 0.0 112.04 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -120.49 159.19 25.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.975 1.31 . . . . 0.0 114.5 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.6 t -86.98 128.57 35.07 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.32 1.848 . . . . 0.0 112.557 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -18.98 63.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -93.49 -37.79 11.75 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -175.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.24 -6.07 9.4 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm 68.99 6.42 5.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.12 2.168 . . . . 0.0 115.376 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -68.79 174.6 4.21 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.201 0.91 . . . . 0.0 110.934 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -119.86 162.45 19.1 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.7 -2.18 69.65 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.844 1.688 . . . . 0.0 114.364 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -157.1 173.6 16.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.119 1.768 . . . . 0.0 111.476 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -112.37 165.3 12.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.218 1.807 . . . . 0.0 110.27 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.3 -38.41 52.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.203 1.001 . . . . 0.0 113.208 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.03 -13.99 14.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.468 1.907 . . . . 0.0 113.264 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -132.36 13.61 4.59 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.628 2.371 . . . . 0.0 112.945 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 t -55.2 122.34 42.34 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.988 1.315 . . . . 0.0 114.532 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.88 -36.36 98.88 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.548 2.165 . . . . 0.0 113.653 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -76.06 -22.43 55.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.156 1.382 . . . . 0.0 113.543 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -65.77 139.54 96.97 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 123.932 0.893 . . . . 0.0 112.284 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.14 -33.57 35.97 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 124.398 3.399 . . . . 0.0 116.107 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 41.58 53.98 3.76 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.984 2.113 . . . . 0.0 114.205 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.62 -41.9 0.04 OUTLIER Glycine 0 CA--C 1.54 1.64 0 CA-C-O 117.696 -1.614 . . . . 0.0 115.77 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -59.61 -12.02 1.89 Allowed 'Cis proline' 0 CA--C 1.543 0.94 0 CA-C-N 119.946 1.873 . . . . 0.0 115.633 -28.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -143.72 155.94 44.36 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.099 1.36 . . . . 0.0 111.107 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.35 -178.93 40.42 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.435 1.493 . . . . 0.0 112.676 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -69.03 155.68 67.6 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.464 2.776 . . . . 0.0 112.775 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -150.58 135.76 10.08 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.711 1.604 . . . . 0.0 110.349 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.78 161.87 44.26 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.924 2.416 . . . . 0.0 112.023 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -139.34 143.57 37.86 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.922 1.289 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.5 p -136.2 -4.02 2.16 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.217 1.407 . . . . 0.0 114.593 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.0 m 60.81 176.0 0.1 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.781 2.032 . . . . 0.0 114.911 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 125.338 1.455 . . . . 0.0 111.347 -179.146 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.189 0 C4'-C3'-C2' 99.529 -3.171 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C4'-C3'-C2' 99.542 -3.158 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C4'-C3'-C2' 99.269 -3.431 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 99.042 -3.658 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 111.38 3.18 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.288 0 C3'-C2'-C1' 104.83 3.7 OUTLIER-DELTA 0.221 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.654 4.454 . 0.284 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 N19-C1'-C2' 118.513 3.196 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C3'-C2'-C1' 105.017 3.908 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 P-O3'-C3' 123.574 3.229 . 0.615 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 C4'-C3'-C2' 99.562 -3.138 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 O4'-C1'-N19 111.685 3.485 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 O4'-C1'-N19 111.919 3.719 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . 0.414 ' N6 ' ' C2 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.117 -2.583 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.342 0 O4'-C1'-N19 111.052 2.852 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.372 0 C4'-C3'-C2' 99.8 -2.9 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-O3' 119.766 3.526 OUTLIER-EPSILON 0.01 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.319 2 P-O3'-C3' 126.68 5.817 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 O4'-C1'-C2' 102.657 -2.673 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.414 ' C2 ' ' N6 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 P--O5' 1.623 3.016 0 C4'-C3'-C2' 99.954 -2.746 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.258 0 O4'-C1'-N19 111.933 3.733 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 99.219 -3.481 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.963 0 O4'-C1'-N19 110.78 2.58 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 2 C4'-C3'-C2' 98.492 -4.208 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.28 1 O4'-C1'-N19 112.707 4.507 . 0.4 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.705 3.505 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 O4'-C1'-N19 111.583 3.383 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C1'-N19 111.496 3.296 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.612 -3.088 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 C5'-C4'-O4' 112.719 2.514 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 110.805 2.605 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 111.977 3.777 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C5'-C4'-O4' 113.37 2.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.296 3.096 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 O4'-C1'-N19 110.636 2.436 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C4'-C3'-C2' 100.048 -2.652 . 0.101 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 1 O4'-C1'-N19 112.328 4.128 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 0 C5'-C4'-O4' 112.844 2.603 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.304 -3.396 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 C4'-C3'-C2' 99.456 -3.244 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.829 -2.871 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.5 -3.2 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.044 0 C4'-C3'-C2' 99.508 -3.192 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.114 0 C4'-C3'-C2' 101.051 -1.649 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C3'-C2'-C1' 104.326 3.14 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 P-O3'-C3' 124.033 3.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.706 1 C5'-C4'-O4' 114.933 4.095 . 0.294 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 P-O3'-C3' 122.633 2.444 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 C4'-C3'-C2' 99.194 -3.506 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.163 -3.537 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C4'-C3'-C2' 99.637 -3.063 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C5'-C4'-O4' 113.328 2.949 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 111.794 3.594 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C4'-C3' 108.793 2.352 . 0.164 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 O4'-C1'-N19 111.136 2.936 . 0.076 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 C4'-C3'-C2' 100.24 -2.46 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 O4'-C1'-N19 110.48 2.28 . 0.043 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.262 1 O4'-C1'-N19 112.83 4.63 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.583 0 C4'-C3'-O3' 119.46 3.408 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.349 0 O4'-C1'-N19 111.834 3.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 O4'-C1'-N19 111.831 3.631 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 1 O4'-C1'-N19 112.244 4.044 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 C4'-C3'-C2' 100.27 -2.43 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C4'-C3'-C2' 100.269 -2.431 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 0 O4'-C1'-N19 110.298 2.098 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.176 0 N19-C1'-C2' 116.986 2.241 . 0.13 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 111.033 2.833 . 0.432 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C4'-C3'-C2' 99.008 -3.692 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 C4'-C3'-C2' 99.496 -3.204 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C4'-C3'-C2' 99.313 -3.387 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 O4'-C1'-N19 111.687 3.487 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 120.657 0.265 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -152.61 172.37 16.73 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.151 1.38 . . . . 0.0 111.539 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.9 p -150.44 149.5 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.774 1.63 . . . . 0.0 110.758 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.93 144.76 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.244 1.417 . . . . 0.0 111.102 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -135.38 5.53 3.23 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.085 1.354 . . . . 0.0 114.098 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.51 -178.6 48.69 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.989 1.28 . . . . 0.0 113.067 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -139.8 163.76 31.77 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.431 1.492 . . . . 0.0 111.473 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -146.51 145.18 30.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.575 1.55 . . . . 0.0 111.276 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -149.93 158.89 44.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.601 1.96 . . . . 0.0 109.834 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -138.54 160.2 40.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.609 1.164 . . . . 0.0 111.686 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -138.29 172.34 13.04 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.018 1.727 . . . . 0.0 111.624 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 58.64 17.53 5.14 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.52 1.928 . . . . 0.0 114.832 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.64 9.85 73.27 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.271 1.415 . . . . 0.0 114.302 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.64 179.31 42.74 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.883 2.182 . . . . 0.0 111.398 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 54.44 38.56 29.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.004 1.322 . . . . 0.0 113.114 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -133.95 163.64 29.09 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.899 2.08 . . . . 0.0 111.39 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -140.47 159.81 41.37 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.128 2.171 . . . . 0.0 111.006 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.19 152.62 40.29 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.485 1.114 . . . . 0.0 112.289 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.5 t -152.05 127.01 9.68 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.742 1.617 . . . . 0.0 109.17 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 49.77 54.38 11.14 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.73 1.212 . . . . 0.0 112.228 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.4 mt -132.6 153.64 50.82 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.436 1.494 . . . . 0.0 111.847 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -147.94 149.65 32.6 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.735 2.414 . . . . 0.0 106.505 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.469 HH22 " H1'" ' B' ' 46' ' ' ' G' . 2.4 mmt-85 -71.76 14.41 0.2 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.476 -1.39 . . . . 0.0 114.221 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.17 6.66 6.47 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.096 2.158 . . . . 0.0 112.356 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -128.39 139.21 52.5 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.202 1.001 . . . . 0.0 113.571 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.17 132.0 50.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.269 1.828 . . . . 0.0 114.015 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.16 -14.62 61.86 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -99.13 -35.67 9.93 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.79 -3.86 5.87 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 69.15 -0.1 2.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.631 2.373 . . . . 0.0 115.33 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.74 146.78 44.68 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.833 1.197 . . . . 0.0 111.977 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -94.63 141.66 28.35 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.78 1.232 . . . . 0.0 111.862 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.95 30.25 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.227 1.394 . . . . 0.0 115.085 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -149.91 169.57 20.84 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.226 1.41 . . . . 0.0 111.478 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -114.41 160.14 19.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.911 1.685 . . . . 0.0 109.733 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.38 -35.79 19.83 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.744 1.618 . . . . 0.0 113.692 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.87 -20.7 6.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.128 1.771 . . . . 0.0 113.877 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -132.39 17.37 4.44 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.749 2.02 . . . . 0.0 113.164 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.8 t -54.01 127.6 54.5 Favored Pre-proline 0 CA--C 1.557 1.226 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -70.15 -16.31 35.9 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.323 2.682 . . . . 0.0 113.459 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -73.67 -22.24 60.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.726 1.21 . . . . 0.0 111.856 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.79 153.64 87.1 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 123.747 0.819 . . . . 0.0 112.779 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -70.95 -8.27 23.25 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 123.821 3.014 . . . . 0.0 114.712 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 51.39 39.45 24.34 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.607 1.963 . . . . 0.0 113.908 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.73 170.6 37.49 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.353 1.454 . . . . 0.0 113.354 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -86.54 -9.74 45.53 Favored 'Cis proline' 0 CA--C 1.541 0.868 0 CA-C-N 118.192 0.996 . . . . 0.0 114.227 28.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -139.83 148.32 41.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.332 1.853 . . . . 0.0 110.225 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.07 -178.85 36.86 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.686 1.136 . . . . 0.0 113.559 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.33 156.91 63.12 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.675 2.917 . . . . 0.0 112.24 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -131.75 151.2 78.17 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.545 1.538 . . . . 0.0 112.246 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.42 173.35 13.95 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.786 2.991 . . . . 0.0 113.17 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -145.51 169.54 18.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.969 1.707 . . . . 0.0 111.618 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 t -150.81 173.0 14.73 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.666 1.186 . . . . 0.0 112.382 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.1 p -134.26 6.75 3.6 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.943 2.097 . . . . 0.0 113.219 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 125.659 1.584 . . . . 0.0 110.899 -179.848 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 0 C4'-C3'-C2' 99.645 -3.055 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 C4'-C3'-C2' 99.52 -3.18 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 O4'-C1'-N19 111.875 3.675 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 O4'-C1'-N19 111.985 3.785 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 111.344 3.144 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 0 C5'-C4'-C3' 111.33 -2.78 OUTLIER-DELTA 0.124 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O4'-C1'-N19 110.974 2.774 . 0.208 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C5'-C4'-O4' 113.445 3.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 2.614 1 C3'-C2'-C1' 106.161 5.179 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C5'-C4'-O4' 113.924 3.374 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 112.019 3.819 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 1 O4'-C1'-N19 112.863 4.663 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.569 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.538 2.137 0 O4'-C1'-N19 111.282 3.082 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . 0.569 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 C4'-C3'-C2' 98.965 -3.735 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 C4'-C3'-C2' 99.84 -2.86 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.419 0 C5'-C4'-C3' 110.252 -3.499 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 O4'-C4'-C3' 108.657 2.255 . 0.01 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.192 1 O4'-C1'-N19 112.711 4.511 . 0.039 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.555 0 C4'-C3'-C2' 99.841 -2.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C4'-C3' 108.002 1.787 . 0.453 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 2 C4'-C3'-C2' 98.474 -4.226 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C4'-C3'-C2' 99.08 -3.62 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.912 0 O4'-C1'-N19 111.457 3.257 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 1 O4'-C1'-N19 112.749 4.549 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 O4'-C1'-N19 112.028 3.828 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 O4'-C1'-N19 110.974 2.774 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 O4'-C1'-N19 111.443 3.243 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.044 0 O4'-C1'-N19 111.618 3.418 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 C4'-C3'-C2' 99.696 -3.004 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.07 2.87 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 O4'-C1'-N19 111.089 2.889 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.73 1 O4'-C1'-N19 112.359 4.159 . 0.579 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 O4'-C1'-N19 110.556 2.356 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 C4'-C3'-C2' 99.798 -2.902 . 0.238 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.506 0 O4'-C1'-N19 111.462 3.262 OUTLIER-DELTA 0.016 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 O4'-C1'-N19 111.991 3.791 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 1 O4'-C1'-N19 113.253 5.053 . 0.304 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C5'-C4'-O4' 113.18 2.843 . 0.636 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.537 -3.163 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 99.059 -3.641 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 0 C4'-C3'-C2' 99.755 -2.945 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C4'-C3'-C2' 99.71 -2.99 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 O4'-C1'-N19 110.745 2.545 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 C5'-C4'-O4' 112.671 2.479 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . 0.469 " H1'" HH22 ' A' ' 23' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 O4'-C1'-N19 114.337 6.137 . 0.044 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.026 0 C5'-C4'-C3' 109.936 -3.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.279 0 O4'-C1'-N19 112.138 3.938 . 0.587 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.249 3.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 0 C4'-C3'-C2' 99.515 -3.185 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 99.403 -3.297 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.994 0 C4'-C3'-C2' 99.379 -3.321 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 C5'-C4'-O4' 113.805 3.289 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.508 3.308 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 O4'-C4'-C3' 108.919 2.442 . 0.092 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 111.466 3.266 . 0.054 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 C4'-C3'-C2' 100.622 -2.078 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-O3' 115.971 2.066 . 0.222 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.362 1 O4'-C1'-N19 114.598 6.398 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 N19-C1'-C2' 117.833 2.77 . 0.011 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.852 2 O5'-C5'-C4' 116.9 4.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.755 3.555 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 O4'-C1'-N19 111.968 3.768 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 0 O4'-C1'-N19 110.802 2.602 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.893 -2.807 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.205 0 P-O3'-C3' 121.937 1.865 . 0.01 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 O4'-C4'-C3' 108.691 2.28 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.591 -3.109 . 0.649 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 C4'-C3'-C2' 99.429 -3.271 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 C4'-C3'-C2' 99.578 -3.122 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.687 3.487 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 O4'-C1'-N19 111.677 3.477 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 t -109.32 130.98 55.48 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.843 1.657 . . . . 0.0 111.925 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.23 67.67 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -76.0 -46.3 30.2 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.54 -3.79 10.37 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.8 mppt? 69.38 5.78 5.33 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.705 2.002 . . . . 0.0 115.724 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -68.52 179.06 1.79 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.897 0.879 . . . . 0.0 111.158 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -127.44 163.65 23.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.775 1.23 . . . . 0.0 113.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.65 -3.93 78.85 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.674 1.607 . . . . 0.0 114.094 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -156.21 170.84 21.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.57 1.948 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -114.72 167.92 10.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.08 1.752 . . . . 0.0 110.093 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.46 -38.56 30.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.919 0.887 . . . . 0.0 113.214 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -54.59 -18.55 4.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.524 1.93 . . . . 0.0 114.664 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -132.5 15.88 4.45 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.737 2.015 . . . . 0.0 112.944 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.21 128.26 72.16 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--N 1.355 0.917 0 C-N-CA 123.009 2.473 . . . . 0.0 113.418 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.34 133.7 34.01 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.233 1.413 . . . . 0.0 113.891 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.19 60.76 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -92.47 -40.61 10.74 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.46 -6.84 7.54 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.328 55.4 mttm 67.94 9.51 7.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.111 2.164 . . . . 0.0 115.961 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.44 174.78 3.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 0.0 110.481 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -117.63 160.5 21.19 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.71 67.73 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 126.004 1.764 . . . . 0.0 114.754 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -156.79 175.91 13.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.719 1.608 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -116.45 164.88 13.91 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.591 1.956 . . . . 0.0 109.426 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.37 49.64 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 112.807 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -53.55 -20.38 4.94 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.903 2.081 . . . . 0.0 114.344 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -131.28 16.45 5.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.887 2.075 . . . . 0.0 113.168 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -55.64 126.18 63.26 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo . . . . . 0 C--N 1.356 0.942 0 C-N-CA 123.308 2.672 . . . . 0.0 114.497 176.732 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -88.05 131.15 34.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.792 1.237 . . . . 0.0 112.734 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.79 -16.26 61.63 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -99.9 -30.73 11.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.59 -5.97 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.8 mptt 66.14 8.64 5.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.072 2.149 . . . . 0.0 115.554 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.74 175.2 4.41 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.828 0.851 . . . . 0.0 110.347 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -121.79 164.37 17.57 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.08 -2.59 72.01 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.846 1.689 . . . . 0.0 114.136 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -156.33 172.89 17.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.28 1.832 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -113.4 167.33 10.67 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.237 1.815 . . . . 0.0 109.233 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.83 -34.47 27.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.16 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -57.63 -17.17 13.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.164 2.186 . . . . 0.0 113.635 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -132.16 15.88 4.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.248 2.219 . . . . 0.0 112.185 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.5 t -56.14 125.7 65.0 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--N 1.354 0.84 0 C-N-CA 122.957 2.438 . . . . 0.0 113.232 -179.654 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.5 t -94.63 128.17 41.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.746 1.218 . . . . 0.0 112.748 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.71 -4.0 37.91 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -109.23 -29.38 8.53 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.58 -4.04 3.73 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.6 mttp 71.61 4.91 5.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.951 2.1 . . . . 0.0 115.363 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.48 161.26 12.13 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.579 1.081 . . . . 0.0 111.461 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.13 134.67 54.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.364 1.465 . . . . 0.0 110.424 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.15 -5.05 18.07 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.836 1.684 . . . . 0.0 114.704 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -156.51 169.11 25.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.484 1.514 . . . . 0.0 111.773 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -107.86 166.28 10.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.748 1.619 . . . . 0.0 110.804 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.21 45.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.28 -0.887 . . . . 0.0 111.794 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -54.66 -17.44 3.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.019 2.127 . . . . 0.0 113.932 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -128.59 7.4 5.75 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.315 2.246 . . . . 0.0 113.187 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.44 129.13 61.27 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo . . . . . 0 C--N 1.354 0.851 0 C-N-CA 123.123 2.549 . . . . 0.0 113.15 179.771 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -96.1 127.42 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.058 1.343 . . . . 0.0 112.401 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.55 -7.86 55.26 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -100.43 -28.76 12.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -131.72 -3.29 3.7 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 71.78 4.67 5.12 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.037 2.135 . . . . 0.0 114.902 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -71.23 172.34 9.46 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.657 1.117 . . . . 0.0 112.779 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -117.1 149.21 40.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.691 1.997 . . . . 0.0 111.882 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.7 -6.63 55.0 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.387 1.47 . . . . 0.0 115.453 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.7 174.39 14.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.628 1.571 . . . . 0.0 111.431 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -115.55 167.49 10.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.536 1.934 . . . . 0.0 109.909 176.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.05 -35.49 25.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.187 0.995 . . . . 0.0 112.261 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -53.2 -20.5 4.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.316 1.846 . . . . 0.0 114.189 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -132.92 15.73 4.26 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.365 2.266 . . . . 0.0 112.644 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -56.05 127.41 69.47 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 C--N 1.355 0.869 0 C-N-CA 122.671 2.247 . . . . 0.0 113.146 -178.743 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.37 132.65 46.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.46 1.904 . . . . 0.0 115.135 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.68 -16.27 59.57 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -94.92 -63.06 1.21 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.768 1.227 . . . . 0.0 113.863 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.1 -8.43 25.24 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt 74.84 6.13 4.38 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 127.888 2.475 . . . . 0.0 115.569 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.37 171.48 5.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.21 0.914 . . . . 0.0 112.204 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -114.12 159.46 20.02 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.966 1.307 . . . . 0.0 112.973 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.66 -3.5 68.19 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.639 1.59 . . . . 0.0 114.359 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -158.61 175.76 13.24 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.761 1.624 . . . . 0.0 112.116 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -114.6 163.13 15.84 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 0.0 109.992 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.27 58.98 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.856 1.262 . . . . 0.0 112.18 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -55.1 -18.93 6.24 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.694 1.997 . . . . 0.0 114.048 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -133.07 14.45 4.24 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.332 2.253 . . . . 0.0 112.907 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -56.64 130.22 77.11 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.773 1.229 . . . . 0.0 113.724 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo . . . . . 0 C--N 1.354 0.839 0 C-N-CA 123.213 2.609 . . . . 0.0 113.344 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -91.49 129.53 37.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.074 1.35 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 -1.97 36.34 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -107.89 -31.18 8.11 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.04 -5.16 5.0 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 73.89 -0.89 3.23 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.196 2.198 . . . . 0.0 115.353 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -68.26 174.97 3.54 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.493 1.042 . . . . 0.0 112.102 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -120.22 163.84 17.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.268 1.427 . . . . 0.0 113.839 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.22 -0.5 85.77 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.762 1.648 . . . . 0.0 114.707 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -157.22 175.02 14.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.466 1.506 . . . . 0.0 112.366 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -119.9 167.32 12.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.895 2.078 . . . . 0.0 110.141 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.85 -40.26 20.87 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.686 1.194 . . . . 0.0 113.428 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -55.91 -14.96 2.79 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.112 1.765 . . . . 0.0 114.719 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -132.94 14.11 4.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.11 2.164 . . . . 0.0 112.673 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.53 129.93 80.97 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 124.585 1.154 . . . . 0.0 114.085 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 C--N 1.355 0.9 0 C-N-CA 123.308 2.672 . . . . 0.0 113.279 -179.866 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -90.57 135.1 33.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.99 1.716 . . . . 0.0 113.218 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.23 61.32 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -90.28 -47.24 7.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -117.07 -6.42 11.38 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.5 mptt 67.53 4.68 3.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.39 2.276 . . . . 0.0 115.457 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.71 167.33 7.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.42 1.009 . . . . 0.0 110.562 171.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -111.16 163.49 13.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.55 -3.85 81.86 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.518 1.533 . . . . 0.0 114.88 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -154.63 172.12 18.39 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.644 1.578 . . . . 0.0 111.594 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -116.06 167.37 11.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.54 1.936 . . . . 0.0 109.973 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.42 29.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.032 1.333 . . . . 0.0 113.162 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.9 -15.24 4.47 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.462 1.905 . . . . 0.0 114.251 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -133.9 14.54 3.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.469 2.308 . . . . 0.0 112.219 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.36 128.03 81.93 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 C--N 1.355 0.901 0 C-N-CA 123.059 2.506 . . . . 0.0 112.84 178.833 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.6 t -86.98 128.57 35.07 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.32 1.848 . . . . 0.0 112.557 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -18.98 63.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -93.49 -37.79 11.75 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -175.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.24 -6.07 9.4 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm 68.99 6.42 5.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.12 2.168 . . . . 0.0 115.376 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -68.79 174.6 4.21 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.201 0.91 . . . . 0.0 110.934 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -119.86 162.45 19.1 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.7 -2.18 69.65 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.844 1.688 . . . . 0.0 114.364 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -157.1 173.6 16.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.119 1.768 . . . . 0.0 111.476 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -112.37 165.3 12.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.218 1.807 . . . . 0.0 110.27 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.3 -38.41 52.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.203 1.001 . . . . 0.0 113.208 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.03 -13.99 14.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.468 1.907 . . . . 0.0 113.264 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -132.36 13.61 4.59 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.628 2.371 . . . . 0.0 112.945 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 t -55.2 122.34 42.34 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.988 1.315 . . . . 0.0 114.532 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--N 1.354 0.841 0 C-N-CA 122.548 2.165 . . . . 0.0 113.653 178.033 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.17 132.0 50.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.269 1.828 . . . . 0.0 114.015 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.16 -14.62 61.86 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -99.13 -35.67 9.93 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.79 -3.86 5.87 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 69.15 -0.1 2.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.631 2.373 . . . . 0.0 115.33 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.74 146.78 44.68 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.833 1.197 . . . . 0.0 111.977 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -94.63 141.66 28.35 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.78 1.232 . . . . 0.0 111.862 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.95 30.25 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.227 1.394 . . . . 0.0 115.085 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -149.91 169.57 20.84 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.226 1.41 . . . . 0.0 111.478 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -114.41 160.14 19.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.911 1.685 . . . . 0.0 109.733 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.38 -35.79 19.83 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.744 1.618 . . . . 0.0 113.692 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.87 -20.7 6.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.128 1.771 . . . . 0.0 113.877 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -132.39 17.37 4.44 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.749 2.02 . . . . 0.0 113.164 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.8 t -54.01 127.6 54.5 Favored Pre-proline 0 CA--C 1.557 1.226 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo . . . . . 0 C--N 1.354 0.856 0 C-N-CA 123.323 2.682 . . . . 0.0 113.459 -178.815 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.441 0.162 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.3 m -139.0 144.26 38.83 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.295 1.438 . . . . 0.0 110.467 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -149.79 152.02 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.419 1.488 . . . . 0.0 110.62 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.02 162.11 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.85 1.66 . . . . 0.0 111.625 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -62.33 153.39 31.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.779 1.232 . . . . 0.0 113.137 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.09 179.48 48.89 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.527 1.061 . . . . 0.0 113.682 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 60.86 177.61 0.1 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.955 2.102 . . . . 0.0 114.478 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -151.62 151.22 31.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.127 1.771 . . . . 0.0 110.676 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -64.76 163.21 14.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.559 1.143 . . . . 0.0 112.551 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -59.42 148.43 32.77 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.658 1.183 . . . . 0.0 112.617 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.7 mtm-85 -138.65 162.35 34.86 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.489 1.515 . . . . 0.0 112.059 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -140.92 171.41 14.11 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.145 1.778 . . . . 0.0 111.193 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -167.01 177.73 41.55 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.579 1.085 . . . . 0.0 113.776 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.0 -26.52 0.18 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.679 1.133 . . . . 0.0 114.301 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -149.51 174.51 12.43 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.967 1.707 . . . . 0.0 110.794 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -132.34 27.08 4.47 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.614 1.966 . . . . 0.0 111.529 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.6 ttt-85 53.71 45.2 28.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.242 1.817 . . . . 0.0 111.114 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -136.27 -38.96 0.68 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.552 1.541 . . . . 0.0 113.976 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t 55.98 -166.27 0.12 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.253 1.421 . . . . 0.0 112.687 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.1 143.78 56.47 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.862 -1.149 . . . . 0.0 111.113 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 mt -140.27 161.46 37.62 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.692 1.597 . . . . 0.0 111.427 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -146.69 157.69 43.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.454 1.902 . . . . 0.0 109.108 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -68.15 6.14 0.81 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.529 1.532 . . . . 0.0 114.832 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -108.84 -1.29 19.31 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.541 1.936 . . . . 0.0 112.469 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -107.8 173.43 6.32 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.195 . . . . 0.0 113.672 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 t -109.32 130.98 55.48 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.843 1.657 . . . . 0.0 111.925 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.23 67.67 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 177.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -76.0 -46.3 30.2 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -119.54 -3.79 10.37 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -175.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.8 mppt? 69.38 5.78 5.33 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.705 2.002 . . . . 0.0 115.724 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -68.52 179.06 1.79 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.897 0.879 . . . . 0.0 111.158 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -127.44 163.65 23.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.775 1.23 . . . . 0.0 113.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.65 -3.93 78.85 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.674 1.607 . . . . 0.0 114.094 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -156.21 170.84 21.3 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.57 1.948 . . . . 0.0 110.988 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -114.72 167.92 10.34 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.08 1.752 . . . . 0.0 110.093 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.46 -38.56 30.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.919 0.887 . . . . 0.0 113.214 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -54.59 -18.55 4.59 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.524 1.93 . . . . 0.0 114.664 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -132.5 15.88 4.45 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.737 2.015 . . . . 0.0 112.944 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.21 128.26 72.16 Favored Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.37 -16.14 38.99 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.009 2.473 . . . . 0.0 113.418 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -71.1 -23.73 62.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.486 1.115 . . . . 0.0 112.131 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.23 156.58 89.75 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 123.763 0.825 . . . . 0.0 113.112 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.03 -3.8 11.31 Favored 'Trans proline' 0 CA--C 1.545 1.056 0 C-N-CA 123.962 3.108 . . . . 0.0 114.821 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -75.3 34.85 0.11 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 127.134 2.174 . . . . 0.0 113.074 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.98 -177.62 46.97 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 127.025 2.25 . . . . 0.0 112.403 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -63.64 -9.25 3.65 Favored 'Cis proline' 0 CA--C 1.545 1.043 0 N-CA-C 115.176 1.183 . . . . 0.0 115.176 -25.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -141.23 152.05 44.26 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.964 1.706 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.83 179.86 45.86 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.562 1.554 . . . . 0.0 112.337 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -73.28 23.83 0.31 Allowed 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 124.958 3.772 . . . . 0.0 116.043 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -158.36 77.21 3.43 Favored Pre-proline 0 N--CA 1.475 0.807 0 C-N-CA 127.766 2.426 . . . . 0.0 109.967 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.84 -25.05 41.34 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.147 3.232 . . . . 0.0 116.124 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 55.61 21.33 4.44 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.268 1.827 . . . . 0.0 114.719 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -140.18 6.71 2.17 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.655 1.582 . . . . 0.0 113.425 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -153.43 -47.07 0.09 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.211 1.404 . . . . 0.0 111.951 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 126.898 2.079 . . . . 0.0 113.693 178.536 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.167 0 C4'-C3'-C2' 99.555 -3.145 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 C4'-C3'-C2' 99.724 -2.976 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 O4'-C1'-N19 111.449 3.249 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 O4'-C1'-N19 111.518 3.318 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 O4'-C1'-N19 111.327 3.127 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.341 0 O4'-C1'-N19 111.282 3.082 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.23 1 O4'-C1'-N19 113.786 5.586 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 O4'-C1'-N19 111.363 3.163 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 110.447 2.247 . 0.306 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.459 1 C5'-C4'-C3' 107.931 -5.046 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 O4'-C1'-N19 111.555 3.355 . 0.943 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 1 O4'-C1'-N19 112.206 4.006 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 0 O4'-C1'-N19 111.417 3.217 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.781 -2.919 . 0.034 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 1 C3'-C2'-C1' 105.275 4.194 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.616 0 C5'-C4'-C3' 109.542 -3.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C5'-C4'-O4' 111.875 1.911 . 0.154 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.579 1 C5'-C4'-O4' 115.167 4.262 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C5'-C4'-C3' 110.847 -3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 99.68 -3.02 . 0.029 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 1 O4'-C1'-N19 112.294 4.094 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.032 0 C4'-C3'-C2' 99.329 -3.371 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 110.715 2.515 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.74 0 O4'-C1'-N19 112.015 3.815 . 0.914 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 O4'-C1'-N19 112.082 3.882 . 0.606 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.493 3.293 . 0.906 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 O4'-C1'-N19 111.727 3.527 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C4'-C3'-C2' 98.823 -3.877 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 C4'-C3'-C2' 100.182 -2.518 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 O4'-C1'-N19 111.904 3.704 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 O4'-C1'-N19 110.902 2.702 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.612 0 O4'-C1'-N19 111.066 2.866 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 C2'-C3'-O3' 118.127 2.545 . 0.912 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 2 P-O3'-C3' 125.799 5.083 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 110.598 -3.268 . 0.046 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 O4'-C1'-N19 110.527 2.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 99.42 -3.28 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.109 0 O4'-C1'-N19 110.935 2.735 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.086 0 O4'-C1'-N19 111.721 3.521 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C4'-C3'-C2' 99.382 -3.318 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.0 0 C4'-C3'-C2' 99.46 -3.24 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 99.37 -3.33 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.185 0 C4'-C3'-C2' 99.963 -2.737 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C5'-C4'-C3' 111.293 -2.804 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-O4' 112.702 2.501 . 0.222 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 N19-C1'-C2' 117.567 2.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.208 0 O4'-C1'-N19 111.564 3.364 . 0.04 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.813 -2.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.05 0 C4'-C3'-C2' 99.734 -2.966 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 C4'-C3'-C2' 99.39 -3.31 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 O4'-C1'-N19 111.131 2.931 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 C5'-C4'-O4' 113.417 3.012 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 O4'-C1'-N19 111.346 3.146 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C4'-C3' 109.237 2.669 . 0.122 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 1 O4'-C1'-N19 112.634 4.434 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 C4'-C3'-C2' 100.744 -1.956 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C4'-C3'-O3' 115.621 1.931 . 0.37 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 1 O4'-C1'-N19 112.841 4.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.681 0 C4'-C3'-O3' 117.917 2.814 . 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 O4'-C1'-N19 111.919 3.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 O4'-C1'-N19 111.93 3.73 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 112.079 3.879 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C4'-C3'-C2' 100.354 -2.346 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.132 0 O4'-C1'-N19 112.0 3.8 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.278 0 O4'-C1'-N19 110.264 2.064 . 0.071 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C4'-C3' 108.749 2.321 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C4'-C3'-C2' 99.193 -3.507 . 0.319 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 99.234 -3.466 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C4'-C3'-C2' 99.52 -3.18 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 O4'-C1'-N19 111.83 3.63 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.712 3.512 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.559 0.218 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.2 p -142.46 167.78 21.28 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.976 1.71 . . . . 0.0 111.623 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -63.64 156.4 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.395 1.078 . . . . 0.0 112.032 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.92 166.47 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.802 1.241 . . . . 0.0 112.379 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -160.48 171.85 18.28 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.665 1.586 . . . . 0.0 111.882 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.11 174.63 46.93 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.745 1.164 . . . . 0.0 113.209 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 56.26 -171.91 0.07 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 126.245 1.818 . . . . 0.0 114.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -152.49 176.1 12.03 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.546 1.938 . . . . 0.0 112.257 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 60.09 -156.67 0.34 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.22 1.808 . . . . 0.0 113.319 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -135.78 167.98 20.16 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.574 1.95 . . . . 0.0 112.621 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.5 ptm85 -139.81 154.37 47.33 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.439 1.496 . . . . 0.0 112.702 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 60.98 163.48 0.07 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.467 2.307 . . . . 0.0 114.172 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.88 178.07 37.87 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.735 1.636 . . . . 0.0 111.951 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.84 -175.52 42.09 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.284 0.945 . . . . 0.0 113.733 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -149.36 149.43 30.86 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.748 1.619 . . . . 0.0 110.102 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.84 160.51 40.65 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.103 1.361 . . . . 0.0 112.258 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -150.63 177.45 10.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.759 2.024 . . . . 0.0 110.664 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -127.58 172.55 10.64 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.89 1.276 . . . . 0.0 110.743 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.8 t -154.93 -176.15 5.79 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.587 1.555 . . . . 0.0 111.089 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -54.56 114.09 1.54 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.279 1.432 . . . . 0.0 111.719 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.4 mt -150.52 163.61 38.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.462 1.905 . . . . 0.0 110.522 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -151.41 159.12 44.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 127.73 2.412 . . . . 0.0 106.41 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.3 mmt-85 -72.86 13.44 0.38 Allowed 'General case' 0 N--CA 1.482 1.13 0 O-C-N 120.217 -1.552 . . . . 0.0 114.815 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -121.07 9.3 10.5 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 127.43 2.292 . . . . 0.0 111.695 173.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -120.53 154.09 35.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.305 1.442 . . . . 0.0 112.657 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.34 133.7 34.01 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.233 1.413 . . . . 0.0 113.891 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.19 60.76 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 174.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -92.47 -40.61 10.74 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.46 -6.84 7.54 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.328 55.4 mttm 67.94 9.51 7.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.111 2.164 . . . . 0.0 115.961 178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -67.44 174.78 3.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.887 0.875 . . . . 0.0 110.481 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -117.63 160.5 21.19 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.71 67.73 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 126.004 1.764 . . . . 0.0 114.754 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -156.79 175.91 13.45 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.719 1.608 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -116.45 164.88 13.91 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.591 1.956 . . . . 0.0 109.426 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.37 49.64 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 112.807 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -53.55 -20.38 4.94 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.903 2.081 . . . . 0.0 114.344 177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -131.28 16.45 5.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.887 2.075 . . . . 0.0 113.168 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -55.64 126.18 63.26 Favored Pre-proline 0 CA--C 1.555 1.142 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.39 -26.06 75.93 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 123.308 2.672 . . . . 0.0 114.497 176.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.48 -27.01 68.69 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.67 1.188 . . . . 0.0 112.934 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.62 151.58 95.41 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 124.057 0.943 . . . . 0.0 112.407 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -65.74 127.94 18.93 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.432 2.755 . . . . 0.0 111.08 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.5 mtm105 -137.52 43.56 2.29 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.165 1.786 . . . . 0.0 111.781 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' H ' ' HA ' ' A' ' 46' ' ' PRO . . . -174.58 -33.3 0.04 OUTLIER Glycine 0 CA--C 1.542 1.721 0 CA-C-O 117.037 -1.979 . . . . 0.0 117.284 -177.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HA ' ' H ' ' A' ' 45' ' ' GLY . 73.8 Cg_endo -57.91 -10.09 1.01 Allowed 'Cis proline' 0 C--N 1.357 1.009 0 CA-C-N 121.113 2.457 . . . . 0.0 116.21 -27.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 54.4 40.25 31.62 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.486 1.515 . . . . 0.0 112.548 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.32 -169.3 37.61 Favored Glycine 0 CA--C 1.54 1.613 0 C-N-CA 126.134 1.826 . . . . 0.0 112.477 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -66.62 167.0 20.19 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.593 2.862 . . . . 0.0 112.825 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -132.94 150.7 76.37 Favored Pre-proline 0 N--CA 1.478 0.948 0 C-N-CA 125.592 1.557 . . . . 0.0 111.905 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.82 171.07 18.13 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.71 2.94 . . . . 0.0 113.081 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -147.41 166.3 27.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.868 1.667 . . . . 0.0 111.522 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.6 p -139.89 163.09 33.58 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.286 1.434 . . . . 0.0 112.191 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.6 p -140.48 4.64 1.98 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.276 1.431 . . . . 0.0 114.567 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 CA--C 1.54 0.579 0 C-N-CA 125.917 1.687 . . . . 0.0 110.612 -179.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.165 0 C4'-C3'-C2' 99.602 -3.098 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.622 -3.078 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 O4'-C1'-N19 111.376 3.176 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 0 O4'-C1'-N19 111.452 3.252 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.37 0 O4'-C1'-N19 111.651 3.451 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 O4'-C1'-N19 111.701 3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 1 O4'-C1'-N19 112.264 4.064 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 O4'-C1'-N19 112.4 4.2 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 0 C5'-C4'-O4' 112.586 2.419 . 0.027 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.477 0 O4'-C1'-N19 111.639 3.439 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C4'-C3'-C2' 100.105 -2.595 . 0.124 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.25 3.05 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.283 0 O4'-C1'-N19 111.483 3.283 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 O4'-C1'-N19 111.125 2.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.298 0 O4'-C1'-N19 111.273 3.073 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 P-O3'-C3' 123.566 3.221 . 0.01 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 O4'-C1'-N19 111.493 3.293 . 0.096 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.697 1 C5'-C4'-O4' 115.166 4.262 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C4'-C3'-C2' 100.262 -2.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.494 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C4'-C3'-C2' 99.534 -3.166 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 O4'-C1'-N19 112.118 3.918 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 99.182 -3.518 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.03 0 O4'-C1'-N19 111.444 3.244 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 1 C4'-C3'-C2' 98.307 -4.393 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 1 O4'-C1'-N19 112.345 4.145 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 110.962 2.762 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 O4'-C1'-N19 111.238 3.038 . 0.872 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C4'-C3'-C2' 99.183 -3.517 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C4'-C3'-C2' 99.843 -2.857 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 O4'-C1'-N19 111.874 3.674 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 O4'-C1'-N19 110.749 2.549 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 O4'-C1'-N19 111.282 3.082 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 C5'-C4'-O4' 112.174 2.124 . 0.855 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.504 " H2'" H5'' ' B' ' 36' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 111.466 3.266 . 0.875 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.504 H5'' " H2'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.62 2.694 0 C4'-C3'-O3' 116.628 2.318 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.245 0 C5'-C4'-O4' 113.261 2.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 1 O4'-C1'-N19 112.676 4.476 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.188 0 O4'-C1'-N19 111.245 3.045 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 O4'-C1'-N19 111.658 3.458 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.82 -2.88 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 C4'-C3'-C2' 99.852 -2.848 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 C4'-C3'-C2' 99.219 -3.481 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 C4'-C3'-C2' 100.117 -2.583 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 C5'-C4'-O4' 114.037 3.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . 0.494 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 100.4 -2.3 . 0.398 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 N19-C1'-C2' 117.303 2.44 . 0.053 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.411 0 O4'-C1'-N19 111.638 3.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.791 -2.909 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.994 0 C4'-C3'-C2' 99.33 -3.37 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.046 0 C4'-C3'-C2' 99.493 -3.207 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.96 0 C4'-C3'-C2' 98.792 -3.908 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C5'-C4'-O4' 113.951 3.393 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 111.139 2.939 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 C4'-C3'-C2' 99.967 -2.733 . 0.647 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.455 0 O4'-C1'-N19 111.623 3.423 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 100.612 -2.088 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 C4'-C3'-O3' 115.892 2.036 . 0.221 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 1 O4'-C1'-N19 112.238 4.038 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.729 0 N19-C1'-C2' 117.763 2.727 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.385 0 O4'-C1'-N19 111.907 3.707 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.869 3.669 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.944 0 O4'-C1'-N19 111.9 3.7 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.963 0 C4'-C3'-C2' 100.293 -2.407 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 0 O4'-C1'-N19 111.228 3.028 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 0 O4'-C1'-N19 110.156 1.956 . 0.09 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 O5'-C5'-C4' 114.803 3.288 . 0.288 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 C4'-C3'-C2' 99.897 -2.803 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.57 -3.13 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 99.772 -2.928 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C4'-C3'-C2' 99.266 -3.434 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.891 3.691 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.4 p -140.54 164.08 31.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.762 1.625 . . . . 0.0 111.769 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -129.4 -7.37 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 125.016 1.327 . . . . 0.0 114.401 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 t 54.18 28.51 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 126.473 1.909 . . . . 0.0 114.13 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 m -75.46 47.49 0.39 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.206 1.802 . . . . 0.0 113.483 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.69 -166.34 33.05 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.688 1.137 . . . . 0.0 114.159 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -133.17 160.56 36.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.952 1.701 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -146.57 165.53 29.21 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.19 1.796 . . . . 0.0 110.521 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 62.29 -170.12 0.17 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.857 1.663 . . . . 0.0 112.278 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -145.65 156.62 43.77 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.352 1.061 . . . . 0.0 112.135 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -7.72 4.74 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 116.505 2.039 . . . . 0.0 116.505 -176.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -124.52 14.65 8.83 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.749 1.619 . . . . 0.0 112.559 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.4 15.06 9.84 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.155 1.359 . . . . 0.0 115.354 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.89 -179.36 42.8 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.228 1.394 . . . . 0.0 113.497 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -151.85 140.58 20.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.006 1.322 . . . . 0.0 112.003 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -62.6 157.57 20.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.125 1.37 . . . . 0.0 113.456 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -146.9 139.72 25.14 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.361 1.464 . . . . 0.0 111.601 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 ttp-105 -160.0 153.82 22.89 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.387 1.875 . . . . 0.0 110.011 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.0 p -97.51 16.59 19.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.431 1.492 . . . . 0.0 114.894 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 50.38 41.24 24.47 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.388 1.475 . . . . 0.0 112.774 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.266 0.0 OUTLIER -57.57 166.31 1.34 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -177.687 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -131.6 161.12 33.42 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.553 2.341 . . . . 0.0 107.213 174.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.5 mmt-85 -70.78 14.07 0.16 Allowed 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -119.76 5.58 10.98 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 127.125 2.17 . . . . 0.0 112.098 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -116.57 155.05 29.38 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.068 1.747 . . . . 0.0 112.534 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -88.05 131.15 34.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.792 1.237 . . . . 0.0 112.734 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.79 -16.26 61.63 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -99.9 -30.73 11.86 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 116.233 1.938 . . . . 0.0 116.233 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.59 -5.97 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.8 mptt 66.14 8.64 5.66 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 127.072 2.149 . . . . 0.0 115.554 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -69.74 175.2 4.41 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.828 0.851 . . . . 0.0 110.347 170.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -121.79 164.37 17.57 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.08 -2.59 72.01 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.846 1.689 . . . . 0.0 114.136 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -156.33 172.89 17.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.28 1.832 . . . . 0.0 111.382 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -113.4 167.33 10.67 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.237 1.815 . . . . 0.0 109.233 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.83 -34.47 27.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.16 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -57.63 -17.17 13.13 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.164 2.186 . . . . 0.0 113.635 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -132.16 15.88 4.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.248 2.219 . . . . 0.0 112.185 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.5 t -56.14 125.7 65.0 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.38 -15.73 38.7 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.957 2.438 . . . . 0.0 113.232 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -71.45 -23.55 61.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.38 1.072 . . . . 0.0 112.009 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -75.64 151.13 84.77 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 124.027 0.931 . . . . 0.0 113.017 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.53 178.36 6.32 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.81 3.007 . . . . 0.0 111.867 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.58 30.07 4.97 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.106 1.362 . . . . 0.0 113.582 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.79 -52.07 0.35 Allowed Glycine 0 CA--C 1.538 1.53 0 C-N-CA 126.019 1.771 . . . . 0.0 113.107 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -58.44 -24.21 2.1 Favored 'Cis proline' 0 CA--C 1.543 0.967 0 CA-C-N 118.494 1.147 . . . . 0.0 114.516 -29.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 47.08 33.4 2.35 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 127.076 2.15 . . . . 0.0 115.084 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.35 55.04 0.02 OUTLIER Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.248 1.404 . . . . 0.0 114.608 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.09 157.65 60.86 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.103 2.536 . . . . 0.0 112.054 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -149.65 136.22 10.68 Favored Pre-proline 0 N--CA 1.477 0.916 0 C-N-CA 125.222 1.409 . . . . 0.0 111.095 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -72.0 167.36 26.92 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.175 2.583 . . . . 0.0 112.595 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -134.55 -19.3 1.88 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.607 1.163 . . . . 0.0 113.793 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.0 p -141.69 162.95 34.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.71 1.604 . . . . 0.0 111.669 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.2 p -140.27 7.6 2.2 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.234 1.414 . . . . 0.0 114.319 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 N--CA 1.471 0.616 0 C-N-CA 126.018 1.727 . . . . 0.0 112.474 -179.428 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.203 0 C4'-C3'-C2' 99.56 -3.14 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 99.436 -3.264 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 111.69 3.49 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 112.062 3.862 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.499 0 O4'-C1'-N19 111.915 3.715 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 1 O4'-C1'-N19 112.566 4.366 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 C5'-C4'-C3' 109.781 -3.812 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 1 O4'-C1'-N19 112.265 4.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 1 C5'-C4'-C3' 109.016 -4.323 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 O4'-C1'-N19 111.161 2.961 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 111.119 2.919 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 0 C4'-C3'-C2' 99.495 -3.205 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.542 0 C4'-C3'-C2' 100.056 -2.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.343 0 C3'-C2'-C1' 103.861 2.623 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.399 0 C5'-C4'-C3' 109.57 -3.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C4'-C3' 108.677 2.27 . 0.226 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.468 0 C3'-C2'-C1' 104.654 3.505 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . 0.401 " H3'" " H5'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.324 0 N19-C1'-C2' 117.352 2.47 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.459 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 99.223 -3.477 . 0.271 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.097 1 O4'-C1'-N19 112.362 4.162 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C4'-C3'-C2' 99.02 -3.68 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 O4'-C1'-N19 110.952 2.752 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 112.147 3.947 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.126 1 O4'-C1'-N19 112.233 4.033 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 111.249 3.049 . 0.855 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 O4'-C1'-N19 111.324 3.124 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 99.006 -3.694 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 C4'-C3'-C2' 100.125 -2.575 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 C3'-C2'-C1' 104.603 3.448 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C3'-C2'-C1' 104.118 2.909 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.379 1 O4'-C1'-N19 112.392 4.192 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.361 0 C4'-C3'-C2' 99.174 -3.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 98.935 -3.765 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 99.402 -3.298 . 0.181 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.765 1 O4'-C1'-N19 112.971 4.771 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.143 1 O4'-C1'-N19 113.114 4.914 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C5'-C4'-O4' 112.548 2.392 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C4'-C3'-C2' 99.331 -3.369 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.428 -3.272 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C4'-C3'-C2' 99.787 -2.913 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 C4'-C3'-C2' 99.764 -2.936 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 C4'-C3'-C2' 100.504 -2.196 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 100.61 -2.09 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . 0.459 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.711 0 C3'-C2'-C1' 105.077 3.975 . 0.217 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 1 P-O3'-C3' 124.632 4.11 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 P-O3'-C3' 124.688 4.156 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.004 0 O4'-C1'-N19 111.964 3.764 . 0.403 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.236 0 O4'-C1'-N19 111.682 3.482 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 0 C4'-C3'-C2' 99.573 -3.127 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.94 0 C4'-C3'-C2' 98.725 -3.975 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C5'-C4'-O4' 113.546 3.105 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.384 1 O4'-C1'-N19 112.799 4.599 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 N19-C1'-C2' 116.564 1.978 . 0.471 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.687 0 O4'-C1'-N19 111.492 3.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 P-O3'-C3' 123.395 3.079 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 110.681 2.481 . 0.136 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.182 1 O4'-C1'-N19 113.288 5.088 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.627 0 C4'-C3'-O3' 118.443 3.016 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.392 0 O4'-C1'-N19 111.515 3.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.195 0 O4'-C1'-N19 111.415 3.215 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 98.966 -3.734 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.962 0 C4'-C3'-C2' 99.444 -3.256 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 C4'-C3'-C2' 99.077 -3.623 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 110.422 2.222 . 0.01 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C4'-C3'-C2' 99.499 -3.201 . 0.114 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 1 C4'-C3'-C2' 98.676 -4.024 . 0.638 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C4'-C3'-C2' 99.243 -3.457 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 99.535 -3.165 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.256 0 O4'-C1'-N19 111.664 3.464 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 O4'-C1'-N19 111.834 3.634 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.629 0.252 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 p -138.79 166.33 24.7 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.783 1.633 . . . . 0.0 111.451 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.6 t 48.7 33.18 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 126.292 1.837 . . . . 0.0 113.471 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 t 53.0 28.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 126.422 1.889 . . . . 0.0 113.199 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 p -64.95 -20.15 66.32 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.22 169.57 38.55 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 125.334 1.445 . . . . 0.0 112.998 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -156.73 155.43 31.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.145 1.378 . . . . 0.0 111.992 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -147.91 15.98 1.08 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -126.8 3.45 6.67 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.334 1.454 . . . . 0.0 113.417 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.82 -9.66 58.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.703 1.601 . . . . 0.0 113.565 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -150.35 174.64 12.64 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.121 2.168 . . . . 0.0 111.762 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -143.4 155.59 44.44 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.288 1.435 . . . . 0.0 111.269 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -164.58 179.96 39.02 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.161 1.363 . . . . 0.0 113.359 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.03 18.53 0.02 OUTLIER Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.731 1.158 . . . . 0.0 115.247 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -84.28 13.88 4.89 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.894 2.078 . . . . 0.0 115.399 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -132.59 159.19 40.22 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.154 1.381 . . . . 0.0 113.182 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.4 mmt-85 -144.05 177.97 8.2 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.667 2.387 . . . . 0.0 109.972 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -47.27 -39.51 14.59 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.369 1.468 . . . . 0.0 114.261 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.6 t 65.75 -58.57 0.31 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.885 2.474 . . . . 0.0 114.25 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -169.04 133.59 1.48 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 127.027 2.131 . . . . 0.0 109.508 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt -143.27 -178.17 5.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.712 1.605 . . . . 0.0 109.68 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -152.95 155.43 36.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.318 1.847 . . . . 0.0 106.66 173.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.12 1.71 2.62 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -176.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -120.2 3.8 10.86 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.527 1.931 . . . . 0.0 113.173 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -100.56 158.59 15.82 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.198 0.908 . . . . 0.0 112.338 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.5 t -94.63 128.17 41.09 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.746 1.218 . . . . 0.0 112.748 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.71 -4.0 37.91 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -109.23 -29.38 8.53 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.58 -4.04 3.73 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.6 mttp 71.61 4.91 5.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.951 2.1 . . . . 0.0 115.363 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -62.48 161.26 12.13 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.579 1.081 . . . . 0.0 111.461 175.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.13 134.67 54.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.364 1.465 . . . . 0.0 110.424 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.15 -5.05 18.07 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.836 1.684 . . . . 0.0 114.704 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -156.51 169.11 25.39 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.484 1.514 . . . . 0.0 111.773 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -107.86 166.28 10.82 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.748 1.619 . . . . 0.0 110.804 177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.21 45.14 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.28 -0.887 . . . . 0.0 111.794 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -54.66 -17.44 3.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 127.019 2.127 . . . . 0.0 113.932 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -128.59 7.4 5.75 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.315 2.246 . . . . 0.0 113.187 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.5 t -54.44 129.13 61.27 Favored Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -69.19 -17.23 40.28 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.123 2.549 . . . . 0.0 113.15 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -71.07 -21.41 62.24 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.835 0.743 . . . . 0.0 112.119 175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -77.15 144.18 71.09 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 123.645 0.778 . . . . 0.0 111.9 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.9 -18.53 31.58 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.152 2.568 . . . . 0.0 113.521 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -68.8 155.59 39.9 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.244 1.418 . . . . 0.0 112.213 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.79 -179.44 36.46 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 125.084 1.326 . . . . 0.0 113.707 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -61.62 156.81 57.53 Favored 'Cis proline' 0 CA--C 1.544 0.981 0 C-N-CA 125.031 -0.82 . . . . 0.0 113.807 -27.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.93 162.19 36.84 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.887 2.075 . . . . 0.0 111.322 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.51 -161.87 24.45 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.558 1.075 . . . . 0.0 113.448 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -63.14 157.11 51.18 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.059 2.506 . . . . 0.0 113.392 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -136.47 74.77 52.97 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 126.737 2.015 . . . . 0.0 110.503 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.24 159.65 7.65 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 124.257 3.304 . . . . 0.0 114.73 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -91.45 16.99 9.17 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.34 1.456 . . . . 0.0 113.07 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 m 54.67 28.94 10.73 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 126.115 1.766 . . . . 0.0 113.154 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.0 p -157.72 166.44 32.77 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.301 1.841 . . . . 0.0 111.642 -179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.5 tp . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.206 1.402 . . . . 0.0 111.303 -179.686 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.094 0 C4'-C3'-C2' 99.58 -3.12 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C4'-C3'-C2' 99.56 -3.14 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.979 3.779 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 O4'-C1'-N19 111.747 3.547 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.648 3.448 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.376 1 O4'-C1'-N19 112.541 4.341 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.393 1 O4'-C1'-N19 112.305 4.105 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C5'-C4'-C3' 110.637 -3.242 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.592 0 C5'-C4'-O4' 112.991 2.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.099 0 C5'-C4'-C3' 110.544 -3.304 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 O4'-C1'-N19 111.516 3.316 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 112.017 3.817 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.966 0 O4'-C1'-N19 112.032 3.832 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 C4'-C3'-C2' 99.691 -3.009 . 0.01 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.365 0 O4'-C1'-N19 110.519 2.319 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.188 0 C5'-C4'-C3' 109.647 -3.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C4'-C3' 108.613 2.224 . 0.618 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.456 1 O4'-C1'-N19 113.006 4.806 . 0.015 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C5'-C4'-C3' 110.427 -3.382 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.624 0 C4'-C3'-C2' 99.737 -2.963 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.944 3.744 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.964 0 C4'-C3'-C2' 99.043 -3.657 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.974 0 O4'-C1'-N19 111.022 2.822 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 1 C4'-C3'-C2' 98.407 -4.293 . 0.633 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 1 O4'-C1'-N19 112.411 4.211 . 0.405 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 O4'-C1'-N19 111.434 3.234 . 0.901 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 O4'-C1'-N19 111.617 3.417 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 O4'-C1'-N19 111.37 3.17 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 99.273 -3.427 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 O4'-C1'-N19 111.925 3.725 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 0 O4'-C1'-N19 111.607 3.407 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 110.806 2.606 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.227 0 C4'-C3'-C2' 99.418 -3.282 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.507 0 C3'-C2'-C1' 103.875 2.639 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C5'-C4'-O4' 113.931 3.38 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 1 O4'-C1'-N19 112.236 4.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.104 1 O4'-C1'-N19 112.707 4.507 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 111.094 2.894 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C4'-C3'-C2' 99.351 -3.349 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 99.21 -3.49 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.973 0 C4'-C3'-C2' 99.689 -3.011 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 99.961 -2.739 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.328 0 C5'-C4'-O4' 112.484 2.345 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C2'-C3'-O3' 116.496 1.963 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C3'-C2'-C1' 104.438 3.265 . 0.545 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 C4'-C3'-C2' 99.106 -3.594 . 0.07 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.245 3.045 . 0.109 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 0 C5'-C4'-O4' 114.753 3.966 . 0.034 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 111.895 3.695 . 0.857 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.605 -3.095 . 0.852 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 C4'-C3'-C2' 99.116 -3.584 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-O4' 114.37 3.693 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . 0.46 " H2'" ' C5 ' ' B' ' 55' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 O4'-C1'-N19 111.563 3.363 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . 0.46 ' C5 ' " H2'" ' B' ' 54' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 100.28 -2.42 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 112.147 3.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.134 0 O4'-C1'-N19 111.208 3.008 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.61 3.41 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.019 2 O4'-C1'-N19 113.642 5.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 N19-C1'-C2' 117.12 2.325 . 0.01 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.53 1 O5'-C5'-C4' 117.119 4.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 O4'-C1'-N19 111.873 3.673 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 1 O4'-C1'-N19 112.245 4.045 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 O4'-C1'-N19 111.305 3.105 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C5'-C4'-O4' 113.006 2.719 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 C5'-C4'-O4' 111.731 1.808 . 0.223 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 O4'-C4'-C3' 109.031 2.522 . 0.553 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 99.64 -3.06 . 0.242 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 C4'-C3'-C2' 99.206 -3.494 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C4'-C3'-C2' 99.442 -3.258 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 O4'-C1'-N19 111.955 3.755 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 O4'-C1'-N19 111.96 3.76 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.312 0.101 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.0 p -129.55 -6.26 4.69 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.049 1.339 . . . . 0.0 114.314 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.6 m -143.94 165.59 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 126.378 1.871 . . . . 0.0 111.328 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.8 t -138.51 135.31 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.62 1.568 . . . . 0.0 109.34 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -143.94 158.19 43.86 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.192 1.397 . . . . 0.0 112.173 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.85 18.73 0.15 Allowed Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.348 0.975 . . . . 0.0 115.347 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.17 149.91 40.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.396 1.478 . . . . 0.0 112.312 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -134.13 173.27 11.78 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.961 1.704 . . . . 0.0 111.584 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -143.76 175.67 9.82 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.948 1.299 . . . . 0.0 113.084 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -139.69 167.36 22.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.452 1.901 . . . . 0.0 111.44 178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -132.02 137.82 47.99 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.026 1.33 . . . . 0.0 110.831 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -135.54 9.99 3.42 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.485 1.514 . . . . 0.0 113.164 -177.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.76 -175.8 47.72 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.615 1.579 . . . . 0.0 112.336 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.3 47.01 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 123.787 0.708 . . . . 0.0 114.461 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.22 164.1 39.08 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.459 1.904 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm-85 -134.69 2.43 3.18 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.906 1.282 . . . . 0.0 114.155 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -45.02 -30.18 0.99 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 127.104 2.162 . . . . 0.0 116.371 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -116.81 15.48 15.32 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.138 1.775 . . . . 0.0 113.972 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.2 t 61.06 178.33 0.11 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.247 2.219 . . . . 0.0 113.54 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -84.33 36.89 0.6 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.749 1.619 . . . . 0.0 112.161 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 mt -65.9 160.25 23.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.408 1.483 . . . . 0.0 114.253 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -154.32 163.83 39.54 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 128.997 2.919 . . . . 0.0 106.312 174.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 mmt-85 -72.09 17.29 0.1 Allowed 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.161 -1.587 . . . . 0.0 114.37 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -117.68 2.46 12.29 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 129.609 3.164 . . . . 0.0 111.658 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -125.54 164.53 20.31 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.493 1.517 . . . . 0.0 112.834 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -96.1 127.42 42.09 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.058 1.343 . . . . 0.0 112.401 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.55 -7.86 55.26 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -100.43 -28.76 12.76 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -131.72 -3.29 3.7 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 71.78 4.67 5.12 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.037 2.135 . . . . 0.0 114.902 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -71.23 172.34 9.46 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 119.657 1.117 . . . . 0.0 112.779 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -117.1 149.21 40.69 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.691 1.997 . . . . 0.0 111.882 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.7 -6.63 55.0 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.387 1.47 . . . . 0.0 115.453 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -153.7 174.39 14.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.628 1.571 . . . . 0.0 111.431 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -115.55 167.49 10.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.536 1.934 . . . . 0.0 109.909 176.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.05 -35.49 25.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.187 0.995 . . . . 0.0 112.261 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -53.2 -20.5 4.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.316 1.846 . . . . 0.0 114.189 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -132.92 15.73 4.26 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.365 2.266 . . . . 0.0 112.644 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.5 t -56.05 127.41 69.47 Favored Pre-proline 0 CA--C 1.553 1.066 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -66.97 -20.36 51.08 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.671 2.247 . . . . 0.0 113.146 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -72.49 -21.54 61.19 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 177.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.99 151.86 97.08 Favored Pre-proline 0 N--CA 1.478 0.926 0 CA-C-N 119.278 0.945 . . . . 0.0 111.95 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -72.15 -9.56 24.63 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.236 2.624 . . . . 0.0 114.511 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -65.18 151.2 46.71 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.761 1.224 . . . . 0.0 112.319 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.06 -37.63 0.19 Allowed Glycine 0 CA--C 1.542 1.747 0 CA-C-O 117.286 -1.841 . . . . 0.0 115.445 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -52.62 170.45 3.19 Favored 'Cis proline' 0 CA--C 1.542 0.921 0 CA-C-N 120.122 1.961 . . . . 0.0 114.295 -29.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -138.8 168.45 19.79 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.152 1.781 . . . . 0.0 111.365 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.03 175.27 52.49 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 124.111 0.862 . . . . 0.0 113.632 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.83 168.14 22.51 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 123.76 2.973 . . . . 0.0 112.903 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 44.09 77.48 0.45 Allowed Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 127.52 2.328 . . . . 0.0 114.26 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.09 170.75 16.24 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 123.61 2.873 . . . . 0.0 112.36 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -119.62 10.55 11.78 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 t -139.6 4.73 2.17 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.147 1.379 . . . . 0.0 113.447 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -151.97 169.53 22.11 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.801 1.64 . . . . 0.0 111.714 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 N--CA 1.47 0.567 0 C-N-CA 125.385 1.474 . . . . 0.0 112.551 -179.511 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C4'-C3'-C2' 99.914 -2.786 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 C4'-C3'-C2' 99.954 -2.746 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C4'-C3'-C2' 100.064 -2.636 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C4'-C3'-C2' 98.916 -3.784 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 O4'-C1'-N19 111.704 3.504 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.871 3.671 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 O4'-C1'-N19 112.071 3.871 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.033 0 C3'-C2'-C1' 104.205 3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.068 -3.632 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 2 C5'-C4'-C3' 108.024 -4.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 O4'-C1'-N19 111.699 3.499 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 1 O4'-C1'-N19 112.631 4.431 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 C3'-C2'-C1' 104.896 3.773 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . 0.425 ' N6 ' ' C2 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.885 1 O5'-C5'-C4' 116.255 4.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.528 0 C3'-C2'-C1' 103.758 2.509 . 0.214 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.121 0 O5'-C5'-C4' 115.781 3.987 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C5'-C4'-O4' 111.988 1.991 . 0.573 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.498 0 O4'-C1'-N19 112.141 3.941 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.808 0 O5'-C5'-C4' 114.024 2.732 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.425 ' C2 ' ' N6 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C5'-C4'-O4' 113.27 2.907 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 O4'-C1'-N19 111.978 3.778 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.071 0 C4'-C3'-C2' 99.165 -3.535 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 O4'-C1'-N19 110.722 2.522 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 1 O4'-C1'-N19 112.209 4.009 . 0.752 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 1 O4'-C1'-N19 112.62 4.42 . 0.449 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 O4'-C1'-N19 111.442 3.242 . 0.889 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 O4'-C1'-N19 111.705 3.505 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 0 O4'-C1'-N19 111.755 3.555 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C4'-C3'-C2' 99.744 -2.956 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.789 3.589 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 0 O4'-C1'-N19 111.737 3.537 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 C4'-C3'-C2' 99.7 -3.0 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C5'-C4'-O4' 111.772 1.837 . 0.708 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 C5'-C4'-O4' 112.071 2.051 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 99.431 -3.269 . 0.397 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 O4'-C1'-N19 110.998 2.798 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.983 1 O4'-C1'-N19 113.332 5.132 . 0.042 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.163 0 C5'-C4'-O4' 113.649 3.178 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.339 -3.361 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 0 C4'-C3'-C2' 99.412 -3.288 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 C4'-C3'-C2' 99.738 -2.962 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.485 -3.215 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 99.838 -2.862 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C5'-C4'-O4' 113.66 3.185 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 C3'-C2'-C1' 103.524 2.249 . 0.496 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O5'-C5'-C4' 114.863 3.331 OUTLIER-EPSILON 0.231 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 1 P-O3'-C3' 125.312 4.677 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 99.908 -2.792 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 O4'-C1'-N19 111.244 3.044 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 0 C4'-C3'-C2' 99.301 -3.399 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 C4'-C3'-C2' 98.902 -3.798 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 C5'-C4'-O4' 113.841 3.315 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 O4'-C1'-N19 111.611 3.411 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 0 C4'-C3'-C2' 99.595 -3.105 . 0.604 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O4'-C1'-N19 111.974 3.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 C4'-C3'-C2' 100.978 -1.722 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 O5'-C5'-C4' 113.01 2.007 . 0.204 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.105 1 O4'-C1'-N19 112.834 4.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 0 O4'-C1'-N19 111.775 3.575 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.116 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C4'-C3'-C2' 99.193 -3.507 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 O4'-C1'-N19 111.883 3.683 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.943 0 C4'-C3'-C2' 99.793 -2.907 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 C4'-C3'-C2' 99.289 -3.411 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C4'-C3'-C2' 99.326 -3.374 . 0.131 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C4'-C3'-C2' 100.095 -2.605 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O5'-C5'-C4' 113.752 2.537 . 0.331 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C4'-C3'-C2' 99.383 -3.317 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 99.825 -2.875 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 C4'-C3'-C2' 99.49 -3.21 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.59 3.39 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.522 0.201 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.3 p -140.72 163.87 31.74 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.729 1.612 . . . . 0.0 111.919 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -141.63 164.74 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 126.102 1.761 . . . . 0.0 111.393 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 p -150.24 148.25 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.111 1.364 . . . . 0.0 111.071 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -157.93 157.34 32.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.307 1.443 . . . . 0.0 111.395 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.61 -178.93 36.41 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.985 1.279 . . . . 0.0 113.794 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -146.41 131.07 17.88 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.529 1.532 . . . . 0.0 109.613 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.29 152.73 40.31 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.646 1.178 . . . . 0.0 113.161 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -145.22 163.23 35.05 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.354 1.861 . . . . 0.0 111.029 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -135.37 6.22 3.27 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.656 1.182 . . . . 0.0 113.47 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 47.18 34.92 3.26 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.825 2.05 . . . . 0.0 114.337 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -155.32 134.59 12.38 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.847 1.659 . . . . 0.0 109.783 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.65 170.46 32.46 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.569 1.08 . . . . 0.0 113.189 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 139.16 176.46 14.72 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.159 1.362 . . . . 0.0 113.314 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -154.32 154.08 32.75 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.131 1.372 . . . . 0.0 110.566 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -152.48 163.25 39.92 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.85 1.26 . . . . 0.0 113.389 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -148.38 120.86 8.5 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.963 1.705 . . . . 0.0 111.301 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.8 ttm105 -162.88 160.22 24.73 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 127.008 2.123 . . . . 0.0 109.151 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -129.84 51.11 2.11 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.804 1.241 . . . . 0.0 112.113 -177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 49.83 50.97 17.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.996 1.718 . . . . 0.0 112.824 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.24 166.36 2.99 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 123.226 1.488 . . . . 0.0 114.191 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -140.78 143.44 34.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.704 2.802 . . . . 0.0 106.528 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -64.24 2.45 0.58 Allowed 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -126.73 15.28 7.53 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.514 1.926 . . . . 0.0 113.168 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -127.99 139.06 52.78 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 121.075 -1.015 . . . . 0.0 113.379 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.2 t -69.37 132.65 46.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.46 1.904 . . . . 0.0 115.135 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.68 -16.27 59.57 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -94.92 -63.06 1.21 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.768 1.227 . . . . 0.0 113.863 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.1 -8.43 25.24 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt 74.84 6.13 4.38 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 127.888 2.475 . . . . 0.0 115.569 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -67.37 171.48 5.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.21 0.914 . . . . 0.0 112.204 174.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -114.12 159.46 20.02 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.966 1.307 . . . . 0.0 112.973 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.66 -3.5 68.19 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 125.639 1.59 . . . . 0.0 114.359 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -158.61 175.76 13.24 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.761 1.624 . . . . 0.0 112.116 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -114.6 163.13 15.84 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 127.0 2.12 . . . . 0.0 109.992 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.27 58.98 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.856 1.262 . . . . 0.0 112.18 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -55.1 -18.93 6.24 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.694 1.997 . . . . 0.0 114.048 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -133.07 14.45 4.24 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.332 2.253 . . . . 0.0 112.907 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -56.64 130.22 77.11 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.773 1.229 . . . . 0.0 113.724 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -70.77 -11.75 29.97 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.213 2.609 . . . . 0.0 113.344 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -102.0 -6.62 23.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.999 1.72 . . . . 0.0 112.323 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.96 136.18 96.5 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 118.184 -0.912 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.14 161.37 6.86 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 123.542 2.828 . . . . 0.0 113.475 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -112.63 28.94 8.35 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.987 1.315 . . . . 0.0 113.084 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.02 -25.35 69.29 Favored Glycine 0 CA--C 1.545 1.935 0 CA-C-O 116.677 -2.179 . . . . 0.0 116.786 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -51.55 -25.78 0.45 Allowed 'Cis proline' 0 C--N 1.36 1.156 0 CA-C-N 121.655 2.728 . . . . 0.0 115.443 -26.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.1 ttm180 67.29 162.91 0.19 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.371 2.268 . . . . 0.0 113.805 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.52 65.11 0.11 Allowed Glycine 0 CA--C 1.538 1.523 0 CA-C-O 118.317 -1.268 . . . . 0.0 113.911 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.44 155.96 33.44 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.485 2.79 . . . . 0.0 113.283 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -66.46 145.19 98.94 Favored Pre-proline 0 N--CA 1.477 0.924 0 C-N-CA 123.178 0.591 . . . . 0.0 111.169 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.2 146.98 59.02 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.804 2.336 . . . . 0.0 112.133 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -143.11 3.96 1.4 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m 42.27 40.49 1.8 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 126.607 1.963 . . . . 0.0 114.114 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.8 m 56.93 14.87 2.04 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 126.596 1.958 . . . . 0.0 116.007 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 127.331 2.252 . . . . 0.0 114.357 -179.593 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.252 0 C4'-C3'-C2' 99.634 -3.066 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.695 -3.005 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C4'-C3'-C2' 99.292 -3.408 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 O4'-C1'-N19 111.995 3.795 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 1 O4'-C1'-N19 112.333 4.133 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-O3' 119.057 3.253 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.232 3 P-O3'-C3' 125.333 4.695 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.503 1 P-O3'-C3' 126.423 5.602 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 2 O4'-C1'-N19 113.017 4.817 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.894 2 C5'-C4'-C3' 107.812 -5.125 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 C4'-C3'-C2' 99.802 -2.898 . 0.268 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 111.123 2.923 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.423 0 O4'-C1'-N19 111.567 3.367 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 0 C4'-C3'-C2' 99.317 -3.383 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 C5'-C4'-O4' 113.379 2.985 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 0 O4'-C1'-N19 111.492 3.292 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 C5'-C4'-O4' 113.563 3.117 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.477 1 O4'-C1'-N19 113.324 5.124 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 N19-C1'-C2' 118.778 3.361 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.429 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.624 3.09 0 C4'-C3'-C2' 99.748 -2.952 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 O4'-C1'-N19 112.029 3.829 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C4'-C3'-C2' 99.257 -3.443 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.928 0 C5'-C4'-O4' 112.814 2.581 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.072 2 C4'-C3'-C2' 98.165 -4.535 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.272 1 O4'-C1'-N19 112.467 4.267 . 0.333 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 O4'-C1'-N19 111.194 2.994 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 111.413 3.213 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C4'-C3'-C2' 99.252 -3.448 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 C4'-C3'-C2' 99.519 -3.181 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 O4'-C1'-N19 111.832 3.632 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.721 3.521 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.795 -2.905 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C5'-C4'-O4' 112.285 2.204 . 0.749 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 0 C5'-C4'-O4' 112.609 2.435 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.372 0 O4'-C1'-N19 111.136 2.936 . 0.167 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C4'-C3'-C2' 99.322 -3.378 . 0.01 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.497 " H2'" ' C8 ' ' B' ' 39' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.537 2.056 1 C4'-C3'-C2' 98.313 -4.387 . 0.581 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.497 ' C8 ' " H2'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C4'-C3'-C2' 99.621 -3.079 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 O4'-C1'-N19 111.714 3.514 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.615 -3.085 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C4'-C3'-C2' 99.816 -2.884 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.611 -3.089 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.021 0 O4'-C1'-N19 111.179 2.979 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C5'-C4'-O4' 113.553 3.109 . 0.252 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . 0.429 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C4'-C3' 109.148 2.606 . 0.453 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 P-O3'-C3' 122.788 2.574 . 0.76 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.842 0 O4'-C1'-N19 111.527 3.327 . 0.157 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 P-O3'-C3' 123.513 3.177 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 110.78 2.58 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.42 -3.28 . 0.858 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.982 0 C4'-C3'-C2' 99.405 -3.295 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C5'-C4'-O4' 113.358 2.97 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 111.659 3.459 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 110.771 2.571 . 0.143 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.826 3.626 . 0.037 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 C4'-C3'-C2' 99.427 -3.273 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 1 O4'-C1'-N19 112.359 4.159 OUTLIER-DELTA 0.01 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 1 O4'-C1'-N19 113.516 5.316 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 O4'-C1'-N19 112.914 4.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 1 O4'-C1'-N19 112.5 4.3 . 0.291 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 C4'-C3'-C2' 99.15 -3.55 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 O4'-C1'-N19 111.834 3.634 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 110.927 2.727 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.148 0 O4'-C1'-N19 111.331 3.131 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.195 0 C4'-C3'-C2' 100.666 -2.034 . 0.194 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 100.983 -1.717 . 0.424 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 C4'-C3'-C2' 99.724 -2.976 . 0.13 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C4'-C3'-C2' 99.363 -3.337 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.651 -3.049 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.301 -3.399 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 O4'-C1'-N19 111.786 3.586 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.602 0.239 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.8 p -72.34 168.06 19.16 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.517 1.127 . . . . 0.0 112.349 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 t -72.94 -22.08 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.116 0.967 . . . . 0.0 112.676 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.4 t 69.34 -4.85 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 C-N-CA 127.181 2.192 . . . . 0.0 113.302 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 m -135.12 11.33 3.57 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.811 2.044 . . . . 0.0 112.281 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.64 -179.75 42.48 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.055 1.788 . . . . 0.0 112.466 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -149.44 -20.27 0.28 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.12 1.368 . . . . 0.0 113.862 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -136.93 -3.02 2.05 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 125.545 1.538 . . . . 0.0 114.535 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -77.1 160.45 29.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.955 2.102 . . . . 0.0 112.182 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -132.39 10.0 4.41 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.337 1.455 . . . . 0.0 113.255 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -150.61 170.27 19.56 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.752 1.621 . . . . 0.0 112.788 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -132.45 20.79 4.33 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.946 1.698 . . . . 0.0 112.065 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.1 -172.12 30.19 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 126.149 1.833 . . . . 0.0 112.261 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.55 -173.49 37.13 Favored Glycine 0 CA--C 1.535 1.313 0 O-C-N 121.887 -0.772 . . . . 0.0 114.919 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -145.52 163.38 34.9 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.468 1.907 . . . . 0.0 110.449 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -129.72 149.22 51.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.12 1.368 . . . . 0.0 113.277 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.3 -26.58 61.09 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 125.774 1.629 . . . . 0.0 114.887 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -58.46 -25.82 62.68 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.336 1.455 . . . . 0.0 114.049 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 64.9 m 41.78 52.0 4.07 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.752 1.621 . . . . 0.0 113.071 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 68.26 125.42 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.484 2.714 . . . . 0.0 113.437 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.3 mt -147.22 162.47 38.84 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.586 1.554 . . . . 0.0 111.384 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -150.72 152.2 33.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.243 2.217 . . . . 0.0 107.425 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.82 -7.97 25.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -109.33 12.1 24.92 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.064 1.746 . . . . 0.0 112.393 174.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -114.55 160.79 18.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.646 1.178 . . . . 0.0 112.554 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -91.49 129.53 37.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.074 1.35 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.49 -1.97 36.34 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -107.89 -31.18 8.11 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -129.04 -5.16 5.0 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 73.89 -0.89 3.23 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.196 2.198 . . . . 0.0 115.353 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -68.26 174.97 3.54 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.493 1.042 . . . . 0.0 112.102 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -120.22 163.84 17.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.268 1.427 . . . . 0.0 113.839 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.22 -0.5 85.77 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.762 1.648 . . . . 0.0 114.707 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -157.22 175.02 14.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.466 1.506 . . . . 0.0 112.366 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -119.9 167.32 12.24 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.895 2.078 . . . . 0.0 110.141 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.85 -40.26 20.87 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.686 1.194 . . . . 0.0 113.428 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -55.91 -14.96 2.79 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.112 1.765 . . . . 0.0 114.719 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -132.94 14.11 4.31 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.11 2.164 . . . . 0.0 112.673 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.53 129.93 80.97 Favored Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 124.585 1.154 . . . . 0.0 114.085 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.32 -13.96 39.04 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 123.308 2.672 . . . . 0.0 113.279 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -108.05 20.71 18.36 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.307 1.043 . . . . 0.0 113.485 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -127.87 134.13 25.88 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.202 1.401 . . . . 0.0 110.901 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.21 153.13 34.76 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.791 2.327 . . . . 0.0 112.625 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -145.23 177.28 8.92 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.416 1.087 . . . . 0.0 112.599 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.501 ' H ' ' HA ' ' A' ' 46' ' ' PRO . . . -172.49 -58.06 0.05 OUTLIER Glycine 0 CA--C 1.542 1.754 0 CA-C-O 117.198 -1.89 . . . . 0.0 116.075 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.501 ' HA ' ' H ' ' A' ' 45' ' ' GLY . 60.0 Cg_endo -80.4 173.76 51.04 Favored 'Cis proline' 0 CA--C 1.543 0.952 0 CA-C-N 120.962 2.381 . . . . 0.0 113.526 26.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -139.12 153.34 47.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.076 1.75 . . . . 0.0 110.159 178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.65 -167.47 12.64 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.629 1.585 . . . . 0.0 113.235 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.75 170.6 17.37 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.774 2.983 . . . . 0.0 112.586 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 mtp85 -63.77 149.02 93.7 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.258 1.023 . . . . 0.0 111.917 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -67.65 155.51 69.78 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 122.441 2.094 . . . . 0.0 110.486 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.5 tp60 -143.38 148.94 36.99 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.695 0.798 . . . . 0.0 112.351 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.8 p -64.06 140.21 58.85 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.098 1.359 . . . . 0.0 111.666 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 t -159.8 -156.17 0.49 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.016 1.326 . . . . 0.0 110.641 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.4 mt . . . . . 0 N--CA 1.472 0.653 0 C-N-CA 126.194 1.798 . . . . 0.0 111.837 -179.337 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 99.597 -3.103 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 C4'-C3'-C2' 99.506 -3.194 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.007 0 O4'-C1'-N19 111.798 3.598 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 O4'-C1'-N19 111.833 3.633 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 O4'-C1'-N19 112.016 3.816 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.276 1 C3'-C2'-C1' 105.381 4.312 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 1 O4'-C1'-N19 113.112 4.912 . 0.627 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C5'-C4'-C3' 111.619 -2.588 . 0.02 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.405 " H3'" " H5'" ' B' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.023 1 C5'-C4'-O4' 115.078 4.198 . 0.026 5j . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . 0.405 " H5'" " H3'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 O4'-C1'-N19 111.085 2.885 . 0.395 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 1 O4'-C1'-N19 112.366 4.166 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 O4'-C1'-N19 111.786 3.586 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.316 1 O4'-C1'-N19 112.21 4.01 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C1'-O4'-C4' 106.706 -3.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C4'-C3'-O3' 118.172 2.912 OUTLIER-EPSILON 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.397 0 P-O3'-C3' 124.452 3.96 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C3'-C2'-C1' 103.564 2.293 . 0.118 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.412 0 C3'-C2'-C1' 104.55 3.389 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.386 0 N19-C1'-C2' 118.22 3.013 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.674 0 C5'-C4'-O4' 112.993 2.709 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 O4'-C1'-N19 111.855 3.655 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 C4'-C3'-C2' 99.586 -3.114 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.905 0 C4'-C3'-C2' 100.063 -2.637 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 2 O4'-C1'-N19 112.898 4.698 . 0.683 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.237 1 O4'-C1'-N19 112.373 4.173 . 0.367 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.764 0 O4'-C1'-N19 112.056 3.856 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 O4'-C1'-N19 111.645 3.445 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C4'-C3'-C2' 99.093 -3.607 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 C4'-C3'-C2' 100.061 -2.639 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.322 0 O4'-C1'-N19 111.427 3.227 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 O4'-C1'-N19 110.697 2.497 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 O4'-C1'-N19 111.548 3.348 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . 0.42 " H3'" H5'' ' B' ' 35' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C2'-C3'-O3' 117.887 2.46 . 0.523 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.42 H5'' " H3'" ' B' ' 34' ' ' ' A' . . . . . . . . 0 P--O5' 1.617 2.446 1 P-O3'-C3' 124.886 4.321 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.792 0 O5'-C5'-C4' 115.244 3.603 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.817 1 O5'-C5'-C4' 116.495 4.496 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.184 1 O4'-C1'-N19 112.542 4.342 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.004 2.804 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.027 0 O4'-C1'-N19 111.603 3.403 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.159 0 C4'-C3'-C2' 99.49 -3.21 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 0 C4'-C3'-C2' 99.539 -3.161 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C4'-C3'-C2' 99.254 -3.446 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 C4'-C3'-C2' 99.679 -3.021 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 O4'-C1'-N19 111.349 3.149 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.948 0 C3'-C2'-C1' 103.68 2.422 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 P-O3'-C3' 124.435 3.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.336 1 O4'-C1'-N19 112.278 4.078 . 0.464 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 C5'-C4'-O4' 113.777 3.269 . 0.084 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 0 O4'-C1'-N19 111.305 3.105 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C4'-C3'-C2' 99.423 -3.277 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 C4'-C3'-C2' 99.098 -3.602 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 C5'-C4'-O4' 113.746 3.247 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 O4'-C1'-N19 111.677 3.477 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 C4'-C3'-C2' 99.108 -3.592 . 0.583 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.571 0 O4'-C1'-N19 111.659 3.459 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 C4'-C3'-C2' 100.432 -2.268 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-O3' 119.269 3.334 OUTLIER-EPSILON 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 1 O4'-C1'-N19 112.335 4.135 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.314 0 O4'-C1'-N19 110.663 2.463 . 0.035 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.441 1 O5'-C5'-C4' 117.819 5.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.174 0 C4'-C3'-C2' 99.353 -3.347 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.981 0 C4'-C3'-C2' 98.919 -3.781 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.94 0 O4'-C1'-N19 111.306 3.106 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 C4'-C3'-C2' 99.442 -3.258 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.291 0 P-O3'-C3' 121.954 1.879 . 0.043 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 C4'-C3'-C2' 99.516 -3.184 . 0.727 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 1 C4'-C3'-C2' 98.076 -4.624 . 0.655 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.318 0 C4'-C3'-C2' 99.178 -3.522 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 99.434 -3.266 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 O4'-C1'-N19 111.769 3.569 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.196 0 O4'-C1'-N19 111.83 3.63 . 0.842 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.397 0.142 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.9 p -125.89 0.83 7.34 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.887 1.275 . . . . 0.0 114.256 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 t 63.72 14.98 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 125.571 1.548 . . . . 0.0 111.736 -174.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.1 t -135.87 -32.53 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.968 2.107 . . . . 0.0 111.034 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -62.45 162.59 9.96 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.124 1.37 . . . . 0.0 113.905 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.87 178.96 43.08 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.041 1.305 . . . . 0.0 113.067 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -131.39 9.54 4.74 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.793 1.237 . . . . 0.0 114.156 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -150.59 168.77 23.27 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.532 1.533 . . . . 0.0 112.657 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -149.93 167.47 26.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.821 1.648 . . . . 0.0 111.73 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -150.85 155.38 39.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.27 1.428 . . . . 0.0 111.368 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -145.11 145.5 31.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.66 1.584 . . . . 0.0 111.133 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -142.06 -29.92 0.58 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.527 1.131 . . . . 0.0 113.518 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.85 -175.68 45.16 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.55 1.071 . . . . 0.0 113.286 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.66 -172.56 37.81 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.845 1.212 . . . . 0.0 112.867 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -103.93 -12.23 16.98 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -62.06 -34.27 75.95 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.881 1.272 . . . . 0.0 112.994 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -53.29 151.51 5.27 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.939 1.696 . . . . 0.0 113.291 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -70.44 10.79 0.42 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 t -67.89 169.22 10.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.163 1.385 . . . . 0.0 112.083 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 50.22 39.53 20.03 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.828 1.651 . . . . 0.0 113.337 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.22 157.18 45.59 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.409 1.884 . . . . 0.0 110.851 -178.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -156.45 163.45 39.42 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.524 1.93 . . . . 0.0 108.793 177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -71.58 5.8 2.22 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -109.11 6.52 24.99 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 126.528 1.931 . . . . 0.0 111.342 173.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -126.72 165.33 19.45 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.651 1.58 . . . . 0.0 113.663 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.6 t -90.57 135.1 33.92 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.99 1.716 . . . . 0.0 113.218 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -18.23 61.32 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -90.28 -47.24 7.89 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -117.07 -6.42 11.38 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.279 13.5 mptt 67.53 4.68 3.94 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.39 2.276 . . . . 0.0 115.457 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.71 167.33 7.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.42 1.009 . . . . 0.0 110.562 171.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -111.16 163.49 13.84 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.55 -3.85 81.86 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.518 1.533 . . . . 0.0 114.88 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -154.63 172.12 18.39 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.644 1.578 . . . . 0.0 111.594 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -116.06 167.37 11.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.54 1.936 . . . . 0.0 109.973 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.48 -38.42 29.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.032 1.333 . . . . 0.0 113.162 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.9 -15.24 4.47 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.462 1.905 . . . . 0.0 114.251 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -133.9 14.54 3.95 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.469 2.308 . . . . 0.0 112.219 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.36 128.03 81.93 Favored Pre-proline 0 CA--C 1.552 1.027 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -69.96 -14.0 34.9 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.059 2.506 . . . . 0.0 112.84 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -76.68 -22.03 54.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.884 0.874 . . . . 0.0 111.732 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -81.16 143.96 53.52 Favored Pre-proline 0 N--CA 1.477 0.907 0 CA-C-N 118.746 0.703 . . . . 0.0 112.339 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -73.51 163.88 36.43 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.448 2.766 . . . . 0.0 112.329 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 45.47 39.29 4.49 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 126.605 1.962 . . . . 0.0 114.833 177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.02 80.83 0.11 Allowed Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.058 1.313 . . . . 0.0 113.265 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.85 172.6 19.34 Favored 'Cis proline' 0 CA--C 1.541 0.841 0 CA-C-N 118.655 1.228 . . . . 0.0 113.591 -26.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -82.28 39.13 0.57 Allowed 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.28 1.432 . . . . 0.0 112.568 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.03 60.97 0.04 OUTLIER Glycine 0 CA--C 1.538 1.508 0 C-N-CA 126.504 2.002 . . . . 0.0 112.249 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -72.63 150.57 51.09 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.48 2.787 . . . . 0.0 113.028 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.66 75.36 8.52 Favored Pre-proline 0 N--CA 1.478 0.975 0 C-N-CA 125.504 1.521 . . . . 0.0 109.905 178.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -73.04 159.36 47.96 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 123.44 2.76 . . . . 0.0 112.555 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -139.4 19.06 2.56 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.316 1.447 . . . . 0.0 112.531 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m 55.12 27.3 9.31 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.006 1.722 . . . . 0.0 113.624 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.2 t -145.45 20.98 1.53 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.713 1.605 . . . . 0.0 112.577 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.7 mt . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 125.02 1.328 . . . . 0.0 112.039 -179.713 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 C4'-C3'-C2' 99.383 -3.317 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.728 -2.972 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 C4'-C3'-C2' 99.106 -3.594 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 O4'-C1'-N19 111.848 3.648 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 O4'-C1'-N19 112.124 3.924 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.407 1 C3'-C2'-C1' 105.246 4.163 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 1 O4'-C1'-N19 114.096 5.896 . 0.604 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.599 0 C3'-C2'-C1' 105.028 3.92 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.872 3.672 . 0.497 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 1 C5'-C4'-C3' 108.897 -4.402 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 O4'-C1'-N19 111.162 2.962 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.144 2.944 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.965 0 C4'-C3'-C2' 99.474 -3.226 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.467 -3.233 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.275 0 O4'-C1'-N19 111.561 3.361 . 0.426 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 P-O3'-C3' 124.479 3.983 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 C5'-C4'-O4' 112.537 2.383 . 0.425 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 1 O4'-C1'-N19 112.533 4.333 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 N19-C1'-C2' 117.477 2.548 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.475 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 C4'-C3'-C2' 99.157 -3.543 . 0.132 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.021 0 O4'-C1'-N19 112.161 3.961 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 C4'-C3'-C2' 99.223 -3.477 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.01 0 O4'-C1'-N19 110.772 2.572 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 2 O4'-C1'-N19 113.06 4.86 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 1 O4'-C1'-N19 112.429 4.229 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 O4'-C1'-N19 111.607 3.407 . 0.907 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 111.757 3.557 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 C4'-C3'-C2' 99.35 -3.35 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 C4'-C3'-C2' 100.019 -2.681 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 0 O4'-C1'-N19 111.034 2.834 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 O4'-C1'-N19 110.82 2.62 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.599 -3.101 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O5'-C5'-C4' 113.778 2.556 . 0.692 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 100.675 -2.025 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.035 0 O4'-C1'-N19 110.953 2.753 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 0 O4'-C1'-N19 111.648 3.448 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.042 1 O4'-C1'-N19 112.302 4.102 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C5'-C4'-O4' 112.465 2.332 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 C4'-C3'-C2' 99.46 -3.24 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C4'-C3'-C2' 99.383 -3.317 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.077 0 C4'-C3'-C2' 99.658 -3.042 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C4'-C3'-C2' 99.64 -3.06 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C5'-C4'-O4' 112.657 2.469 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.204 0 C4'-C3'-C2' 99.873 -2.827 . 0.449 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . 0.475 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C5'-C4'-O4' 113.088 2.777 . 0.364 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 P-O3'-C3' 122.674 2.478 . 0.099 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.409 0 O4'-C1'-N19 112.082 3.882 . 0.068 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C4'-C3'-C2' 99.939 -2.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.202 0 O4'-C1'-N19 111.169 2.969 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.959 0 C4'-C3'-C2' 99.404 -3.296 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 C4'-C3'-C2' 99.695 -3.005 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 C5'-C4'-O4' 113.371 2.98 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 O4'-C1'-N19 111.935 3.735 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-N19 111.216 3.016 . 0.06 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 O4'-C1'-N19 111.543 3.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 100.277 -2.423 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 0 P-O3'-C3' 121.937 1.864 . 0.345 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 1 O4'-C1'-N19 113.243 5.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 0 N19-C1'-C2' 117.537 2.586 . 0.01 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.158 0 O4'-C1'-N19 111.755 3.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 O4'-C1'-N19 111.98 3.78 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 O4'-C1'-N19 112.0 3.8 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.134 0 C4'-C3'-C2' 99.873 -2.827 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.643 -3.057 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.208 0 O4'-C1'-N19 110.532 2.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 C5'-C4'-O4' 113.25 2.893 . 0.063 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.04 0 C4'-C3'-C2' 99.317 -3.383 . 0.119 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.072 0 C4'-C3'-C2' 99.604 -3.096 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C5'-C4'-O4' 112.924 2.66 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C4'-C3'-C2' 99.413 -3.287 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 O4'-C1'-N19 111.412 3.212 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.399 0.143 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 t -153.94 171.51 18.89 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.967 1.307 . . . . 0.0 111.657 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -139.78 138.62 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.307 1.843 . . . . 0.0 109.225 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.0 m -138.3 167.32 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.614 1.565 . . . . 0.0 111.803 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -149.23 170.56 18.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.041 1.336 . . . . 0.0 112.013 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.49 34.69 0.34 Allowed Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.966 1.746 . . . . 0.0 113.222 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 51.91 -131.4 2.09 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.972 1.709 . . . . 0.0 111.957 -176.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -140.62 174.89 10.08 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.739 2.015 . . . . 0.0 111.264 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -124.88 27.42 6.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.661 1.584 . . . . 0.0 112.62 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.84 175.75 3.45 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.875 1.67 . . . . 0.0 113.698 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.06 160.3 38.78 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.318 1.847 . . . . 0.0 110.57 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -54.62 134.52 46.89 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.378 1.071 . . . . 0.0 112.883 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.28 -176.56 40.2 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.615 1.103 . . . . 0.0 113.3 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.76 169.17 26.88 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.601 1.572 . . . . 0.0 112.056 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -152.97 150.1 28.88 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.964 -0.727 . . . . 0.0 111.745 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -60.13 -22.65 63.1 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.17 1.388 . . . . 0.0 114.234 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -132.04 142.27 49.5 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.23 1.812 . . . . 0.0 109.361 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mtt85 -132.21 -5.88 3.43 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -172.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 t 59.98 -177.03 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.133 1.773 . . . . 0.0 113.741 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.54 126.25 26.67 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.485 1.114 . . . . 0.0 110.954 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.3 mt -146.05 160.01 42.48 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.455 1.502 . . . . 0.0 112.277 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -157.1 152.87 26.94 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 128.105 2.562 . . . . 0.0 107.176 175.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 mmt-85 -67.0 -9.23 36.62 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.302 -1.499 . . . . 0.0 114.624 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -97.75 9.03 43.63 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.81 1.244 . . . . 0.0 112.04 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -120.49 159.19 25.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.975 1.31 . . . . 0.0 114.5 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.6 t -86.98 128.57 35.07 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.32 1.848 . . . . 0.0 112.557 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -18.98 63.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -93.49 -37.79 11.75 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -175.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.24 -6.07 9.4 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm 68.99 6.42 5.63 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.12 2.168 . . . . 0.0 115.376 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -68.79 174.6 4.21 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 119.201 0.91 . . . . 0.0 110.934 172.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -119.86 162.45 19.1 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.7 -2.18 69.65 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 125.844 1.688 . . . . 0.0 114.364 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -157.1 173.6 16.75 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.119 1.768 . . . . 0.0 111.476 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -112.37 165.3 12.32 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.218 1.807 . . . . 0.0 110.27 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.3 -38.41 52.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.203 1.001 . . . . 0.0 113.208 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.03 -13.99 14.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.468 1.907 . . . . 0.0 113.264 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -132.36 13.61 4.59 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.628 2.371 . . . . 0.0 112.945 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.5 t -55.2 122.34 42.34 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.988 1.315 . . . . 0.0 114.532 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.88 -36.36 98.88 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.548 2.165 . . . . 0.0 113.653 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -76.06 -22.43 55.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.156 1.382 . . . . 0.0 113.543 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -65.77 139.54 96.97 Favored Pre-proline 0 N--CA 1.474 0.73 0 C-N-CA 123.932 0.893 . . . . 0.0 112.284 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.14 -33.57 35.97 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 124.398 3.399 . . . . 0.0 116.107 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 41.58 53.98 3.76 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 126.984 2.113 . . . . 0.0 114.205 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.62 -41.9 0.04 OUTLIER Glycine 0 CA--C 1.54 1.64 0 CA-C-O 117.696 -1.614 . . . . 0.0 115.77 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -59.61 -12.02 1.89 Allowed 'Cis proline' 0 CA--C 1.543 0.94 0 CA-C-N 119.946 1.873 . . . . 0.0 115.633 -28.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -143.72 155.94 44.36 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.099 1.36 . . . . 0.0 111.107 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.35 -178.93 40.42 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.435 1.493 . . . . 0.0 112.676 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -69.03 155.68 67.6 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.464 2.776 . . . . 0.0 112.775 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -150.58 135.76 10.08 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.711 1.604 . . . . 0.0 110.349 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.78 161.87 44.26 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.924 2.416 . . . . 0.0 112.023 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -139.34 143.57 37.86 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.922 1.289 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.5 p -136.2 -4.02 2.16 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.217 1.407 . . . . 0.0 114.593 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.0 m 60.81 176.0 0.1 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.781 2.032 . . . . 0.0 114.911 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 125.338 1.455 . . . . 0.0 111.347 -179.146 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.189 0 C4'-C3'-C2' 99.529 -3.171 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C4'-C3'-C2' 99.542 -3.158 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 C4'-C3'-C2' 99.269 -3.431 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 99.042 -3.658 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 111.38 3.18 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.288 0 C3'-C2'-C1' 104.83 3.7 OUTLIER-DELTA 0.221 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.654 4.454 . 0.284 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 N19-C1'-C2' 118.513 3.196 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C3'-C2'-C1' 105.017 3.908 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.438 0 P-O3'-C3' 123.574 3.229 . 0.615 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 C4'-C3'-C2' 99.562 -3.138 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 O4'-C1'-N19 111.685 3.485 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.18 0 O4'-C1'-N19 111.919 3.719 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . 0.414 ' N6 ' ' C2 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.117 -2.583 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.342 0 O4'-C1'-N19 111.052 2.852 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.372 0 C4'-C3'-C2' 99.8 -2.9 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-O3' 119.766 3.526 OUTLIER-EPSILON 0.01 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.319 2 P-O3'-C3' 126.68 5.817 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 O4'-C1'-C2' 102.657 -2.673 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.414 ' C2 ' ' N6 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 P--O5' 1.623 3.016 0 C4'-C3'-C2' 99.954 -2.746 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.258 0 O4'-C1'-N19 111.933 3.733 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C4'-C3'-C2' 99.219 -3.481 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.963 0 O4'-C1'-N19 110.78 2.58 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 2 C4'-C3'-C2' 98.492 -4.208 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.28 1 O4'-C1'-N19 112.707 4.507 . 0.4 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 O4'-C1'-N19 111.705 3.505 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 O4'-C1'-N19 111.583 3.383 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C1'-N19 111.496 3.296 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.612 -3.088 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 C5'-C4'-O4' 112.719 2.514 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 110.805 2.605 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 111.977 3.777 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C5'-C4'-O4' 113.37 2.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.296 3.096 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 0 O4'-C1'-N19 110.636 2.436 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 C4'-C3'-C2' 100.048 -2.652 . 0.101 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 1 O4'-C1'-N19 112.328 4.128 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 0 C5'-C4'-O4' 112.844 2.603 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.304 -3.396 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 C4'-C3'-C2' 99.456 -3.244 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.829 -2.871 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.5 -3.2 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.044 0 C4'-C3'-C2' 99.508 -3.192 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.114 0 C4'-C3'-C2' 101.051 -1.649 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C3'-C2'-C1' 104.326 3.14 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 P-O3'-C3' 124.033 3.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.706 1 C5'-C4'-O4' 114.933 4.095 . 0.294 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 P-O3'-C3' 122.633 2.444 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 C4'-C3'-C2' 99.194 -3.506 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.163 -3.537 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 C4'-C3'-C2' 99.637 -3.063 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C5'-C4'-O4' 113.328 2.949 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 111.794 3.594 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C4'-C3' 108.793 2.352 . 0.164 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 O4'-C1'-N19 111.136 2.936 . 0.076 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 C4'-C3'-C2' 100.24 -2.46 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 O4'-C1'-N19 110.48 2.28 . 0.043 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.262 1 O4'-C1'-N19 112.83 4.63 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.583 0 C4'-C3'-O3' 119.46 3.408 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.349 0 O4'-C1'-N19 111.834 3.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 O4'-C1'-N19 111.831 3.631 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 1 O4'-C1'-N19 112.244 4.044 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 C4'-C3'-C2' 100.27 -2.43 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.252 0 C4'-C3'-C2' 100.269 -2.431 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.082 0 O4'-C1'-N19 110.298 2.098 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.176 0 N19-C1'-C2' 116.986 2.241 . 0.13 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 111.033 2.833 . 0.432 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C4'-C3'-C2' 99.008 -3.692 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 C4'-C3'-C2' 99.496 -3.204 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C4'-C3'-C2' 99.313 -3.387 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 O4'-C1'-N19 111.687 3.487 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 120.657 0.265 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.5 t -152.61 172.37 16.73 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.151 1.38 . . . . 0.0 111.539 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.9 p -150.44 149.5 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.774 1.63 . . . . 0.0 110.758 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.93 144.76 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.244 1.417 . . . . 0.0 111.102 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 m -135.38 5.53 3.23 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.085 1.354 . . . . 0.0 114.098 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.51 -178.6 48.69 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.989 1.28 . . . . 0.0 113.067 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -139.8 163.76 31.77 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.431 1.492 . . . . 0.0 111.473 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -146.51 145.18 30.07 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.575 1.55 . . . . 0.0 111.276 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -149.93 158.89 44.61 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.601 1.96 . . . . 0.0 109.834 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -138.54 160.2 40.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.609 1.164 . . . . 0.0 111.686 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -138.29 172.34 13.04 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.018 1.727 . . . . 0.0 111.624 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 58.64 17.53 5.14 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.52 1.928 . . . . 0.0 114.832 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.64 9.85 73.27 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.271 1.415 . . . . 0.0 114.302 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.64 179.31 42.74 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 126.883 2.182 . . . . 0.0 111.398 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 54.44 38.56 29.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.004 1.322 . . . . 0.0 113.114 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -133.95 163.64 29.09 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.899 2.08 . . . . 0.0 111.39 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -140.47 159.81 41.37 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 127.128 2.171 . . . . 0.0 111.006 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.19 152.62 40.29 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.485 1.114 . . . . 0.0 112.289 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.5 t -152.05 127.01 9.68 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.742 1.617 . . . . 0.0 109.17 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 49.77 54.38 11.14 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.73 1.212 . . . . 0.0 112.228 -177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.4 mt -132.6 153.64 50.82 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.436 1.494 . . . . 0.0 111.847 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -147.94 149.65 32.6 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.735 2.414 . . . . 0.0 106.505 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.469 HH22 " H1'" ' B' ' 46' ' ' ' G' . 2.4 mmt-85 -71.76 14.41 0.2 Allowed 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.476 -1.39 . . . . 0.0 114.221 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.17 6.66 6.47 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.096 2.158 . . . . 0.0 112.356 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -128.39 139.21 52.5 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.202 1.001 . . . . 0.0 113.571 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.4 t -63.17 132.0 50.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.269 1.828 . . . . 0.0 114.015 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.16 -14.62 61.86 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -99.13 -35.67 9.93 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.79 -3.86 5.87 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -178.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 69.15 -0.1 2.62 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.631 2.373 . . . . 0.0 115.33 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.74 146.78 44.68 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.833 1.197 . . . . 0.0 111.977 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -94.63 141.66 28.35 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.78 1.232 . . . . 0.0 111.862 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.66 -10.95 30.25 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.227 1.394 . . . . 0.0 115.085 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -149.91 169.57 20.84 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.226 1.41 . . . . 0.0 111.478 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -114.41 160.14 19.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.911 1.685 . . . . 0.0 109.733 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.38 -35.79 19.83 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.744 1.618 . . . . 0.0 113.692 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -53.87 -20.7 6.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.128 1.771 . . . . 0.0 113.877 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -132.39 17.37 4.44 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.749 2.02 . . . . 0.0 113.164 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.8 t -54.01 127.6 54.5 Favored Pre-proline 0 CA--C 1.557 1.226 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -70.15 -16.31 35.9 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 123.323 2.682 . . . . 0.0 113.459 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -73.67 -22.24 60.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.726 1.21 . . . . 0.0 111.856 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -74.79 153.64 87.1 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 123.747 0.819 . . . . 0.0 112.779 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -70.95 -8.27 23.25 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 123.821 3.014 . . . . 0.0 114.712 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttt85 51.39 39.45 24.34 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.607 1.963 . . . . 0.0 113.908 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.73 170.6 37.49 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.353 1.454 . . . . 0.0 113.354 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -86.54 -9.74 45.53 Favored 'Cis proline' 0 CA--C 1.541 0.868 0 CA-C-N 118.192 0.996 . . . . 0.0 114.227 28.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -139.83 148.32 41.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.332 1.853 . . . . 0.0 110.225 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.07 -178.85 36.86 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.686 1.136 . . . . 0.0 113.559 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.33 156.91 63.12 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.675 2.917 . . . . 0.0 112.24 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -131.75 151.2 78.17 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.545 1.538 . . . . 0.0 112.246 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.42 173.35 13.95 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.786 2.991 . . . . 0.0 113.17 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -145.51 169.54 18.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.969 1.707 . . . . 0.0 111.618 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 t -150.81 173.0 14.73 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.666 1.186 . . . . 0.0 112.382 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.1 p -134.26 6.75 3.6 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.943 2.097 . . . . 0.0 113.219 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 125.659 1.584 . . . . 0.0 110.899 -179.848 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.131 0 C4'-C3'-C2' 99.645 -3.055 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 C4'-C3'-C2' 99.52 -3.18 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 O4'-C1'-N19 111.875 3.675 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 O4'-C1'-N19 111.985 3.785 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 111.344 3.144 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 0 C5'-C4'-C3' 111.33 -2.78 OUTLIER-DELTA 0.124 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O4'-C1'-N19 110.974 2.774 . 0.208 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C5'-C4'-O4' 113.445 3.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.554 2.614 1 C3'-C2'-C1' 106.161 5.179 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 C5'-C4'-O4' 113.924 3.374 . 0.0 OUTLIER '7D dist 8d' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 112.019 3.819 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.24 1 O4'-C1'-N19 112.863 4.663 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.569 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.538 2.137 0 O4'-C1'-N19 111.282 3.082 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . 0.569 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 C4'-C3'-C2' 98.965 -3.735 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 C4'-C3'-C2' 99.84 -2.86 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.419 0 C5'-C4'-C3' 110.252 -3.499 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 O4'-C4'-C3' 108.657 2.255 . 0.01 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.192 1 O4'-C1'-N19 112.711 4.511 . 0.039 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.555 0 C4'-C3'-C2' 99.841 -2.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C4'-C3' 108.002 1.787 . 0.453 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 2 C4'-C3'-C2' 98.474 -4.226 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C4'-C3'-C2' 99.08 -3.62 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.912 0 O4'-C1'-N19 111.457 3.257 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 1 O4'-C1'-N19 112.749 4.549 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 O4'-C1'-N19 112.028 3.828 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 O4'-C1'-N19 110.974 2.774 . 0.905 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 O4'-C1'-N19 111.443 3.243 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.044 0 O4'-C1'-N19 111.618 3.418 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 C4'-C3'-C2' 99.696 -3.004 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 111.07 2.87 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 O4'-C1'-N19 111.089 2.889 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.73 1 O4'-C1'-N19 112.359 4.159 . 0.579 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 O4'-C1'-N19 110.556 2.356 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 C4'-C3'-C2' 99.798 -2.902 . 0.238 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.506 0 O4'-C1'-N19 111.462 3.262 OUTLIER-DELTA 0.016 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 O4'-C1'-N19 111.991 3.791 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 1 O4'-C1'-N19 113.253 5.053 . 0.304 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 C5'-C4'-O4' 113.18 2.843 . 0.636 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.537 -3.163 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 99.059 -3.641 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 0 C4'-C3'-C2' 99.755 -2.945 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C4'-C3'-C2' 99.71 -2.99 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 O4'-C1'-N19 110.745 2.545 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 C5'-C4'-O4' 112.671 2.479 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . 0.469 " H1'" HH22 ' A' ' 23' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 O4'-C1'-N19 114.337 6.137 . 0.044 7a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.026 0 C5'-C4'-C3' 109.936 -3.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.279 0 O4'-C1'-N19 112.138 3.938 . 0.587 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.249 3.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.097 0 C4'-C3'-C2' 99.515 -3.185 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 99.403 -3.297 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.994 0 C4'-C3'-C2' 99.379 -3.321 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 C5'-C4'-O4' 113.805 3.289 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.508 3.308 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 O4'-C4'-C3' 108.919 2.442 . 0.092 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 111.466 3.266 . 0.054 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 C4'-C3'-C2' 100.622 -2.078 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-O3' 115.971 2.066 . 0.222 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.362 1 O4'-C1'-N19 114.598 6.398 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 N19-C1'-C2' 117.833 2.77 . 0.011 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.852 2 O5'-C5'-C4' 116.9 4.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.755 3.555 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 O4'-C1'-N19 111.968 3.768 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.089 0 O4'-C1'-N19 110.802 2.602 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.893 -2.807 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.205 0 P-O3'-C3' 121.937 1.865 . 0.01 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 O4'-C4'-C3' 108.691 2.28 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.591 -3.109 . 0.649 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 C4'-C3'-C2' 99.429 -3.271 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.26 0 C4'-C3'-C2' 99.578 -3.122 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.687 3.487 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 O4'-C1'-N19 111.677 3.477 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_