data_1a4t_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 1a4t _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.463 0.221 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.45 -49.74 73.73 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.777 1.631 . . . . 0.0 111.338 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -65.69 -54.41 27.82 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.076 2.15 . . . . 0.0 108.602 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -42.91 -58.56 2.34 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 128.686 2.794 . . . . 0.0 112.682 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -32.69 -60.68 0.3 Allowed 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.899 2.879 . . . . 0.0 114.573 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -72.63 -48.32 40.47 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 126.584 1.954 . . . . 0.0 113.129 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -54.83 -44.63 74.07 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.322 2.249 . . . . 0.0 110.839 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -49.62 -60.87 2.48 Favored 'General case' 0 C--N 1.373 1.589 1 C-N-CA 132.219 4.208 . . . . 0.0 109.737 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -41.9 -54.03 3.58 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.129 2.172 . . . . 0.0 111.404 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.24 -52.28 55.52 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.588 2.355 . . . . 0.0 113.295 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.14 -48.31 44.89 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 128.026 2.531 . . . . 0.0 110.851 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.0 OUTLIER -60.99 -60.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.379 1.861 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 176.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.37 1.46 0 C-N-CA 127.339 2.256 . . . . 0.0 116.035 -178.365 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -56.62 -49.22 75.6 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.762 2.025 . . . . 0.0 110.88 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -66.28 -55.02 18.09 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.621 1.969 . . . . 0.0 108.892 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -43.58 -56.78 3.49 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 128.953 2.901 . . . . 0.0 112.272 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -38.68 -56.83 1.27 Allowed 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.177 2.591 . . . . 0.0 113.465 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -68.74 -53.38 22.28 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.221 2.209 . . . . 0.0 111.652 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -56.22 -45.47 79.92 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.888 2.075 . . . . 0.0 112.047 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -47.58 -58.43 4.26 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 131.463 3.905 . . . . 0.0 108.824 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -42.45 -56.14 3.15 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 127.381 2.272 . . . . 0.0 111.845 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.18 -49.96 65.54 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.493 1.917 . . . . 0.0 113.441 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.53 -48.52 57.12 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 127.89 2.476 . . . . 0.0 111.153 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.4 mt -57.79 -62.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 . . . . . 0 C--N 1.372 1.551 0 C-N-CA 127.178 2.191 . . . . 0.0 114.394 -178.452 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -57.15 -52.05 66.87 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 125.695 1.598 . . . . 0.0 111.726 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 ptm85 -64.7 -45.71 85.43 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.495 1.118 . . . . 0.0 110.22 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -48.3 -58.59 4.37 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 128.37 2.668 . . . . 0.0 111.067 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -36.09 -61.11 0.51 Allowed 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.419 2.687 . . . . 0.0 113.087 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -64.68 -51.83 60.47 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.804 1.642 . . . . 0.0 113.301 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.25 95.06 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.267 1.827 . . . . 0.0 112.126 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -51.59 -57.48 9.0 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 131.218 3.807 . . . . 0.0 107.967 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -41.0 -56.4 2.28 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 127.352 2.261 . . . . 0.0 111.122 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.44 -51.53 65.32 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 127.401 2.28 . . . . 0.0 113.528 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.79 -46.94 59.84 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 127.423 2.289 . . . . 0.0 111.061 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.274 1.0 OUTLIER -60.42 -59.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.381 1.936 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.721 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--N 1.372 1.547 0 C-N-CA 126.289 1.836 . . . . 0.0 115.859 -178.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -54.79 -52.75 61.68 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.925 2.09 . . . . 0.0 110.609 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -63.35 -53.53 51.07 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 125.877 1.671 . . . . 0.0 109.1 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -43.46 -57.55 3.03 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.258 2.623 . . . . 0.0 112.54 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -36.79 -61.23 0.56 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.939 2.896 . . . . 0.0 114.025 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -53.71 44.02 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 125.327 1.451 . . . . 0.0 111.683 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -52.4 -46.94 66.51 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 128.071 2.548 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -49.32 -60.23 3.01 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 131.395 3.878 . . . . 0.0 109.278 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -42.12 -55.56 3.19 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 127.083 2.153 . . . . 0.0 111.448 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.42 -53.91 44.89 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.218 1.807 . . . . 0.0 113.468 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.22 -47.97 35.34 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.315 2.646 . . . . 0.0 111.812 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.292 1.0 OUTLIER -61.49 -58.82 5.84 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 . . . . . 0 C--N 1.37 1.485 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -178.631 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -57.12 -44.95 83.79 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 125.584 1.553 . . . . 0.0 110.996 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -66.89 -57.39 7.06 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 126.736 2.014 . . . . 0.0 108.096 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -39.74 -56.23 1.77 Allowed 'General case' 0 C--N 1.379 1.851 0 C-N-CA 129.275 3.03 . . . . 0.0 113.202 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -34.66 -55.69 0.55 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.684 2.794 . . . . 0.0 114.838 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -73.38 -50.48 21.68 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 126.956 2.103 . . . . 0.0 111.539 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -55.84 -45.57 78.38 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 126.788 2.035 . . . . 0.0 111.401 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -46.77 -56.28 6.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 131.171 3.788 . . . . 0.0 108.968 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -43.22 -55.24 4.07 Favored 'General case' 0 C--N 1.374 1.653 0 C-N-CA 127.79 2.436 . . . . 0.0 111.549 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.83 -48.92 67.41 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.584 1.954 . . . . 0.0 112.958 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.94 45.66 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.053 2.541 . . . . 0.0 111.644 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.273 1.3 mt -57.19 -59.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--N 1.373 1.616 0 C-N-CA 126.904 2.082 . . . . 0.0 114.086 -179.395 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -58.38 -46.28 86.67 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.223 2.209 . . . . 0.0 110.548 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -67.52 -55.93 11.55 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.862 2.065 . . . . 0.0 108.166 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -42.62 -57.15 2.82 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 129.632 3.173 . . . . 0.0 112.12 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -39.59 -57.09 1.54 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 127.337 2.255 . . . . 0.0 113.585 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -64.87 -56.48 13.15 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 126.069 1.747 . . . . 0.0 111.629 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -53.81 -44.48 70.22 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.924 2.49 . . . . 0.0 111.924 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -54.1 -63.51 1.13 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 131.489 3.916 . . . . 0.0 109.515 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -43.51 -52.82 5.93 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.297 2.239 . . . . 0.0 111.335 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.78 -56.79 17.02 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.088 2.955 . . . . 0.0 112.171 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.6 -47.63 58.07 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 129.467 3.107 . . . . 0.0 112.046 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.27 2.0 mt -55.27 -57.84 6.17 Favored 'Isoleucine or valine' 0 C--N 1.378 1.826 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--N 1.372 1.556 0 C-N-CA 127.081 2.152 . . . . 0.0 113.724 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 117.974 -1.012 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -44.56 82.13 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.598 1.559 . . . . 0.0 109.881 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -65.6 -57.56 7.85 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 126.879 2.071 . . . . 0.0 108.215 174.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -43.28 -54.19 4.74 Favored 'General case' 0 C--N 1.381 1.959 0 C-N-CA 128.254 2.621 . . . . 0.0 112.068 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -43.55 -57.31 3.19 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.544 2.338 . . . . 0.0 112.113 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -61.4 -53.49 55.94 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.858 2.063 . . . . 0.0 112.077 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -58.78 -45.59 89.45 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 127.557 2.343 . . . . 0.0 111.751 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -50.03 -57.85 6.73 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 131.263 3.825 . . . . 0.0 108.945 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -42.56 -53.02 4.56 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.375 2.27 . . . . 0.0 111.141 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.72 -51.63 53.78 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.02 2.128 . . . . 0.0 112.607 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.13 25.69 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.63 2.772 . . . . 0.0 110.998 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.266 1.0 OUTLIER -60.42 -60.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.748 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.37 1.483 0 C-N-CA 126.575 1.95 . . . . 0.0 114.645 -178.245 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -56.89 -49.66 74.88 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 125.869 1.668 . . . . 0.0 111.571 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 ptm85 -68.65 -46.3 69.5 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 124.883 1.273 . . . . 0.0 110.312 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -47.93 -57.36 5.81 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 128.249 2.62 . . . . 0.0 111.515 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -38.66 -55.45 1.45 Allowed 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.294 2.638 . . . . 0.0 113.275 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 mtm-85 -67.63 -55.62 12.59 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 126.469 1.908 . . . . 0.0 111.322 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -52.29 -45.68 65.62 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.041 2.537 . . . . 0.0 112.091 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -49.71 -60.37 2.95 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 131.484 3.913 . . . . 0.0 109.374 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -42.4 -53.86 4.06 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.119 2.168 . . . . 0.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.65 -52.99 47.4 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.132 1.773 . . . . 0.0 113.131 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.39 42.29 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.791 2.437 . . . . 0.0 111.463 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.281 1.2 mt -58.65 -62.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.382 1.99 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--N 1.371 1.523 0 C-N-CA 127.241 2.217 . . . . 0.0 114.712 -177.856 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -56.58 -50.14 72.83 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 127.634 2.374 . . . . 0.0 111.793 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -70.25 -47.3 61.94 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.341 1.456 . . . . 0.0 110.357 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -45.98 -53.45 10.03 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 129.065 2.946 . . . . 0.0 111.735 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -31.35 -58.9 0.24 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 128.726 2.811 . . . . 0.0 114.519 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -70.44 -52.62 20.89 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.712 2.005 . . . . 0.0 111.713 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -52.24 -41.77 63.06 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.719 2.808 . . . . 0.0 111.936 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -52.33 -58.46 6.59 Favored 'General case' 0 C--N 1.371 1.505 1 C-N-CA 132.138 4.175 . . . . 0.0 108.895 175.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -41.35 -54.08 3.12 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 126.495 1.918 . . . . 0.0 111.437 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.57 -55.76 24.24 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 126.692 1.997 . . . . 0.0 113.348 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.48 56.95 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.98 2.112 . . . . 0.0 112.27 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.3 mt -59.49 -58.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 C--N 1.374 1.673 0 C-N-CA 127.354 2.262 . . . . 0.0 113.605 -178.342 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -55.36 -50.16 70.4 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.335 1.454 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 46.4 ttt85 -62.2 -56.35 19.58 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 126.861 2.064 . . . . 0.0 108.874 175.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -43.21 -58.45 2.5 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 129.132 2.973 . . . . 0.0 111.952 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -37.95 -57.22 1.06 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 127.9 2.48 . . . . 0.0 113.394 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.28 -55.72 12.75 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.82 2.048 . . . . 0.0 111.905 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 127.572 2.349 . . . . 0.0 111.533 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -55.44 -62.07 1.92 Allowed 'General case' 0 C--N 1.369 1.437 0 C-N-CA 131.506 3.923 . . . . 0.0 109.319 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -43.33 -52.8 5.63 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 126.831 2.052 . . . . 0.0 111.425 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.24 -56.19 23.4 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 129.129 2.972 . . . . 0.0 111.882 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.28 -47.77 55.24 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 129.661 3.185 . . . . 0.0 112.369 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.7 mt -54.86 -57.98 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.828 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 178.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--N 1.371 1.502 0 C-N-CA 126.803 2.041 . . . . 0.0 113.282 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -55.29 -44.35 75.64 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.228 1.811 . . . . 0.0 110.491 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -67.61 -60.22 2.72 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.593 2.357 . . . . 0.0 107.921 175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -39.88 -54.43 2.16 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 130.018 3.327 . . . . 0.0 112.903 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.57 -51.56 1.18 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.035 2.534 . . . . 0.0 114.22 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.18 -51.17 10.62 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.465 2.306 . . . . 0.0 111.134 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -44.45 66.06 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 128.451 2.701 . . . . 0.0 111.889 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -51.11 -57.92 7.44 Favored 'General case' 0 C--N 1.37 1.491 1 C-N-CA 132.261 4.225 . . . . 0.0 108.215 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -42.33 -56.92 2.78 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 127.433 2.293 . . . . 0.0 111.37 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.31 -51.77 66.35 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.771 2.028 . . . . 0.0 113.274 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.92 -48.99 51.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.086 2.154 . . . . 0.0 111.297 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.277 1.1 mt -58.5 -60.38 2.38 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 C-N-CA 124.332 1.053 . . . . 0.0 108.345 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--N 1.373 1.617 0 C-N-CA 127.068 2.147 . . . . 0.0 114.649 -177.901 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 118.378 -0.82 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -56.39 -48.65 76.46 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.267 1.827 . . . . 0.0 111.548 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -70.41 -45.04 66.7 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 125.109 1.363 . . . . 0.0 110.415 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -48.58 -56.29 8.82 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 128.353 2.661 . . . . 0.0 110.938 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -38.24 -55.44 1.32 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.583 2.753 . . . . 0.0 112.869 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -65.04 -57.69 8.02 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.227 2.211 . . . . 0.0 111.645 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -54.98 -43.38 73.49 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 128.445 2.698 . . . . 0.0 112.462 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -51.99 -59.01 4.84 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 131.274 3.829 . . . . 0.0 108.855 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -41.91 -55.17 3.2 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 127.098 2.159 . . . . 0.0 111.478 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.91 -52.42 59.95 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.196 1.799 . . . . 0.0 113.806 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.91 -46.68 60.84 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 127.534 2.334 . . . . 0.0 111.888 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.282 1.0 OUTLIER -60.29 -58.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.369 1.453 0 C-N-CA 125.958 1.703 . . . . 0.0 115.46 -179.138 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -53.05 -50.84 63.49 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.363 1.865 . . . . 0.0 112.027 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -69.37 -45.32 69.63 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 125.275 1.43 . . . . 0.0 110.647 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -48.65 -54.03 16.31 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 128.239 2.616 . . . . 0.0 110.751 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -39.03 -53.14 1.81 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 128.443 2.697 . . . . 0.0 112.875 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -69.36 -54.61 13.64 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 127.31 2.244 . . . . 0.0 111.534 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -53.74 -44.42 69.93 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 128.801 2.84 . . . . 0.0 112.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -51.88 -56.93 11.1 Favored 'General case' 0 C--N 1.37 1.475 1 C-N-CA 131.729 4.011 . . . . 0.0 108.528 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -42.04 -54.07 3.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 127.14 2.176 . . . . 0.0 111.384 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.05 -53.54 48.31 Favored 'General case' 0 C--N 1.368 1.402 0 C-N-CA 126.456 1.902 . . . . 0.0 113.321 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.41 -46.4 56.24 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.443 2.297 . . . . 0.0 112.008 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -61.08 -58.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 176.736 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--N 1.37 1.468 0 C-N-CA 126.041 1.737 . . . . 0.0 114.372 -178.461 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.68 -42.93 71.99 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.196 1.798 . . . . 0.0 111.912 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -70.21 -57.87 4.43 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.733 2.413 . . . . 0.0 108.196 174.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -41.99 -55.38 3.17 Favored 'General case' 0 C--N 1.378 1.809 0 C-N-CA 129.867 3.267 . . . . 0.0 112.791 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -37.41 -51.28 1.11 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 128.547 2.739 . . . . 0.0 113.744 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 68.2 mtm-85 -75.39 -54.02 7.75 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.526 1.93 . . . . 0.0 111.348 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -51.57 -44.9 62.92 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 128.131 2.573 . . . . 0.0 112.306 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -50.81 -58.85 4.93 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 131.582 3.953 . . . . 0.0 109.003 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -42.63 -53.84 4.26 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 127.31 2.244 . . . . 0.0 111.577 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.37 -53.62 45.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.377 1.871 . . . . 0.0 113.287 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.0 53.89 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 127.51 2.324 . . . . 0.0 111.77 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.283 1.0 OUTLIER -60.45 -58.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.378 1.827 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 176.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--N 1.369 1.45 0 C-N-CA 126.141 1.776 . . . . 0.0 114.618 -178.266 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 117.86 -1.066 . . . . 0.0 113.537 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -57.07 -52.23 66.11 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 125.112 1.365 . . . . 0.0 110.741 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -63.28 -47.09 83.78 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.308 1.443 . . . . 0.0 110.909 175.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -50.13 -55.75 13.74 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 128.007 2.523 . . . . 0.0 111.519 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -41.49 -56.74 2.44 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.784 2.434 . . . . 0.0 113.178 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -61.68 -55.55 29.22 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.858 2.063 . . . . 0.0 111.225 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -54.34 -47.22 72.79 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.183 2.593 . . . . 0.0 111.912 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -49.52 -59.03 4.12 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.262 3.825 . . . . 0.0 108.344 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -40.82 -56.01 2.31 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 127.254 2.222 . . . . 0.0 111.881 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.81 -53.76 45.79 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.292 1.837 . . . . 0.0 113.084 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.68 -47.96 40.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.351 2.26 . . . . 0.0 111.682 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.278 0.9 OUTLIER -60.83 -59.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.54 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.373 1.592 0 C-N-CA 127.404 2.282 . . . . 0.0 114.117 -177.134 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.66 -47.77 79.08 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.117 1.767 . . . . 0.0 111.741 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 47.9 ttt85 -66.29 -55.26 16.9 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 126.265 1.826 . . . . 0.0 108.623 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -44.77 -58.55 3.02 Favored 'General case' 0 C--N 1.376 1.733 0 C-N-CA 129.303 3.041 . . . . 0.0 112.583 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -38.31 -57.87 1.06 Allowed 'General case' 0 C--N 1.368 1.402 0 C-N-CA 128.186 2.594 . . . . 0.0 113.235 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -69.33 -52.36 28.06 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 125.622 1.569 . . . . 0.0 112.16 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -55.29 -44.35 75.63 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 126.526 1.93 . . . . 0.0 112.261 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -49.66 -57.91 6.3 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 131.665 3.986 . . . . 0.0 108.975 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -42.76 -55.19 3.74 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.159 2.184 . . . . 0.0 111.542 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.474 1.91 . . . . 0.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.91 -47.46 64.63 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.019 2.528 . . . . 0.0 112.058 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.1 mt -60.08 -60.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.369 1.449 0 C-N-CA 126.343 1.857 . . . . 0.0 114.533 -178.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -55.26 -48.75 73.55 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 126.894 2.078 . . . . 0.0 112.341 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -70.61 -49.88 43.02 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.562 1.545 . . . . 0.0 110.405 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -42.87 -52.83 4.94 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 129.954 3.302 . . . . 0.0 112.446 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -31.52 -55.06 0.26 Allowed 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.289 3.035 . . . . 0.0 115.043 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -51.81 12.3 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 126.911 2.084 . . . . 0.0 111.83 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -52.95 -43.61 66.46 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.878 2.471 . . . . 0.0 111.542 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -51.26 -57.57 8.49 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 131.388 3.875 . . . . 0.0 108.738 175.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -41.08 -56.04 2.42 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 127.152 2.181 . . . . 0.0 111.808 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.94 -52.25 63.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 127.319 2.248 . . . . 0.0 113.75 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.87 -48.61 66.99 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.595 1.958 . . . . 0.0 111.134 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.278 1.4 mt -58.02 -61.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.952 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 . . . . . 0 C--N 1.373 1.599 0 C-N-CA 127.745 2.418 . . . . 0.0 113.847 -177.753 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . 0.275 33.0 p . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 117.332 -1.318 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -62.66 -55.1 30.02 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-N 121.03 1.741 . . . . 0.0 111.088 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -60.7 -46.17 91.39 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.701 1.6 . . . . 0.0 110.516 176.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -49.06 -57.65 6.23 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 128.658 2.783 . . . . 0.0 110.984 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -32.17 -55.13 0.32 Allowed 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.89 2.476 . . . . 0.0 114.905 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -76.36 -53.12 8.62 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 126.077 1.751 . . . . 0.0 111.139 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -50.33 -42.21 52.5 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.172 2.589 . . . . 0.0 112.099 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -52.31 -59.08 4.84 Favored 'General case' 0 C--N 1.371 1.5 1 C-N-CA 132.276 4.23 . . . . 0.0 109.284 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -42.44 -53.8 4.12 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 127.186 2.194 . . . . 0.0 111.492 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.93 -52.34 56.94 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 126.714 2.005 . . . . 0.0 113.46 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.88 -46.35 64.46 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.632 2.373 . . . . 0.0 112.392 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.28 1.1 mt -60.79 -57.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.377 1.77 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--N 1.37 1.482 0 C-N-CA 126.532 1.933 . . . . 0.0 114.869 -179.281 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 117.468 -1.253 . . . . 0.0 113.86 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -51.22 -51.07 57.41 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.921 1.688 . . . . 0.0 111.092 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -62.55 -58.34 7.91 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 128.013 2.525 . . . . 0.0 109.054 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -45.56 -55.27 6.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 128.899 2.879 . . . . 0.0 113.24 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -38.02 -60.77 0.72 Allowed 'General case' 0 C--N 1.369 1.423 0 C-N-CA 128.902 2.881 . . . . 0.0 113.048 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.271 29.1 ptt-85 -66.59 -52.58 43.77 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 125.132 1.373 . . . . 0.0 112.687 177.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -51.64 -47.16 63.83 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 128.078 2.551 . . . . 0.0 111.736 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -50.19 -60.56 2.85 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 131.504 3.922 . . . . 0.0 108.933 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -42.88 -55.72 3.58 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 126.394 1.878 . . . . 0.0 111.803 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.38 -53.21 58.29 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.063 1.745 . . . . 0.0 113.601 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.33 -48.36 46.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 127.831 2.452 . . . . 0.0 111.009 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.272 1.6 mt -58.2 -60.64 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.379 1.891 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.37 1.49 0 C-N-CA 126.806 2.043 . . . . 0.0 115.89 -178.795 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.33 -46.9 82.79 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 125.47 1.508 . . . . 0.0 111.731 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -67.03 -51.87 49.41 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 125.99 1.716 . . . . 0.0 108.731 174.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -43.35 -58.09 2.72 Favored 'General case' 0 C--N 1.38 1.911 0 C-N-CA 128.701 2.8 . . . . 0.0 110.904 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -35.55 -56.99 0.64 Allowed 'General case' 0 C--N 1.371 1.521 0 C-N-CA 128.218 2.607 . . . . 0.0 113.567 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -63.89 -57.25 10.37 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.69 2.396 . . . . 0.0 112.088 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -59.24 -44.04 92.37 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 128.938 2.895 . . . . 0.0 112.907 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.13 -57.27 8.07 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 131.29 3.836 . . . . 0.0 108.675 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -40.77 -56.88 2.07 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 128.094 2.558 . . . . 0.0 111.527 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.15 -52.34 59.53 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.852 2.061 . . . . 0.0 113.421 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.23 63.97 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 127.053 2.141 . . . . 0.0 112.139 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.3 0.8 OUTLIER -62.55 -57.69 10.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 177.056 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.37 1.459 0 C-N-CA 125.95 1.7 . . . . 0.0 114.637 -177.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.561 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.981 1 C3'-C2'-C1' 105.382 4.313 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.561 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.81 0 O5'-C5'-C4' 114.827 3.305 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.445 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.404 0 N19-C1'-C2' 119.202 3.626 . 0.079 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.445 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.301 3 O4'-C1'-N19 115.433 7.233 OUTLIER-EPSILON 0.093 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.958 2 P-O3'-C3' 133.964 11.886 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.248 1 P-O3'-C3' 124.971 4.393 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.412 1 P-O3'-C3' 126.108 5.34 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.431 " H1'" ' CE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.544 2.642 0 C4'-C3'-C2' 106.687 3.987 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 P-O3'-C3' 127.731 6.693 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 0 O4'-C1'-N19 111.665 3.465 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.231 0 O4'-C1'-N19 111.3 3.1 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.79 0 C5'-C4'-O4' 113.777 3.269 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.933 1 O4'-C1'-N19 112.284 4.084 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.484 0 N19-C1'-C2' 119.306 3.691 . 0.664 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.005 1 O4'-C1'-N19 113.598 5.398 . 0.501 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.06 88.6 7.63 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 125.697 1.599 . . . . 0.0 112.534 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -99.14 -64.3 1.05 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.285 2.234 . . . . 0.0 106.07 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.0 p -64.56 -41.98 95.97 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 127.835 2.454 . . . . 0.0 114.866 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.45 -49.74 73.73 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.777 1.631 . . . . 0.0 111.338 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -65.69 -54.41 27.82 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.076 2.15 . . . . 0.0 108.602 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.431 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 8.7 t60 -42.91 -58.56 2.34 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 128.686 2.794 . . . . 0.0 112.682 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -32.69 -60.68 0.3 Allowed 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.899 2.879 . . . . 0.0 114.573 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -72.63 -48.32 40.47 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 126.584 1.954 . . . . 0.0 113.129 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -54.83 -44.63 74.07 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.322 2.249 . . . . 0.0 110.839 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -49.62 -60.87 2.48 Favored 'General case' 0 C--N 1.373 1.589 1 C-N-CA 132.219 4.208 . . . . 0.0 109.737 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -41.9 -54.03 3.58 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.129 2.172 . . . . 0.0 111.404 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.24 -52.28 55.52 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.588 2.355 . . . . 0.0 113.295 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.14 -48.31 44.89 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 128.026 2.531 . . . . 0.0 110.851 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.0 OUTLIER -60.99 -60.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.379 1.861 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 176.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -53.66 -13.26 0.63 Allowed 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.339 2.256 . . . . 0.0 116.035 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -77.93 -54.89 5.79 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 126.698 1.999 . . . . 0.0 107.031 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -58.88 -49.11 79.0 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 129.244 3.017 . . . . 0.0 112.266 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.262 1.727 0 C-N-CA 130.27 3.428 . . . . 0.0 112.582 179.64 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.53 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.11 2 C3'-C2'-C1' 106.105 5.116 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.53 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.563 4.049 0 P-O3'-C3' 123.852 3.46 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.465 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.702 0 O4'-C1'-N19 111.897 3.697 . 0.365 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.465 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.414 1 O4'-C1'-N19 112.504 4.304 . 0.343 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.475 H5'' HH22 ' B' ' 6' ' ' ARG . . . . . . . . 0 P--O3' 1.575 -2.686 2 P-O3'-C3' 127.275 6.313 . 0.232 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.204 1 P-O3'-C3' 126.68 5.816 . 0.363 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.682 1 P-O3'-C3' 126.904 6.003 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.535 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.54 2.331 0 C3'-C2'-C1' 104.428 3.253 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.535 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.542 2.46 1 P-O3'-C3' 126.049 5.291 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.139 0 O4'-C1'-N19 112.06 3.86 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.271 0 O4'-C1'-N19 111.615 3.415 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.941 0 C5'-C4'-O4' 113.902 3.359 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.852 1 O4'-C1'-N19 112.366 4.166 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.677 1 O4'-C1'-N19 112.207 4.007 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.043 1 O4'-C1'-N19 113.603 5.403 . 0.914 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.495 1.809 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.28 88.54 7.24 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.619 1.567 . . . . 0.0 109.33 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -95.01 -64.93 1.01 Allowed 'General case' 0 C--N 1.361 1.068 0 C-N-CA 127.008 2.123 . . . . 0.0 107.51 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.0 p -62.99 -44.26 96.53 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.725 2.01 . . . . 0.0 114.598 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -56.62 -49.22 75.6 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.762 2.025 . . . . 0.0 110.88 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.475 HH22 H5'' ' A' ' 8' ' ' ' U' . 39.1 ttt85 -66.28 -55.02 18.09 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.621 1.969 . . . . 0.0 108.892 175.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.406 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 13.9 t60 -43.58 -56.78 3.49 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 128.953 2.901 . . . . 0.0 112.272 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -38.68 -56.83 1.27 Allowed 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.177 2.591 . . . . 0.0 113.465 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -68.74 -53.38 22.28 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.221 2.209 . . . . 0.0 111.652 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -56.22 -45.47 79.92 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.888 2.075 . . . . 0.0 112.047 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -47.58 -58.43 4.26 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 131.463 3.905 . . . . 0.0 108.824 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -42.45 -56.14 3.15 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 127.381 2.272 . . . . 0.0 111.845 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.18 -49.96 65.54 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.493 1.917 . . . . 0.0 113.441 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.438 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -50.53 -48.52 57.12 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 127.89 2.476 . . . . 0.0 111.153 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.4 mt -57.79 -62.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -44.03 -45.56 7.99 Favored 'General case' 0 C--N 1.372 1.551 0 C-N-CA 127.178 2.191 . . . . 0.0 114.394 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 84.2 mtm180 -55.52 -59.94 4.13 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 127.928 2.491 . . . . 0.0 111.284 177.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -64.99 -54.08 36.04 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 128.821 2.848 . . . . 0.0 113.917 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.261 1.688 0 C-N-CA 130.989 3.716 . . . . 0.0 109.562 -179.16 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.563 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.058 1 O4'-C1'-N19 112.349 4.149 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.563 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.563 4.081 0 C5'-C4'-O4' 114.055 3.468 . 0.727 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.464 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.367 1 N19-C1'-C2' 120.036 4.148 . 0.346 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.475 ' C5 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.302 1 O4'-C1'-N19 113.006 4.806 . 0.364 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.754 2 P-O3'-C3' 126.418 5.598 . 0.139 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.803 1 P-O5'-C5' 129.68 5.488 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.944 1 P-O3'-C3' 127.379 6.399 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.601 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 P--O5' 1.572 -2.077 0 O4'-C1'-N19 111.953 3.753 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.601 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.005 2 P-O3'-C3' 129.152 7.877 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.343 1 O4'-C1'-N19 112.555 4.355 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.378 0 O5'-C5'-C4' 114.097 2.783 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.554 0 P-O3'-C3' 122.885 2.654 . 0.499 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.907 1 O4'-C1'-N19 112.639 4.439 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.753 1 O4'-C1'-N19 112.353 4.153 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 1 O4'-C1'-N19 113.714 5.514 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.38 81.94 4.44 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 125.691 1.596 . . . . 0.0 111.306 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -98.04 -57.9 2.11 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.465 2.306 . . . . 0.0 106.861 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.3 p -66.28 -39.23 89.26 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.35 2.26 . . . . 0.0 113.846 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -57.15 -52.05 66.87 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 125.695 1.598 . . . . 0.0 111.726 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.475 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 4.1 ptm85 -64.7 -45.71 85.43 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.495 1.118 . . . . 0.0 110.22 175.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -48.3 -58.59 4.37 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 128.37 2.668 . . . . 0.0 111.067 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -36.09 -61.11 0.51 Allowed 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.419 2.687 . . . . 0.0 113.087 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -64.68 -51.83 60.47 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.804 1.642 . . . . 0.0 113.301 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.25 95.06 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.267 1.827 . . . . 0.0 112.126 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -51.59 -57.48 9.0 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 131.218 3.807 . . . . 0.0 107.967 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -41.0 -56.4 2.28 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 127.352 2.261 . . . . 0.0 111.122 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.44 -51.53 65.32 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 127.401 2.28 . . . . 0.0 113.528 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.79 -46.94 59.84 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 127.423 2.289 . . . . 0.0 111.061 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.274 1.0 OUTLIER -60.42 -59.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.381 1.936 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.721 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -54.37 -12.69 0.72 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 126.289 1.836 . . . . 0.0 115.859 -178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -73.71 -56.28 5.19 Favored 'General case' 0 C--N 1.376 1.718 0 C-N-CA 126.495 1.918 . . . . 0.0 106.551 174.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.84 -49.46 77.64 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 129.841 3.256 . . . . 0.0 112.602 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 C--O 1.26 1.611 0 C-N-CA 129.974 3.31 . . . . 0.0 112.699 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.559 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.13 1 O4'-C1'-N19 112.331 4.131 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.608 0 C5'-C4'-O4' 113.86 3.329 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.457 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.298 0 N19-C1'-C2' 119.252 3.658 . 0.396 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.457 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.309 2 O4'-C1'-N19 115.206 7.006 OUTLIER-EPSILON 0.383 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.084 2 P-O3'-C3' 134.786 12.572 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.15 1 P-O3'-C3' 124.704 4.17 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.687 2 P-O3'-C3' 125.05 4.458 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.114 1 C4'-C3'-C2' 107.032 4.332 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.406 " H2'" ' C8 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.707 1 P-O3'-C3' 130.347 8.872 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.406 ' C8 ' " H2'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.548 2.955 1 O4'-C1'-N19 112.418 4.218 . 0.77 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.416 0 O4'-C1'-N19 111.322 3.122 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.867 0 C5'-C4'-O4' 113.824 3.303 . 0.548 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.928 1 O4'-C1'-N19 112.548 4.348 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.623 1 O4'-C1'-N19 112.613 4.413 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.121 1 O4'-C1'-N19 113.659 5.459 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 120.702 0.287 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.33 86.86 7.35 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.367 1.467 . . . . 0.0 109.225 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -95.9 -61.73 1.4 Allowed 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.817 2.447 . . . . 0.0 107.453 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p -64.05 -42.68 96.95 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.176 2.59 . . . . 0.0 113.981 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -54.79 -52.75 61.68 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.925 2.09 . . . . 0.0 110.609 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -63.35 -53.53 51.07 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 125.877 1.671 . . . . 0.0 109.1 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -43.46 -57.55 3.03 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.258 2.623 . . . . 0.0 112.54 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -36.79 -61.23 0.56 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.939 2.896 . . . . 0.0 114.025 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -53.71 44.02 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 125.327 1.451 . . . . 0.0 111.683 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -52.4 -46.94 66.51 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 128.071 2.548 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -49.32 -60.23 3.01 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 131.395 3.878 . . . . 0.0 109.278 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -42.12 -55.56 3.19 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 127.083 2.153 . . . . 0.0 111.448 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.42 -53.91 44.89 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.218 1.807 . . . . 0.0 113.468 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.22 -47.97 35.34 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.315 2.646 . . . . 0.0 111.812 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.292 1.0 OUTLIER -61.49 -58.82 5.84 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -55.85 -10.88 0.84 Allowed 'General case' 0 C--N 1.37 1.485 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -75.47 -55.67 5.45 Favored 'General case' 0 C--N 1.375 1.695 0 C-N-CA 126.948 2.099 . . . . 0.0 106.349 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -58.77 -48.63 80.56 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 129.968 3.307 . . . . 0.0 112.536 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.261 1.683 0 C-N-CA 129.92 3.288 . . . . 0.0 112.367 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.543 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.979 2 C3'-C2'-C1' 106.081 5.09 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.543 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.88 0 C5'-C4'-O4' 113.94 3.385 . 0.254 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.47 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.085 0 N19-C1'-C2' 119.071 3.544 . 0.574 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.47 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.205 2 O4'-C1'-N19 115.226 7.026 OUTLIER-EPSILON 0.393 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.731 2 P-O3'-C3' 134.668 12.473 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.48 HO2' " H5'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.549 2.966 1 P-O5'-C5' 128.449 4.718 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.48 " H5'" HO2' ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.543 2.537 1 P-O3'-C3' 128.175 7.062 . 0.075 1o . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.508 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.554 3.422 2 O4'-C1'-N19 112.62 4.42 . 0.016 4p . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.508 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.791 2 O4'-C1'-N19 112.564 4.364 . 0.014 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.995 0 O4'-C1'-N19 111.833 3.633 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.304 0 O4'-C1'-N19 111.844 3.644 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.972 0 C5'-C4'-O4' 113.887 3.348 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.014 0 O4'-C1'-N19 111.845 3.645 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.433 0 N19-C1'-C2' 119.243 3.652 . 0.773 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.051 1 O4'-C1'-N19 113.469 5.269 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . 0.477 ' H2 ' H5'' ' A' ' 4' ' ' ' G' . 1.3 t30 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.35 87.22 7.2 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 124.645 1.178 . . . . 0.0 109.003 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -97.46 -62.73 1.21 Allowed 'General case' 0 C--N 1.36 1.063 0 C-N-CA 127.732 2.413 . . . . 0.0 107.583 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -68.01 -43.21 79.35 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.393 2.277 . . . . 0.0 113.764 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -57.12 -44.95 83.79 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 125.584 1.553 . . . . 0.0 110.996 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -66.89 -57.39 7.06 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 126.736 2.014 . . . . 0.0 108.096 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.449 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 6.9 t60 -39.74 -56.23 1.77 Allowed 'General case' 0 C--N 1.379 1.851 0 C-N-CA 129.275 3.03 . . . . 0.0 113.202 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -34.66 -55.69 0.55 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.684 2.794 . . . . 0.0 114.838 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -73.38 -50.48 21.68 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 126.956 2.103 . . . . 0.0 111.539 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -55.84 -45.57 78.38 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 126.788 2.035 . . . . 0.0 111.401 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -46.77 -56.28 6.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 131.171 3.788 . . . . 0.0 108.968 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -43.22 -55.24 4.07 Favored 'General case' 0 C--N 1.374 1.653 0 C-N-CA 127.79 2.436 . . . . 0.0 111.549 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.83 -48.92 67.41 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.584 1.954 . . . . 0.0 112.958 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.474 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -49.28 -48.94 45.66 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.053 2.541 . . . . 0.0 111.644 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.273 1.3 mt -57.19 -59.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.93 -34.62 13.21 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 126.904 2.082 . . . . 0.0 114.086 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 87.0 mtm180 -61.35 -60.01 4.39 Favored 'General case' 0 C--N 1.379 1.885 0 C-N-CA 127.242 2.217 . . . . 0.0 110.083 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -54.77 -54.12 46.26 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 129.165 2.986 . . . . 0.0 112.287 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.261 1.677 0 C-N-CA 130.486 3.514 . . . . 0.0 110.041 178.068 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.543 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.078 1 O4'-C1'-N19 112.342 4.142 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.572 ' H42' ' HA ' ' B' ' 1' ' ' ASN . . . . . . . . 0 C5'--C4' 1.557 3.635 0 O5'-C5'-C4' 114.639 3.171 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.46 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.565 0 N19-C1'-C2' 118.956 3.473 . 0.497 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.524 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.42 1 O4'-C1'-N19 113.919 5.719 . 0.434 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.058 2 C5'-C4'-O4' 115.137 4.241 . 0.81 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.158 1 P-O3'-C3' 124.792 4.244 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.025 1 P-O3'-C3' 128.154 7.045 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.825 HO2' ' HE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.54 2.295 0 C3'-C2'-C1' 104.668 3.52 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.385 1 P-O3'-C3' 125.97 5.225 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.995 0 O4'-C1'-N19 111.516 3.316 . 0.762 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.248 0 O5'-C5'-C4' 114.058 2.756 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.51 0 C5'-C4'-C3' 111.997 -2.336 . 0.611 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 3.023 0 O4'-C1'-N19 111.919 3.719 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.67 0 N19-C1'-C2' 119.266 3.666 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.105 1 O4'-C1'-N19 113.611 5.411 . 0.876 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . 0.572 ' HA ' ' H42' ' A' ' 5' ' ' ' C' . 12.5 t30 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.48 92.88 9.35 Favored 'General case' 0 C--N 1.367 1.356 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -92.34 -68.09 0.82 Allowed 'General case' 0 C--N 1.362 1.127 0 C-N-CA 127.265 2.226 . . . . 0.0 108.502 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.6 p -65.13 -41.98 94.29 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 126.863 2.065 . . . . 0.0 113.949 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -58.38 -46.28 86.67 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.223 2.209 . . . . 0.0 110.548 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.524 HH12 " H3'" ' A' ' 7' ' ' ' C' . 42.2 ttt85 -67.52 -55.93 11.55 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.862 2.065 . . . . 0.0 108.166 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.825 ' HE1' HO2' ' A' ' 11' ' ' ' C' . 23.8 t60 -42.62 -57.15 2.82 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 129.632 3.173 . . . . 0.0 112.12 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -39.59 -57.09 1.54 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 127.337 2.255 . . . . 0.0 113.585 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -64.87 -56.48 13.15 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 126.069 1.747 . . . . 0.0 111.629 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -53.81 -44.48 70.22 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.924 2.49 . . . . 0.0 111.924 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -54.1 -63.51 1.13 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 131.489 3.916 . . . . 0.0 109.515 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -43.51 -52.82 5.93 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.297 2.239 . . . . 0.0 111.335 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.78 -56.79 17.02 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.088 2.955 . . . . 0.0 112.171 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.6 -47.63 58.07 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 129.467 3.107 . . . . 0.0 112.046 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.27 2.0 mt -55.27 -57.84 6.17 Favored 'Isoleucine or valine' 0 C--N 1.378 1.826 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.401 ' HA ' ' OG1' ' B' ' 19' ' ' THR . 30.4 tt0 -50.08 -38.5 38.69 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 127.081 2.152 . . . . 0.0 113.724 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -59.78 -56.62 19.54 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.906 2.082 . . . . 0.0 110.518 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -57.66 -54.57 45.38 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 128.517 2.727 . . . . 0.0 112.226 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' B' ' 16' ' ' GLU . 9.7 p . . . . . 0 C--O 1.261 1.659 0 C-N-CA 130.457 3.503 . . . . 0.0 110.343 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.549 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.017 0 O4'-C1'-N19 112.195 3.995 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.549 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.822 0 O5'-C5'-C4' 114.822 3.302 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.452 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.643 0 N19-C1'-C2' 119.065 3.541 . 0.497 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.554 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.418 3 O4'-C1'-N19 113.924 5.724 . 0.362 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.496 " C5'" HO2' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.191 2 P-O3'-C3' 124.997 4.414 . 0.684 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.317 1 P-O3'-C3' 127.101 6.167 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.006 2 P-O3'-C3' 126.053 5.294 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.402 2 O4'-C1'-N19 112.862 4.662 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.822 0 O4'-C1'-N19 111.554 3.354 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.962 0 O4'-C1'-N19 111.755 3.555 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.154 0 O5'-C5'-C4' 114.164 2.832 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.759 0 C5'-C4'-O4' 113.842 3.316 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.912 1 O4'-C1'-N19 112.471 4.271 . 0.903 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.755 0 O4'-C1'-N19 111.884 3.684 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.204 1 O4'-C1'-N19 113.632 5.432 . 0.867 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . 0.456 ' HA ' ' H42' ' A' ' 5' ' ' ' C' . 7.4 t30 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 120.738 0.304 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.88 91.59 8.71 Favored 'General case' 0 C--N 1.37 1.482 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -63.21 1.18 Allowed 'General case' 0 C--N 1.361 1.091 0 C-N-CA 127.365 2.266 . . . . 0.0 109.692 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p -72.93 -41.38 64.59 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 126.822 2.049 . . . . 0.0 112.704 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -44.56 82.13 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.598 1.559 . . . . 0.0 109.881 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.554 HH12 " H3'" ' A' ' 7' ' ' ' C' . 41.6 ttt85 -65.6 -57.56 7.85 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 126.879 2.071 . . . . 0.0 108.215 174.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -43.28 -54.19 4.74 Favored 'General case' 0 C--N 1.381 1.959 0 C-N-CA 128.254 2.621 . . . . 0.0 112.068 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -43.55 -57.31 3.19 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.544 2.338 . . . . 0.0 112.113 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -61.4 -53.49 55.94 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.858 2.063 . . . . 0.0 112.077 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -58.78 -45.59 89.45 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 127.557 2.343 . . . . 0.0 111.751 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -50.03 -57.85 6.73 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 131.263 3.825 . . . . 0.0 108.945 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -42.56 -53.02 4.56 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.375 2.27 . . . . 0.0 111.141 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.72 -51.63 53.78 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.02 2.128 . . . . 0.0 112.607 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.13 25.69 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.63 2.772 . . . . 0.0 110.998 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.266 1.0 OUTLIER -60.42 -60.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.748 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -50.8 -33.87 25.24 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 126.575 1.95 . . . . 0.0 114.645 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -56.36 -48.68 76.32 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 126.913 2.085 . . . . 0.0 109.14 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.82 -48.59 65.82 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 129.032 2.933 . . . . 0.0 111.68 176.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.262 1.723 0 C-N-CA 129.008 2.923 . . . . 0.0 111.846 -179.615 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.546 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.053 2 C3'-C2'-C1' 105.689 4.655 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.57 ' H42' ' HA ' ' B' ' 1' ' ' ASN . . . . . . . . 0 C5'--C4' 1.558 3.72 0 C5'-C4'-O4' 113.781 3.272 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.465 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.162 1 N19-C1'-C2' 119.856 4.035 . 0.333 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.465 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.369 1 O4'-C1'-N19 114.248 6.048 . 0.428 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.15 0 C5'-C4'-O4' 114.572 3.837 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 1 P-O3'-C3' 127.434 6.445 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.766 2 P-O3'-C3' 125.354 4.711 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.515 1 C4'-C3'-C2' 107.28 4.58 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.536 1 P-O3'-C3' 128.561 7.384 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.892 0 O4'-C1'-N19 111.955 3.755 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.285 0 O4'-C1'-N19 111.391 3.191 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.705 0 C5'-C4'-O4' 114.029 3.449 . 0.498 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.896 1 O4'-C1'-N19 112.97 4.77 . 0.917 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.698 0 O4'-C1'-N19 112.061 3.861 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.222 1 O4'-C1'-N19 113.522 5.322 . 0.88 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . 0.57 ' HA ' ' H42' ' A' ' 5' ' ' ' C' . 14.7 t30 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.23 88.02 7.36 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -95.71 -60.79 1.58 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.781 2.432 . . . . 0.0 108.307 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.4 p -69.23 -38.59 78.59 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 127.331 2.252 . . . . 0.0 113.473 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -56.89 -49.66 74.88 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 125.869 1.668 . . . . 0.0 111.571 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 ptm85 -68.65 -46.3 69.5 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 124.883 1.273 . . . . 0.0 110.312 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -47.93 -57.36 5.81 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 128.249 2.62 . . . . 0.0 111.515 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -38.66 -55.45 1.45 Allowed 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.294 2.638 . . . . 0.0 113.275 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 mtm-85 -67.63 -55.62 12.59 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 126.469 1.908 . . . . 0.0 111.322 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -52.29 -45.68 65.62 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.041 2.537 . . . . 0.0 112.091 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -49.71 -60.37 2.95 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 131.484 3.913 . . . . 0.0 109.374 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -42.4 -53.86 4.06 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.119 2.168 . . . . 0.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.65 -52.99 47.4 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.132 1.773 . . . . 0.0 113.131 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.39 42.29 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.791 2.437 . . . . 0.0 111.463 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.281 1.2 mt -58.65 -62.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.382 1.99 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -44.38 -46.35 9.37 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 127.241 2.217 . . . . 0.0 114.712 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -54.74 -58.94 5.57 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 128.117 2.567 . . . . 0.0 111.48 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.79 -54.19 30.34 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 129.118 2.967 . . . . 0.0 113.569 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.262 1.725 0 C-N-CA 131.106 3.762 . . . . 0.0 110.004 -178.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.559 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.085 1 O4'-C1'-N19 112.216 4.016 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.631 0 C5'-C4'-O4' 113.895 3.353 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.464 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.542 2.439 0 N19-C1'-C2' 119.413 3.758 . 0.605 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.464 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.394 1 O4'-C1'-N19 113.03 4.83 . 0.405 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.925 2 P-O3'-C3' 127.036 6.113 . 0.21 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.396 1 P-O3'-C3' 127.927 6.855 . 0.266 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 3 P-O3'-C3' 125.765 5.054 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.642 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.538 2.149 1 O4'-C1'-N19 112.339 4.139 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.642 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.549 3.017 2 P-O3'-C3' 131.333 9.694 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.845 1 O4'-C1'-N19 112.297 4.097 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . 0.528 HO2' " H5'" ' A' ' 15' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.551 3.143 0 O4'-C1'-N19 111.4 3.2 . 0.849 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . 0.528 " H5'" HO2' ' A' ' 14' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.794 0 C5'-C4'-O4' 114.006 3.433 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . 0.424 ' C6 ' " H2'" ' A' ' 15' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.448 2.852 1 O4'-C1'-N19 112.484 4.284 . 0.896 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.654 0 O4'-C1'-N19 112.122 3.922 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.046 1 O4'-C1'-N19 113.607 5.407 . 0.897 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . 0.516 ' HA ' ' H42' ' A' ' 5' ' ' ' C' . 4.2 t30 . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.85 85.87 6.84 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -97.03 -59.08 1.87 Allowed 'General case' 0 C--N 1.362 1.111 0 C-N-CA 128.148 2.579 . . . . 0.0 108.229 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p -63.83 -41.65 97.8 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 128.309 2.644 . . . . 0.0 114.007 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -56.58 -50.14 72.83 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 127.634 2.374 . . . . 0.0 111.793 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.401 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 6.3 ptm85 -70.25 -47.3 61.94 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.341 1.456 . . . . 0.0 110.357 175.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.545 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 2.9 t60 -45.98 -53.45 10.03 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 129.065 2.946 . . . . 0.0 111.735 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -31.35 -58.9 0.24 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 128.726 2.811 . . . . 0.0 114.519 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -70.44 -52.62 20.89 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.712 2.005 . . . . 0.0 111.713 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -52.24 -41.77 63.06 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.719 2.808 . . . . 0.0 111.936 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -52.33 -58.46 6.59 Favored 'General case' 0 C--N 1.371 1.505 1 C-N-CA 132.138 4.175 . . . . 0.0 108.895 175.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -41.35 -54.08 3.12 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 126.495 1.918 . . . . 0.0 111.437 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.57 -55.76 24.24 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 126.692 1.997 . . . . 0.0 113.348 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.48 56.95 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.98 2.112 . . . . 0.0 112.27 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.3 mt -59.49 -58.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -48.18 -35.99 12.77 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 127.354 2.262 . . . . 0.0 113.605 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -57.89 -59.88 4.56 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 127.702 2.401 . . . . 0.0 110.273 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.55 -56.26 23.49 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 129.645 3.178 . . . . 0.0 112.331 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.261 1.673 0 C-N-CA 130.577 3.551 . . . . 0.0 110.475 178.408 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.557 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.09 0 O4'-C1'-N19 112.03 3.83 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.557 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.019 0 O5'-C5'-C4' 115.074 3.482 . 0.616 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.467 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.658 0 N19-C1'-C2' 119.356 3.723 . 0.515 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.516 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.271 3 O4'-C1'-N19 114.095 5.895 . 0.41 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.489 " C5'" HO2' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.119 2 P-O3'-C3' 125.698 4.999 . 0.741 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 1 P-O3'-C3' 125.337 4.697 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.509 2 P-O3'-C3' 126.575 5.729 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.53 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.546 2.735 0 C4'-C3'-C2' 105.997 3.297 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.53 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.688 1 P-O3'-C3' 126.868 5.973 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.155 0 O4'-C1'-N19 111.51 3.31 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.873 0 O4'-C1'-N19 111.129 2.929 . 0.641 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.536 0 C5'-C4'-O4' 113.803 3.288 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.954 1 O4'-C1'-N19 112.346 4.146 . 0.894 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.634 1 N19-C1'-C2' 119.922 4.076 . 0.641 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.082 1 O4'-C1'-N19 113.558 5.358 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 120.617 0.246 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.27 87.82 7.42 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 125.258 1.423 . . . . 0.0 109.245 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -96.71 -63.34 1.15 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.056 2.143 . . . . 0.0 107.239 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.2 p -67.07 -43.76 81.8 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 127.138 2.175 . . . . 0.0 113.882 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -55.36 -50.16 70.4 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.335 1.454 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.516 HH12 " H3'" ' A' ' 7' ' ' ' C' . 46.4 ttt85 -62.2 -56.35 19.58 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 126.861 2.064 . . . . 0.0 108.874 175.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.403 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 20.9 t60 -43.21 -58.45 2.5 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 129.132 2.973 . . . . 0.0 111.952 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -37.95 -57.22 1.06 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 127.9 2.48 . . . . 0.0 113.394 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.28 -55.72 12.75 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.82 2.048 . . . . 0.0 111.905 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 127.572 2.349 . . . . 0.0 111.533 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -55.44 -62.07 1.92 Allowed 'General case' 0 C--N 1.369 1.437 0 C-N-CA 131.506 3.923 . . . . 0.0 109.319 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -43.33 -52.8 5.63 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 126.831 2.052 . . . . 0.0 111.425 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.24 -56.19 23.4 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 129.129 2.972 . . . . 0.0 111.882 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.433 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -50.28 -47.77 55.24 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 129.661 3.185 . . . . 0.0 112.369 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.7 mt -54.86 -57.98 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.828 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 178.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.97 -40.85 61.53 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 126.803 2.041 . . . . 0.0 113.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 82.8 mtm180 -58.21 -54.99 40.79 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 127.424 2.29 . . . . 0.0 110.817 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.65 -54.75 42.82 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.982 2.513 . . . . 0.0 112.173 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.261 1.684 0 C-N-CA 130.403 3.481 . . . . 0.0 110.371 178.619 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.557 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.976 1 C3'-C2'-C1' 105.173 4.081 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.557 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.794 0 C5'-C4'-O4' 114.074 3.481 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.467 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.417 0 N19-C1'-C2' 118.717 3.323 . 0.522 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.506 HO2' " C5'" ' A' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.307 3 O4'-C1'-N19 113.891 5.691 . 0.436 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.506 " C5'" HO2' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.552 3.265 2 P-O3'-C3' 126.234 5.445 . 0.767 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 0 OP1-P-OP2 116.629 -1.981 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.654 1 P-O3'-C3' 126.373 5.561 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.494 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.646 0 C4'-C3'-C2' 106.451 3.751 OUTLIER-DELTA 0.0 OUTLIER '7D dist 4p' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.494 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.539 2.267 1 P-O3'-C3' 125.387 4.739 . 0.025 2a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.438 ' C8 ' " H2'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.048 1 O4'-C1'-N19 112.62 4.42 . 0.821 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.333 0 O4'-C1'-N19 111.938 3.738 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . 0.442 " H2'" ' C6 ' ' A' ' 16' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.887 0 C5'-C4'-O4' 113.954 3.396 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . 0.442 ' C6 ' " H2'" ' A' ' 15' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.451 3.106 0 O4'-C1'-N19 112.126 3.926 . 0.902 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.461 0 O4'-C1'-N19 112.131 3.931 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.071 2 O4'-C1'-N19 114.261 6.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . 0.489 ' HA ' ' H42' ' A' ' 5' ' ' ' C' . 6.1 p-10 . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.2 90.07 8.03 Favored 'General case' 0 C--N 1.376 1.722 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.37 -65.62 0.96 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.984 2.113 . . . . 0.0 108.03 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p -67.45 -44.3 79.0 Favored 'General case' 0 C--N 1.374 1.648 0 C-N-CA 127.042 2.137 . . . . 0.0 113.61 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -55.29 -44.35 75.64 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.228 1.811 . . . . 0.0 110.491 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.495 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 29.8 ttt85 -67.61 -60.22 2.72 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.593 2.357 . . . . 0.0 107.921 175.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -39.88 -54.43 2.16 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 130.018 3.327 . . . . 0.0 112.903 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.57 -51.56 1.18 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.035 2.534 . . . . 0.0 114.22 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.18 -51.17 10.62 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.465 2.306 . . . . 0.0 111.134 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.465 HH12 HH22 ' B' ' 17' ' ' ARG . 0.0 OUTLIER -52.62 -44.45 66.06 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 128.451 2.701 . . . . 0.0 111.889 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -51.11 -57.92 7.44 Favored 'General case' 0 C--N 1.37 1.491 1 C-N-CA 132.261 4.225 . . . . 0.0 108.215 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -42.33 -56.92 2.78 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 127.433 2.293 . . . . 0.0 111.37 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.31 -51.77 66.35 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.771 2.028 . . . . 0.0 113.274 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.92 -48.99 51.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.086 2.154 . . . . 0.0 111.297 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.277 1.1 mt -58.5 -60.38 2.38 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 C-N-CA 124.332 1.053 . . . . 0.0 108.345 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.401 ' HA ' ' OG1' ' B' ' 19' ' ' THR . 39.5 mt-10 -48.67 -36.64 16.5 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 127.068 2.147 . . . . 0.0 114.649 -177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.465 HH22 HH12 ' B' ' 10' ' ' ARG . 84.2 mtm-85 -61.16 -58.45 8.29 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 126.601 1.96 . . . . 0.0 110.626 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.83 -53.88 51.37 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.836 2.854 . . . . 0.0 112.201 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' B' ' 16' ' ' GLU . 6.5 p . . . . . 0 C--O 1.261 1.673 0 C-N-CA 130.286 3.434 . . . . 0.0 110.106 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.571 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.038 2 C3'-C2'-C1' 105.196 4.107 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.571 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.558 3.683 0 C5'-C4'-O4' 113.951 3.394 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.469 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.125 0 N19-C1'-C2' 119.511 3.819 . 0.493 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.507 HO2' " C5'" ' A' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.554 3.359 3 O4'-C1'-N19 114.085 5.885 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.507 " C5'" HO2' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.552 3.206 2 P-O3'-C3' 124.928 4.357 . 0.666 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.468 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.337 1 P-O3'-C3' 127.765 6.721 . 0.619 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.73 1 P-O3'-C3' 125.778 5.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.49 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.539 2.244 0 C4'-C3'-C2' 106.505 3.805 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.49 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.903 1 P-O3'-C3' 130.874 9.311 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.16 0 O4'-C1'-N19 111.337 3.137 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.886 0 C5'-C4'-C3' 111.076 -2.949 . 0.694 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.668 0 C5'-C4'-O4' 113.68 3.2 . 0.514 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 1 O4'-C1'-N19 112.445 4.245 . 0.914 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.739 1 O4'-C1'-N19 112.738 4.538 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.084 1 O4'-C1'-N19 113.667 5.467 . 0.907 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.617 0.246 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.64 85.53 7.09 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -96.76 -58.53 2.02 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.815 2.446 . . . . 0.0 109.438 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p -71.9 -38.55 69.93 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 127.331 2.252 . . . . 0.0 113.166 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -56.39 -48.65 76.46 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.267 1.827 . . . . 0.0 111.548 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.438 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 7.1 ptm85 -70.41 -45.04 66.7 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 125.109 1.363 . . . . 0.0 110.415 174.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -48.58 -56.29 8.82 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 128.353 2.661 . . . . 0.0 110.938 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -38.24 -55.44 1.32 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.583 2.753 . . . . 0.0 112.869 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -65.04 -57.69 8.02 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.227 2.211 . . . . 0.0 111.645 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -54.98 -43.38 73.49 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 128.445 2.698 . . . . 0.0 112.462 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -51.99 -59.01 4.84 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 131.274 3.829 . . . . 0.0 108.855 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -41.91 -55.17 3.2 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 127.098 2.159 . . . . 0.0 111.478 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.91 -52.42 59.95 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.196 1.799 . . . . 0.0 113.806 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.91 -46.68 60.84 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 127.534 2.334 . . . . 0.0 111.888 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.282 1.0 OUTLIER -60.29 -58.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.87 -9.25 0.76 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.958 1.703 . . . . 0.0 115.46 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -76.21 -57.26 3.97 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 126.583 1.953 . . . . 0.0 105.827 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -57.28 -49.18 76.89 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 130.441 3.497 . . . . 0.0 112.831 178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 C--O 1.261 1.675 0 C-N-CA 130.165 3.386 . . . . 0.0 112.638 179.766 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.562 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.079 1 C3'-C2'-C1' 105.508 4.453 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.562 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.03 0 P-O3'-C3' 123.955 3.546 . 0.501 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.46 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.307 0 N19-C1'-C2' 119.197 3.623 . 0.585 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.511 HO2' " C5'" ' A' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.554 3.35 3 O4'-C1'-N19 113.947 5.747 . 0.48 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.545 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.451 2 P-O3'-C3' 125.303 4.669 . 0.572 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.545 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.554 3.401 1 P-O3'-C3' 128.97 7.725 . 0.683 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.37 2 P-O3'-C3' 126.196 5.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.142 2 O4'-C1'-N19 112.886 4.686 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.51 1 P-O3'-C3' 124.725 4.188 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.928 1 O4'-C1'-N19 112.608 4.408 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.477 0 O5'-C5'-C4' 113.735 2.525 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.532 0 N19-C1'-C2' 118.195 2.997 . 0.432 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.929 0 O4'-C1'-N19 111.963 3.763 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.401 0 N19-C1'-C2' 119.336 3.71 . 0.68 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.033 1 O4'-C1'-N19 113.605 5.405 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.783 0.325 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.87 87.67 7.36 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.689 1.596 . . . . 0.0 108.772 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -98.05 -60.06 1.63 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 128.093 2.557 . . . . 0.0 107.876 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.3 p -67.34 -42.88 82.83 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 127.576 2.35 . . . . 0.0 113.871 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -53.05 -50.84 63.49 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.363 1.865 . . . . 0.0 112.027 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.506 HH12 " H3'" ' A' ' 7' ' ' ' C' . 7.7 ptm85 -69.37 -45.32 69.63 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 125.275 1.43 . . . . 0.0 110.647 175.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -48.65 -54.03 16.31 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 128.239 2.616 . . . . 0.0 110.751 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -39.03 -53.14 1.81 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 128.443 2.697 . . . . 0.0 112.875 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -69.36 -54.61 13.64 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 127.31 2.244 . . . . 0.0 111.534 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -53.74 -44.42 69.93 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 128.801 2.84 . . . . 0.0 112.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -51.88 -56.93 11.1 Favored 'General case' 0 C--N 1.37 1.475 1 C-N-CA 131.729 4.011 . . . . 0.0 108.528 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -42.04 -54.07 3.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 127.14 2.176 . . . . 0.0 111.384 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.05 -53.54 48.31 Favored 'General case' 0 C--N 1.368 1.402 0 C-N-CA 126.456 1.902 . . . . 0.0 113.321 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.41 -46.4 56.24 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.443 2.297 . . . . 0.0 112.008 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -61.08 -58.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 176.736 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -51.87 -27.65 13.44 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 126.041 1.737 . . . . 0.0 114.372 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -57.52 -51.66 68.57 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 126.549 1.94 . . . . 0.0 108.399 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -66.53 -48.47 69.63 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 130.18 3.392 . . . . 0.0 112.41 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--O 1.261 1.71 0 C-N-CA 129.077 2.951 . . . . 0.0 112.194 -179.34 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.547 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.034 1 C3'-C2'-C1' 105.821 4.801 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.547 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.895 0 C5'-C4'-O4' 113.971 3.408 . 0.567 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.449 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.542 2.469 0 N19-C1'-C2' 119.612 3.882 . 0.461 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.449 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.418 1 O4'-C1'-N19 112.719 4.519 . 0.387 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.468 H5'' HH22 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.547 2.872 2 P-O3'-C3' 127.273 6.311 . 0.108 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.073 1 P-O3'-C3' 125.861 5.134 . 0.325 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.906 2 P-O3'-C3' 125.026 4.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.663 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.54 2.277 1 O4'-C1'-N19 112.36 4.16 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.663 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 P--O3' 1.578 -2.436 1 P-O3'-C3' 129.693 8.328 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.443 ' C8 ' " H2'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.548 2.929 1 O4'-C1'-N19 112.786 4.586 . 0.859 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.341 0 O5'-C5'-C4' 114.268 2.906 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.641 0 N19-C1'-C2' 118.099 2.937 . 0.448 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.962 0 O4'-C1'-N19 111.879 3.679 . 0.384 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.511 0 N19-C1'-C2' 119.411 3.757 . 0.702 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.054 1 O4'-C1'-N19 113.41 5.21 . 0.547 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . 0.448 ' HA ' ' H42' ' A' ' 5' ' ' ' C' . 7.4 p-10 . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.45 88.0 7.55 Favored 'General case' 0 C--N 1.372 1.578 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -95.04 -63.93 1.12 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 126.629 1.972 . . . . 0.0 107.623 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.6 p -65.25 -45.73 83.39 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 126.933 2.093 . . . . 0.0 113.331 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.68 -42.93 71.99 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.196 1.798 . . . . 0.0 111.912 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.468 HH22 H5'' ' A' ' 8' ' ' ' U' . 37.6 ttt85 -70.21 -57.87 4.43 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.733 2.413 . . . . 0.0 108.196 174.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.4 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 15.4 t60 -41.99 -55.38 3.17 Favored 'General case' 0 C--N 1.378 1.809 0 C-N-CA 129.867 3.267 . . . . 0.0 112.791 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -37.41 -51.28 1.11 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 128.547 2.739 . . . . 0.0 113.744 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 68.2 mtm-85 -75.39 -54.02 7.75 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.526 1.93 . . . . 0.0 111.348 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -51.57 -44.9 62.92 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 128.131 2.573 . . . . 0.0 112.306 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -50.81 -58.85 4.93 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 131.582 3.953 . . . . 0.0 109.003 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -42.63 -53.84 4.26 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 127.31 2.244 . . . . 0.0 111.577 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.37 -53.62 45.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.377 1.871 . . . . 0.0 113.287 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.0 53.89 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 127.51 2.324 . . . . 0.0 111.77 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.283 1.0 OUTLIER -60.45 -58.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.378 1.827 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 176.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -52.06 -27.75 14.93 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.141 1.776 . . . . 0.0 114.618 -178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -58.37 -52.66 64.66 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 126.332 1.853 . . . . 0.0 108.204 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.6 -48.86 73.37 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 129.842 3.257 . . . . 0.0 112.357 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--O 1.261 1.66 0 C-N-CA 129.051 2.94 . . . . 0.0 112.141 -179.41 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.558 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.124 1 O4'-C1'-N19 112.21 4.01 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.558 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.776 0 O5'-C5'-C4' 114.807 3.291 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.49 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.396 0 N19-C1'-C2' 119.225 3.641 . 0.557 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.49 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.217 2 O4'-C1'-N19 114.003 5.803 . 0.56 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.048 1 P-O3'-C3' 124.702 4.168 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.22 0 C4'-C3'-C2' 105.454 2.754 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.318 1 P-O3'-C3' 126.717 5.848 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.443 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.832 2 O4'-C1'-N19 112.916 4.716 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.443 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.958 2 P-O3'-C3' 126.643 5.785 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.411 ' C8 ' " H2'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.097 1 O4'-C1'-N19 112.256 4.056 . 0.742 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.46 0 O4'-C1'-N19 111.803 3.603 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.032 0 C5'-C4'-O4' 114.079 3.485 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.84 1 O4'-C1'-N19 112.342 4.142 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.709 1 O4'-C1'-N19 112.312 4.112 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.081 1 O4'-C1'-N19 113.408 5.208 . 0.873 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.996 0.427 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.26 25.31 1.01 Allowed 'General case' 0 C--N 1.367 1.362 0 C-N-CA 125.231 1.412 . . . . 0.0 114.71 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -43.87 -50.53 7.95 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.631 3.173 . . . . 0.0 113.308 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.0 p -75.99 -39.83 55.01 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 126.701 2.001 . . . . 0.0 113.537 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -57.07 -52.23 66.11 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 125.112 1.365 . . . . 0.0 110.741 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.443 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 5.9 ptm85 -63.28 -47.09 83.78 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.308 1.443 . . . . 0.0 110.909 175.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -50.13 -55.75 13.74 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 128.007 2.523 . . . . 0.0 111.519 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -41.49 -56.74 2.44 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.784 2.434 . . . . 0.0 113.178 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -61.68 -55.55 29.22 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.858 2.063 . . . . 0.0 111.225 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -54.34 -47.22 72.79 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.183 2.593 . . . . 0.0 111.912 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -49.52 -59.03 4.12 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.262 3.825 . . . . 0.0 108.344 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -40.82 -56.01 2.31 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 127.254 2.222 . . . . 0.0 111.881 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.81 -53.76 45.79 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.292 1.837 . . . . 0.0 113.084 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.68 -47.96 40.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.351 2.26 . . . . 0.0 111.682 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.278 0.9 OUTLIER -60.83 -59.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.54 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' HA ' ' OG1' ' B' ' 19' ' ' THR . 29.8 tt0 -47.91 -38.89 17.48 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 127.404 2.282 . . . . 0.0 114.117 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -57.45 -58.21 9.3 Favored 'General case' 0 C--N 1.374 1.636 0 C-N-CA 127.858 2.463 . . . . 0.0 110.599 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -57.42 -56.02 27.33 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 129.081 2.952 . . . . 0.0 112.112 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' B' ' 16' ' ' GLU . 5.7 p . . . . . 0 C--O 1.261 1.674 0 C-N-CA 130.462 3.505 . . . . 0.0 110.491 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.531 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.032 1 C3'-C2'-C1' 105.305 4.227 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.58 ' H42' ' HA ' ' B' ' 1' ' ' ASN . . . . . . . . 0 C5'--C4' 1.559 3.737 1 P-O3'-C3' 124.719 4.182 . 0.342 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.448 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.523 0 O4'-C1'-N19 111.727 3.527 . 0.479 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.498 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.313 1 O4'-C1'-N19 113.934 5.734 . 0.323 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.064 1 C5'-C4'-O4' 115.061 4.186 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.103 1 P-O3'-C3' 125.564 4.887 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.681 2 P-O3'-C3' 125.207 4.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.529 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.651 0 C4'-C3'-C2' 106.298 3.598 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.529 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.706 1 P-O3'-C3' 129.506 8.172 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.148 1 O4'-C1'-N19 112.445 4.245 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.36 0 O5'-C5'-C4' 113.94 2.672 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.519 0 N19-C1'-C2' 117.736 2.71 . 0.518 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.028 0 O4'-C1'-N19 112.071 3.871 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 1 N19-C1'-C2' 119.868 4.042 . 0.64 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.974 1 O4'-C1'-N19 113.69 5.49 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . 0.58 ' HA ' ' H42' ' A' ' 5' ' ' ' C' . 10.2 t30 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.43 92.8 9.21 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -92.47 -69.22 0.75 Allowed 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.85 2.06 . . . . 0.0 107.466 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.4 p -63.15 -44.34 95.79 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.003 1.721 . . . . 0.0 113.729 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.66 -47.77 79.08 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.117 1.767 . . . . 0.0 111.741 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.498 HH12 " H3'" ' A' ' 7' ' ' ' C' . 47.9 ttt85 -66.29 -55.26 16.9 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 126.265 1.826 . . . . 0.0 108.623 174.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.429 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 18.5 t60 -44.77 -58.55 3.02 Favored 'General case' 0 C--N 1.376 1.733 0 C-N-CA 129.303 3.041 . . . . 0.0 112.583 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -38.31 -57.87 1.06 Allowed 'General case' 0 C--N 1.368 1.402 0 C-N-CA 128.186 2.594 . . . . 0.0 113.235 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -69.33 -52.36 28.06 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 125.622 1.569 . . . . 0.0 112.16 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -55.29 -44.35 75.63 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 126.526 1.93 . . . . 0.0 112.261 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -49.66 -57.91 6.3 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 131.665 3.986 . . . . 0.0 108.975 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -42.76 -55.19 3.74 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.159 2.184 . . . . 0.0 111.542 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.474 1.91 . . . . 0.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.91 -47.46 64.63 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.019 2.528 . . . . 0.0 112.058 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.1 mt -60.08 -60.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -53.28 -28.97 30.68 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 126.343 1.857 . . . . 0.0 114.533 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -59.58 -50.69 72.89 Favored 'General case' 0 C--N 1.377 1.762 0 C-N-CA 126.779 2.032 . . . . 0.0 108.441 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.44 -49.81 67.75 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 128.634 2.774 . . . . 0.0 111.925 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 C--O 1.262 1.714 0 C-N-CA 129.146 2.978 . . . . 0.0 112.147 -179.465 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.557 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.151 1 C3'-C2'-C1' 105.574 4.526 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.557 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.747 0 C5'-C4'-O4' 113.787 3.276 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.477 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.097 0 N19-C1'-C2' 119.39 3.744 . 0.343 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.477 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.267 2 O4'-C1'-N19 114.297 6.097 . 0.315 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.521 HO2' " H5'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.025 1 C5'-C4'-O4' 114.839 4.028 . 0.683 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.521 " H5'" HO2' ' A' ' 8' ' ' ' U' . . . . . . . . 0 P--O3' 1.568 -3.26 1 P-O3'-C3' 128.129 7.024 . 0.699 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.537 2 P-O3'-C3' 125.353 4.711 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.436 " H1'" ' CE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.543 2.527 1 C4'-C3'-C2' 107.176 4.476 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.617 1 P-O3'-C3' 128.914 7.678 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.062 0 O4'-C1'-N19 111.648 3.448 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.129 0 C5'-C4'-C3' 109.863 -3.758 . 0.375 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.578 -2.378 0 P-O3'-C3' 123.833 3.444 . 0.213 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.793 1 O4'-C1'-N19 112.586 4.386 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.697 0 O4'-C1'-N19 112.133 3.933 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.276 1 O4'-C1'-N19 113.648 5.448 . 0.869 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.3 94.29 9.3 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 125.215 1.406 . . . . 0.0 107.592 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -96.26 -69.29 0.76 Allowed 'General case' 0 C--N 1.356 0.889 0 C-N-CA 128.648 2.779 . . . . 0.0 107.783 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.0 p -65.25 -41.42 94.31 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.398 2.279 . . . . 0.0 113.809 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -55.26 -48.75 73.55 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 126.894 2.078 . . . . 0.0 112.341 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.406 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 5.4 ptm85 -70.61 -49.88 43.02 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.562 1.545 . . . . 0.0 110.405 175.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.436 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 8.9 t60 -42.87 -52.83 4.94 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 129.954 3.302 . . . . 0.0 112.446 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -31.52 -55.06 0.26 Allowed 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.289 3.035 . . . . 0.0 115.043 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -51.81 12.3 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 126.911 2.084 . . . . 0.0 111.83 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -52.95 -43.61 66.46 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.878 2.471 . . . . 0.0 111.542 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -51.26 -57.57 8.49 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 131.388 3.875 . . . . 0.0 108.738 175.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -41.08 -56.04 2.42 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 127.152 2.181 . . . . 0.0 111.808 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.94 -52.25 63.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 127.319 2.248 . . . . 0.0 113.75 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.87 -48.61 66.99 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.595 1.958 . . . . 0.0 111.134 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.278 1.4 mt -58.02 -61.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.952 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -41.8 -50.31 4.35 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.745 2.418 . . . . 0.0 113.847 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -51.43 -57.66 8.38 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.412 2.285 . . . . 0.0 112.339 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -66.1 -55.47 16.31 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 128.993 2.917 . . . . 0.0 113.415 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.259 1.56 0 C-N-CA 131.208 3.803 . . . . 0.0 110.369 -178.606 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.528 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.577 1 O4'-C1'-N19 113.687 5.487 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.528 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.28 1 P-O3'-C3' 135.344 13.037 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.457 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.387 0 N19-C1'-C2' 119.244 3.653 . 0.705 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.457 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.336 2 O4'-C1'-N19 112.82 4.62 . 0.498 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.887 2 P-O3'-C3' 127.773 6.727 . 0.298 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.128 1 P-O3'-C3' 127.523 6.519 . 0.236 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.733 1 P-O3'-C3' 125.531 4.859 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.504 " H1'" ' CE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.543 2.561 0 C4'-C3'-C2' 106.613 3.913 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.11 1 P-O3'-C3' 131.482 9.818 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.024 0 O4'-C1'-N19 111.864 3.664 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.371 0 O4'-C1'-N19 111.305 3.105 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . 0.403 " H2'" ' C6 ' ' A' ' 16' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.8 0 C5'-C4'-O4' 114.021 3.444 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . 0.403 ' C6 ' " H2'" ' A' ' 15' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.548 2.896 0 O4'-C1'-N19 112.154 3.954 . 0.909 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.504 1 O4'-C1'-N19 112.362 4.162 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.106 1 O4'-C1'-N19 113.468 5.268 . 0.899 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.03 -42.39 72.58 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.423 1.889 . . . . 0.0 115.16 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -56.96 -48.91 77.25 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 126.305 1.842 . . . . 0.0 108.555 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . 0.275 33.0 p -62.64 -32.48 73.53 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 117.332 -1.318 . . . . 0.0 112.362 175.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -62.66 -55.1 30.02 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-N 121.03 1.741 . . . . 0.0 111.088 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -60.7 -46.17 91.39 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.701 1.6 . . . . 0.0 110.516 176.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.504 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 7.9 t60 -49.06 -57.65 6.23 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 128.658 2.783 . . . . 0.0 110.984 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -32.17 -55.13 0.32 Allowed 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.89 2.476 . . . . 0.0 114.905 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -76.36 -53.12 8.62 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 126.077 1.751 . . . . 0.0 111.139 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -50.33 -42.21 52.5 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.172 2.589 . . . . 0.0 112.099 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -52.31 -59.08 4.84 Favored 'General case' 0 C--N 1.371 1.5 1 C-N-CA 132.276 4.23 . . . . 0.0 109.284 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -42.44 -53.8 4.12 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 127.186 2.194 . . . . 0.0 111.492 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.93 -52.34 56.94 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 126.714 2.005 . . . . 0.0 113.46 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.88 -46.35 64.46 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.632 2.373 . . . . 0.0 112.392 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.28 1.1 mt -60.79 -57.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.377 1.77 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.69 -14.56 1.4 Allowed 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.532 1.933 . . . . 0.0 114.869 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -69.92 -56.27 7.47 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 126.576 1.951 . . . . 0.0 106.578 174.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.09 -50.1 75.02 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 130.433 3.493 . . . . 0.0 112.818 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 C--O 1.26 1.622 0 C-N-CA 129.828 3.251 . . . . 0.0 112.812 -179.561 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.556 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.532 1.657 1 O4'-C1'-N19 112.415 4.215 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.556 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.804 0 O4'-C1'-N19 111.643 3.443 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.657 1 N19-C1'-C2' 120.134 4.209 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.393 1 O4'-C1'-N19 112.731 4.531 . 0.217 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 2 P-O3'-C3' 128.53 7.358 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.076 1 P-O3'-C3' 126.1 5.333 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.248 1 P-O3'-C3' 124.946 4.371 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.679 HO2' " H5'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.541 2.383 0 C3'-C2'-C1' 105.045 3.939 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.679 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 P--O3' 1.579 -2.366 1 P-O3'-C3' 128.375 7.229 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . 0.448 ' C8 ' " H2'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.07 0 O4'-C1'-N19 112.043 3.843 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . 0.553 HO2' " H5'" ' A' ' 15' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.548 2.927 0 O4'-C1'-N19 111.157 2.957 . 0.683 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . 0.553 " H5'" HO2' ' A' ' 14' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.715 0 C5'-C4'-O4' 113.842 3.316 . 0.373 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . 0.421 ' C6 ' " H2'" ' A' ' 15' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.548 2.917 1 O4'-C1'-N19 112.571 4.371 . 0.812 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.532 1 N19-C1'-C2' 120.347 4.342 . 0.647 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.863 1 O4'-C1'-N19 113.626 5.426 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.72 80.54 0.44 Allowed 'General case' 0 C--N 1.373 1.612 0 C-N-CA 126.172 1.789 . . . . 0.0 114.356 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -99.81 -57.85 2.05 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 128.714 2.805 . . . . 0.0 106.415 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.5 p -64.04 -46.33 84.89 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 127.669 2.387 . . . . 0.0 113.86 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -51.22 -51.07 57.41 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.921 1.688 . . . . 0.0 111.092 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -62.55 -58.34 7.91 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 128.013 2.525 . . . . 0.0 109.054 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -45.56 -55.27 6.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 128.899 2.879 . . . . 0.0 113.24 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -38.02 -60.77 0.72 Allowed 'General case' 0 C--N 1.369 1.423 0 C-N-CA 128.902 2.881 . . . . 0.0 113.048 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.271 29.1 ptt-85 -66.59 -52.58 43.77 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 125.132 1.373 . . . . 0.0 112.687 177.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -51.64 -47.16 63.83 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 128.078 2.551 . . . . 0.0 111.736 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -50.19 -60.56 2.85 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 131.504 3.922 . . . . 0.0 108.933 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -42.88 -55.72 3.58 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 126.394 1.878 . . . . 0.0 111.803 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.38 -53.21 58.29 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.063 1.745 . . . . 0.0 113.601 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.33 -48.36 46.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 127.831 2.452 . . . . 0.0 111.009 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.272 1.6 mt -58.2 -60.64 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.379 1.891 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -57.19 -7.83 0.6 Allowed 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.806 2.043 . . . . 0.0 115.89 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -86.29 -57.0 3.18 Favored 'General case' 0 C--N 1.372 1.585 0 C-N-CA 127.482 2.313 . . . . 0.0 107.103 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -54.64 -49.82 69.62 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.895 2.878 . . . . 0.0 112.256 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--O 1.261 1.695 0 C-N-CA 131.273 3.829 . . . . 0.0 112.242 178.353 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ' G' . . . . . 0.543 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.063 0 O4'-C1'-N19 111.991 3.791 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . 0.543 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.033 0 O5'-C5'-C4' 115.203 3.574 . 0.539 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.471 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.687 0 O4'-C1'-N19 111.608 3.408 . 0.537 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ' C' . . . . . 0.471 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.444 1 O4'-C1'-N19 112.654 4.454 . 0.394 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ' U' . . . . . 0.444 H5'' HH22 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.546 2.771 2 P-O3'-C3' 128.583 7.403 . 0.335 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.116 1 P-O3'-C3' 126.29 5.491 . 0.309 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.843 1 P-O3'-C3' 125.123 4.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ' C' . . . . . 0.46 " H1'" ' CE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 2.47 0 C4'-C3'-C2' 106.581 3.881 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ' A' . . . . . 0.422 " H5'" HO2' ' A' ' 11' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.797 2 P-O3'-C3' 131.027 9.439 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.025 0 O4'-C1'-N19 111.664 3.464 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.194 0 O4'-C1'-N19 111.23 3.03 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.785 0 C5'-C4'-O4' 113.685 3.204 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.904 0 O4'-C1'-N19 112.07 3.87 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.626 0 N19-C1'-C2' 119.597 3.873 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.156 1 O4'-C1'-N19 113.629 5.429 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 120.631 0.253 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.52 85.41 7.43 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 125.228 1.411 . . . . 0.0 109.207 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -95.52 -62.64 1.26 Allowed 'General case' 0 C--N 1.361 1.098 0 C-N-CA 127.105 2.162 . . . . 0.0 106.539 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 24.3 p -65.89 -43.77 87.3 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 126.73 2.012 . . . . 0.0 114.099 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.33 -46.9 82.79 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 125.47 1.508 . . . . 0.0 111.731 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.444 HH22 H5'' ' A' ' 8' ' ' ' U' . 26.3 ttt85 -67.03 -51.87 49.41 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 125.99 1.716 . . . . 0.0 108.731 174.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' HIS . . . . . 0.46 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 17.2 t60 -43.35 -58.09 2.72 Favored 'General case' 0 C--N 1.38 1.911 0 C-N-CA 128.701 2.8 . . . . 0.0 110.904 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -35.55 -56.99 0.64 Allowed 'General case' 0 C--N 1.371 1.521 0 C-N-CA 128.218 2.607 . . . . 0.0 113.567 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -63.89 -57.25 10.37 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.69 2.396 . . . . 0.0 112.088 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -59.24 -44.04 92.37 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 128.938 2.895 . . . . 0.0 112.907 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.13 -57.27 8.07 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 131.29 3.836 . . . . 0.0 108.675 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -40.77 -56.88 2.07 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 128.094 2.558 . . . . 0.0 111.527 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.15 -52.34 59.53 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.852 2.061 . . . . 0.0 113.421 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.23 63.97 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 127.053 2.141 . . . . 0.0 112.139 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.3 0.8 OUTLIER -62.55 -57.69 10.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 177.056 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.27 -27.48 9.37 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 125.95 1.7 . . . . 0.0 114.637 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -58.68 -51.4 70.08 Favored 'General case' 0 C--N 1.377 1.769 0 C-N-CA 126.326 1.85 . . . . 0.0 108.578 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -66.27 -48.0 71.85 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 129.765 3.226 . . . . 0.0 112.377 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.261 1.706 0 C-N-CA 129.032 2.933 . . . . 0.0 112.184 -179.359 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.463 0.221 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.45 -49.74 73.73 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.777 1.631 . . . . 0.0 111.338 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -65.69 -54.41 27.82 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.076 2.15 . . . . 0.0 108.602 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -42.91 -58.56 2.34 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 128.686 2.794 . . . . 0.0 112.682 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -32.69 -60.68 0.3 Allowed 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.899 2.879 . . . . 0.0 114.573 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -72.63 -48.32 40.47 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 126.584 1.954 . . . . 0.0 113.129 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -54.83 -44.63 74.07 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.322 2.249 . . . . 0.0 110.839 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -49.62 -60.87 2.48 Favored 'General case' 0 C--N 1.373 1.589 1 C-N-CA 132.219 4.208 . . . . 0.0 109.737 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -41.9 -54.03 3.58 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.129 2.172 . . . . 0.0 111.404 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.24 -52.28 55.52 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.588 2.355 . . . . 0.0 113.295 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.14 -48.31 44.89 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 128.026 2.531 . . . . 0.0 110.851 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.0 OUTLIER -60.99 -60.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.379 1.861 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 176.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.37 1.46 0 C-N-CA 127.339 2.256 . . . . 0.0 116.035 -178.365 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -56.62 -49.22 75.6 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.762 2.025 . . . . 0.0 110.88 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -66.28 -55.02 18.09 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.621 1.969 . . . . 0.0 108.892 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -43.58 -56.78 3.49 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 128.953 2.901 . . . . 0.0 112.272 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -38.68 -56.83 1.27 Allowed 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.177 2.591 . . . . 0.0 113.465 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -68.74 -53.38 22.28 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.221 2.209 . . . . 0.0 111.652 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -56.22 -45.47 79.92 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.888 2.075 . . . . 0.0 112.047 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -47.58 -58.43 4.26 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 131.463 3.905 . . . . 0.0 108.824 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -42.45 -56.14 3.15 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 127.381 2.272 . . . . 0.0 111.845 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.18 -49.96 65.54 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.493 1.917 . . . . 0.0 113.441 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.53 -48.52 57.12 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 127.89 2.476 . . . . 0.0 111.153 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.4 mt -57.79 -62.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 . . . . . 0 C--N 1.372 1.551 0 C-N-CA 127.178 2.191 . . . . 0.0 114.394 -178.452 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -57.15 -52.05 66.87 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 125.695 1.598 . . . . 0.0 111.726 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 ptm85 -64.7 -45.71 85.43 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.495 1.118 . . . . 0.0 110.22 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -48.3 -58.59 4.37 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 128.37 2.668 . . . . 0.0 111.067 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -36.09 -61.11 0.51 Allowed 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.419 2.687 . . . . 0.0 113.087 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -64.68 -51.83 60.47 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.804 1.642 . . . . 0.0 113.301 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.25 95.06 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.267 1.827 . . . . 0.0 112.126 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -51.59 -57.48 9.0 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 131.218 3.807 . . . . 0.0 107.967 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' B' ' 15' ' ' ILE . 58.4 mttp -41.0 -56.4 2.28 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 127.352 2.261 . . . . 0.0 111.122 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.44 -51.53 65.32 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 127.401 2.28 . . . . 0.0 113.528 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.79 -46.94 59.84 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 127.423 2.289 . . . . 0.0 111.061 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.274 1.0 OUTLIER -60.42 -59.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.381 1.936 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.721 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--N 1.372 1.547 0 C-N-CA 126.289 1.836 . . . . 0.0 115.859 -178.876 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -54.79 -52.75 61.68 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.925 2.09 . . . . 0.0 110.609 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -63.35 -53.53 51.07 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 125.877 1.671 . . . . 0.0 109.1 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -43.46 -57.55 3.03 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.258 2.623 . . . . 0.0 112.54 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -36.79 -61.23 0.56 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.939 2.896 . . . . 0.0 114.025 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -53.71 44.02 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 125.327 1.451 . . . . 0.0 111.683 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -52.4 -46.94 66.51 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 128.071 2.548 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -49.32 -60.23 3.01 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 131.395 3.878 . . . . 0.0 109.278 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -42.12 -55.56 3.19 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 127.083 2.153 . . . . 0.0 111.448 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.42 -53.91 44.89 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.218 1.807 . . . . 0.0 113.468 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.22 -47.97 35.34 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.315 2.646 . . . . 0.0 111.812 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.292 1.0 OUTLIER -61.49 -58.82 5.84 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 . . . . . 0 C--N 1.37 1.485 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -178.631 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -57.12 -44.95 83.79 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 125.584 1.553 . . . . 0.0 110.996 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -66.89 -57.39 7.06 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 126.736 2.014 . . . . 0.0 108.096 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -39.74 -56.23 1.77 Allowed 'General case' 0 C--N 1.379 1.851 0 C-N-CA 129.275 3.03 . . . . 0.0 113.202 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -34.66 -55.69 0.55 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.684 2.794 . . . . 0.0 114.838 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -73.38 -50.48 21.68 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 126.956 2.103 . . . . 0.0 111.539 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -55.84 -45.57 78.38 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 126.788 2.035 . . . . 0.0 111.401 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -46.77 -56.28 6.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 131.171 3.788 . . . . 0.0 108.968 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -43.22 -55.24 4.07 Favored 'General case' 0 C--N 1.374 1.653 0 C-N-CA 127.79 2.436 . . . . 0.0 111.549 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.83 -48.92 67.41 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.584 1.954 . . . . 0.0 112.958 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.94 45.66 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.053 2.541 . . . . 0.0 111.644 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.273 1.3 mt -57.19 -59.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--N 1.373 1.616 0 C-N-CA 126.904 2.082 . . . . 0.0 114.086 -179.395 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -58.38 -46.28 86.67 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.223 2.209 . . . . 0.0 110.548 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -67.52 -55.93 11.55 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.862 2.065 . . . . 0.0 108.166 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -42.62 -57.15 2.82 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 129.632 3.173 . . . . 0.0 112.12 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -39.59 -57.09 1.54 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 127.337 2.255 . . . . 0.0 113.585 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -64.87 -56.48 13.15 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 126.069 1.747 . . . . 0.0 111.629 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -53.81 -44.48 70.22 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.924 2.49 . . . . 0.0 111.924 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -54.1 -63.51 1.13 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 131.489 3.916 . . . . 0.0 109.515 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -43.51 -52.82 5.93 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.297 2.239 . . . . 0.0 111.335 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.78 -56.79 17.02 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.088 2.955 . . . . 0.0 112.171 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.6 -47.63 58.07 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 129.467 3.107 . . . . 0.0 112.046 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.27 2.0 mt -55.27 -57.84 6.17 Favored 'Isoleucine or valine' 0 C--N 1.378 1.826 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--N 1.372 1.556 0 C-N-CA 127.081 2.152 . . . . 0.0 113.724 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 117.974 -1.012 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -44.56 82.13 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.598 1.559 . . . . 0.0 109.881 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -65.6 -57.56 7.85 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 126.879 2.071 . . . . 0.0 108.215 174.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -43.28 -54.19 4.74 Favored 'General case' 0 C--N 1.381 1.959 0 C-N-CA 128.254 2.621 . . . . 0.0 112.068 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -43.55 -57.31 3.19 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.544 2.338 . . . . 0.0 112.113 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -61.4 -53.49 55.94 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.858 2.063 . . . . 0.0 112.077 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -58.78 -45.59 89.45 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 127.557 2.343 . . . . 0.0 111.751 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -50.03 -57.85 6.73 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 131.263 3.825 . . . . 0.0 108.945 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -42.56 -53.02 4.56 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.375 2.27 . . . . 0.0 111.141 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.72 -51.63 53.78 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.02 2.128 . . . . 0.0 112.607 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.13 25.69 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.63 2.772 . . . . 0.0 110.998 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.266 1.0 OUTLIER -60.42 -60.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.748 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.37 1.483 0 C-N-CA 126.575 1.95 . . . . 0.0 114.645 -178.245 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -56.89 -49.66 74.88 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 125.869 1.668 . . . . 0.0 111.571 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 ptm85 -68.65 -46.3 69.5 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 124.883 1.273 . . . . 0.0 110.312 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -47.93 -57.36 5.81 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 128.249 2.62 . . . . 0.0 111.515 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -38.66 -55.45 1.45 Allowed 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.294 2.638 . . . . 0.0 113.275 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 mtm-85 -67.63 -55.62 12.59 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 126.469 1.908 . . . . 0.0 111.322 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -52.29 -45.68 65.62 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.041 2.537 . . . . 0.0 112.091 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -49.71 -60.37 2.95 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 131.484 3.913 . . . . 0.0 109.374 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -42.4 -53.86 4.06 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.119 2.168 . . . . 0.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.65 -52.99 47.4 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.132 1.773 . . . . 0.0 113.131 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.39 42.29 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.791 2.437 . . . . 0.0 111.463 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.281 1.2 mt -58.65 -62.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.382 1.99 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--N 1.371 1.523 0 C-N-CA 127.241 2.217 . . . . 0.0 114.712 -177.856 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -56.58 -50.14 72.83 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 127.634 2.374 . . . . 0.0 111.793 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -70.25 -47.3 61.94 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.341 1.456 . . . . 0.0 110.357 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -45.98 -53.45 10.03 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 129.065 2.946 . . . . 0.0 111.735 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -31.35 -58.9 0.24 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 128.726 2.811 . . . . 0.0 114.519 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -70.44 -52.62 20.89 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.712 2.005 . . . . 0.0 111.713 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -52.24 -41.77 63.06 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.719 2.808 . . . . 0.0 111.936 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -52.33 -58.46 6.59 Favored 'General case' 0 C--N 1.371 1.505 1 C-N-CA 132.138 4.175 . . . . 0.0 108.895 175.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -41.35 -54.08 3.12 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 126.495 1.918 . . . . 0.0 111.437 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.57 -55.76 24.24 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 126.692 1.997 . . . . 0.0 113.348 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.48 56.95 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.98 2.112 . . . . 0.0 112.27 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.3 mt -59.49 -58.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 C--N 1.374 1.673 0 C-N-CA 127.354 2.262 . . . . 0.0 113.605 -178.342 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -55.36 -50.16 70.4 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.335 1.454 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 46.4 ttt85 -62.2 -56.35 19.58 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 126.861 2.064 . . . . 0.0 108.874 175.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -43.21 -58.45 2.5 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 129.132 2.973 . . . . 0.0 111.952 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -37.95 -57.22 1.06 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 127.9 2.48 . . . . 0.0 113.394 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.28 -55.72 12.75 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.82 2.048 . . . . 0.0 111.905 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 127.572 2.349 . . . . 0.0 111.533 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -55.44 -62.07 1.92 Allowed 'General case' 0 C--N 1.369 1.437 0 C-N-CA 131.506 3.923 . . . . 0.0 109.319 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -43.33 -52.8 5.63 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 126.831 2.052 . . . . 0.0 111.425 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.24 -56.19 23.4 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 129.129 2.972 . . . . 0.0 111.882 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.28 -47.77 55.24 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 129.661 3.185 . . . . 0.0 112.369 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.7 mt -54.86 -57.98 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.828 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 178.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--N 1.371 1.502 0 C-N-CA 126.803 2.041 . . . . 0.0 113.282 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -55.29 -44.35 75.64 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.228 1.811 . . . . 0.0 110.491 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -67.61 -60.22 2.72 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.593 2.357 . . . . 0.0 107.921 175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -39.88 -54.43 2.16 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 130.018 3.327 . . . . 0.0 112.903 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.57 -51.56 1.18 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.035 2.534 . . . . 0.0 114.22 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.18 -51.17 10.62 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.465 2.306 . . . . 0.0 111.134 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -44.45 66.06 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 128.451 2.701 . . . . 0.0 111.889 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -51.11 -57.92 7.44 Favored 'General case' 0 C--N 1.37 1.491 1 C-N-CA 132.261 4.225 . . . . 0.0 108.215 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' B' ' 15' ' ' ILE . 95.9 mttt -42.33 -56.92 2.78 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 127.433 2.293 . . . . 0.0 111.37 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.31 -51.77 66.35 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.771 2.028 . . . . 0.0 113.274 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.92 -48.99 51.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.086 2.154 . . . . 0.0 111.297 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.277 1.1 mt -58.5 -60.38 2.38 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 C-N-CA 124.332 1.053 . . . . 0.0 108.345 177.466 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--N 1.373 1.617 0 C-N-CA 127.068 2.147 . . . . 0.0 114.649 -177.901 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 118.378 -0.82 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -56.39 -48.65 76.46 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.267 1.827 . . . . 0.0 111.548 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -70.41 -45.04 66.7 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 125.109 1.363 . . . . 0.0 110.415 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -48.58 -56.29 8.82 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 128.353 2.661 . . . . 0.0 110.938 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -38.24 -55.44 1.32 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.583 2.753 . . . . 0.0 112.869 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -65.04 -57.69 8.02 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.227 2.211 . . . . 0.0 111.645 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -54.98 -43.38 73.49 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 128.445 2.698 . . . . 0.0 112.462 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -51.99 -59.01 4.84 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 131.274 3.829 . . . . 0.0 108.855 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -41.91 -55.17 3.2 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 127.098 2.159 . . . . 0.0 111.478 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.91 -52.42 59.95 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.196 1.799 . . . . 0.0 113.806 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.91 -46.68 60.84 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 127.534 2.334 . . . . 0.0 111.888 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.282 1.0 OUTLIER -60.29 -58.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.369 1.453 0 C-N-CA 125.958 1.703 . . . . 0.0 115.46 -179.138 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -53.05 -50.84 63.49 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.363 1.865 . . . . 0.0 112.027 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -69.37 -45.32 69.63 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 125.275 1.43 . . . . 0.0 110.647 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -48.65 -54.03 16.31 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 128.239 2.616 . . . . 0.0 110.751 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -39.03 -53.14 1.81 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 128.443 2.697 . . . . 0.0 112.875 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -69.36 -54.61 13.64 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 127.31 2.244 . . . . 0.0 111.534 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -53.74 -44.42 69.93 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 128.801 2.84 . . . . 0.0 112.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -51.88 -56.93 11.1 Favored 'General case' 0 C--N 1.37 1.475 1 C-N-CA 131.729 4.011 . . . . 0.0 108.528 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -42.04 -54.07 3.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 127.14 2.176 . . . . 0.0 111.384 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.05 -53.54 48.31 Favored 'General case' 0 C--N 1.368 1.402 0 C-N-CA 126.456 1.902 . . . . 0.0 113.321 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.41 -46.4 56.24 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.443 2.297 . . . . 0.0 112.008 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -61.08 -58.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 176.736 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--N 1.37 1.468 0 C-N-CA 126.041 1.737 . . . . 0.0 114.372 -178.461 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.68 -42.93 71.99 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.196 1.798 . . . . 0.0 111.912 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -70.21 -57.87 4.43 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.733 2.413 . . . . 0.0 108.196 174.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -41.99 -55.38 3.17 Favored 'General case' 0 C--N 1.378 1.809 0 C-N-CA 129.867 3.267 . . . . 0.0 112.791 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -37.41 -51.28 1.11 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 128.547 2.739 . . . . 0.0 113.744 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 68.2 mtm-85 -75.39 -54.02 7.75 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.526 1.93 . . . . 0.0 111.348 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -51.57 -44.9 62.92 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 128.131 2.573 . . . . 0.0 112.306 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -50.81 -58.85 4.93 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 131.582 3.953 . . . . 0.0 109.003 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -42.63 -53.84 4.26 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 127.31 2.244 . . . . 0.0 111.577 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.37 -53.62 45.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.377 1.871 . . . . 0.0 113.287 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.0 53.89 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 127.51 2.324 . . . . 0.0 111.77 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.283 1.0 OUTLIER -60.45 -58.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.378 1.827 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 176.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--N 1.369 1.45 0 C-N-CA 126.141 1.776 . . . . 0.0 114.618 -178.266 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 117.86 -1.066 . . . . 0.0 113.537 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -57.07 -52.23 66.11 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 125.112 1.365 . . . . 0.0 110.741 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -63.28 -47.09 83.78 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.308 1.443 . . . . 0.0 110.909 175.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -50.13 -55.75 13.74 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 128.007 2.523 . . . . 0.0 111.519 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -41.49 -56.74 2.44 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.784 2.434 . . . . 0.0 113.178 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -61.68 -55.55 29.22 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.858 2.063 . . . . 0.0 111.225 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -54.34 -47.22 72.79 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.183 2.593 . . . . 0.0 111.912 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -49.52 -59.03 4.12 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.262 3.825 . . . . 0.0 108.344 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' B' ' 15' ' ' ILE . 65.9 mttm -40.82 -56.01 2.31 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 127.254 2.222 . . . . 0.0 111.881 177.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.81 -53.76 45.79 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.292 1.837 . . . . 0.0 113.084 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.68 -47.96 40.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.351 2.26 . . . . 0.0 111.682 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.278 0.9 OUTLIER -60.83 -59.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.54 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.373 1.592 0 C-N-CA 127.404 2.282 . . . . 0.0 114.117 -177.134 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.66 -47.77 79.08 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.117 1.767 . . . . 0.0 111.741 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 47.9 ttt85 -66.29 -55.26 16.9 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 126.265 1.826 . . . . 0.0 108.623 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -44.77 -58.55 3.02 Favored 'General case' 0 C--N 1.376 1.733 0 C-N-CA 129.303 3.041 . . . . 0.0 112.583 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -38.31 -57.87 1.06 Allowed 'General case' 0 C--N 1.368 1.402 0 C-N-CA 128.186 2.594 . . . . 0.0 113.235 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -69.33 -52.36 28.06 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 125.622 1.569 . . . . 0.0 112.16 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -55.29 -44.35 75.63 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 126.526 1.93 . . . . 0.0 112.261 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -49.66 -57.91 6.3 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 131.665 3.986 . . . . 0.0 108.975 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -42.76 -55.19 3.74 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.159 2.184 . . . . 0.0 111.542 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.474 1.91 . . . . 0.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.91 -47.46 64.63 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.019 2.528 . . . . 0.0 112.058 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.1 mt -60.08 -60.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.369 1.449 0 C-N-CA 126.343 1.857 . . . . 0.0 114.533 -178.864 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -55.26 -48.75 73.55 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 126.894 2.078 . . . . 0.0 112.341 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -70.61 -49.88 43.02 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.562 1.545 . . . . 0.0 110.405 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -42.87 -52.83 4.94 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 129.954 3.302 . . . . 0.0 112.446 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -31.52 -55.06 0.26 Allowed 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.289 3.035 . . . . 0.0 115.043 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -51.81 12.3 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 126.911 2.084 . . . . 0.0 111.83 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -52.95 -43.61 66.46 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.878 2.471 . . . . 0.0 111.542 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -51.26 -57.57 8.49 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 131.388 3.875 . . . . 0.0 108.738 175.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -41.08 -56.04 2.42 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 127.152 2.181 . . . . 0.0 111.808 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.94 -52.25 63.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 127.319 2.248 . . . . 0.0 113.75 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.87 -48.61 66.99 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.595 1.958 . . . . 0.0 111.134 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.278 1.4 mt -58.02 -61.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.952 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 . . . . . 0 C--N 1.373 1.599 0 C-N-CA 127.745 2.418 . . . . 0.0 113.847 -177.753 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . 0.275 33.0 p . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 117.332 -1.318 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -62.66 -55.1 30.02 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-N 121.03 1.741 . . . . 0.0 111.088 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -60.7 -46.17 91.39 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.701 1.6 . . . . 0.0 110.516 176.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -49.06 -57.65 6.23 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 128.658 2.783 . . . . 0.0 110.984 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -32.17 -55.13 0.32 Allowed 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.89 2.476 . . . . 0.0 114.905 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -76.36 -53.12 8.62 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 126.077 1.751 . . . . 0.0 111.139 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -50.33 -42.21 52.5 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.172 2.589 . . . . 0.0 112.099 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -52.31 -59.08 4.84 Favored 'General case' 0 C--N 1.371 1.5 1 C-N-CA 132.276 4.23 . . . . 0.0 109.284 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -42.44 -53.8 4.12 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 127.186 2.194 . . . . 0.0 111.492 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.93 -52.34 56.94 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 126.714 2.005 . . . . 0.0 113.46 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.88 -46.35 64.46 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.632 2.373 . . . . 0.0 112.392 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.28 1.1 mt -60.79 -57.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.377 1.77 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--N 1.37 1.482 0 C-N-CA 126.532 1.933 . . . . 0.0 114.869 -179.281 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 117.468 -1.253 . . . . 0.0 113.86 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -51.22 -51.07 57.41 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.921 1.688 . . . . 0.0 111.092 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -62.55 -58.34 7.91 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 128.013 2.525 . . . . 0.0 109.054 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -45.56 -55.27 6.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 128.899 2.879 . . . . 0.0 113.24 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -38.02 -60.77 0.72 Allowed 'General case' 0 C--N 1.369 1.423 0 C-N-CA 128.902 2.881 . . . . 0.0 113.048 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.271 29.1 ptt-85 -66.59 -52.58 43.77 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 125.132 1.373 . . . . 0.0 112.687 177.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -51.64 -47.16 63.83 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 128.078 2.551 . . . . 0.0 111.736 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -50.19 -60.56 2.85 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 131.504 3.922 . . . . 0.0 108.933 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -42.88 -55.72 3.58 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 126.394 1.878 . . . . 0.0 111.803 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.38 -53.21 58.29 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.063 1.745 . . . . 0.0 113.601 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.33 -48.36 46.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 127.831 2.452 . . . . 0.0 111.009 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.272 1.6 mt -58.2 -60.64 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.379 1.891 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.37 1.49 0 C-N-CA 126.806 2.043 . . . . 0.0 115.89 -178.795 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.33 -46.9 82.79 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 125.47 1.508 . . . . 0.0 111.731 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -67.03 -51.87 49.41 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 125.99 1.716 . . . . 0.0 108.731 174.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -43.35 -58.09 2.72 Favored 'General case' 0 C--N 1.38 1.911 0 C-N-CA 128.701 2.8 . . . . 0.0 110.904 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -35.55 -56.99 0.64 Allowed 'General case' 0 C--N 1.371 1.521 0 C-N-CA 128.218 2.607 . . . . 0.0 113.567 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -63.89 -57.25 10.37 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.69 2.396 . . . . 0.0 112.088 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -59.24 -44.04 92.37 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 128.938 2.895 . . . . 0.0 112.907 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.13 -57.27 8.07 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 131.29 3.836 . . . . 0.0 108.675 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -40.77 -56.88 2.07 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 128.094 2.558 . . . . 0.0 111.527 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.15 -52.34 59.53 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.852 2.061 . . . . 0.0 113.421 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.23 63.97 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 127.053 2.141 . . . . 0.0 112.139 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.3 0.8 OUTLIER -62.55 -57.69 10.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 177.056 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.37 1.459 0 C-N-CA 125.95 1.7 . . . . 0.0 114.637 -177.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.591 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.981 1 C3'-C2'-C1' 105.382 4.313 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.591 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.81 0 O5'-C5'-C4' 114.827 3.305 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.445 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.404 0 N19-C1'-C2' 119.202 3.626 . 0.079 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.463 " H2'" ' C6 ' ' A' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.301 3 O4'-C1'-N19 115.433 7.233 OUTLIER-EPSILON 0.093 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.463 ' C6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.958 2 P-O3'-C3' 133.964 11.886 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.248 1 P-O3'-C3' 124.971 4.393 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.412 1 P-O3'-C3' 126.108 5.34 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.642 0 C4'-C3'-C2' 106.687 3.987 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 P-O3'-C3' 127.731 6.693 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 0 O4'-C1'-N19 111.665 3.465 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.231 0 O4'-C1'-N19 111.3 3.1 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.79 0 C5'-C4'-O4' 113.777 3.269 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.933 1 O4'-C1'-N19 112.284 4.084 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.484 0 N19-C1'-C2' 119.306 3.691 . 0.664 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.005 1 O4'-C1'-N19 113.598 5.398 . 0.501 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.06 88.6 7.63 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 125.697 1.599 . . . . 0.0 112.534 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -99.14 -64.3 1.05 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.285 2.234 . . . . 0.0 106.07 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.0 p -64.56 -41.98 95.97 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 127.835 2.454 . . . . 0.0 114.866 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.45 -49.74 73.73 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.777 1.631 . . . . 0.0 111.338 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -65.69 -54.41 27.82 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.076 2.15 . . . . 0.0 108.602 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -42.91 -58.56 2.34 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 128.686 2.794 . . . . 0.0 112.682 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -32.69 -60.68 0.3 Allowed 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.899 2.879 . . . . 0.0 114.573 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -72.63 -48.32 40.47 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 126.584 1.954 . . . . 0.0 113.129 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -54.83 -44.63 74.07 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.322 2.249 . . . . 0.0 110.839 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -49.62 -60.87 2.48 Favored 'General case' 0 C--N 1.373 1.589 1 C-N-CA 132.219 4.208 . . . . 0.0 109.737 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -41.9 -54.03 3.58 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.129 2.172 . . . . 0.0 111.404 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.24 -52.28 55.52 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.588 2.355 . . . . 0.0 113.295 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.14 -48.31 44.89 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 128.026 2.531 . . . . 0.0 110.851 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.0 OUTLIER -60.99 -60.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.379 1.861 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 176.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -53.66 -13.26 0.63 Allowed 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.339 2.256 . . . . 0.0 116.035 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -77.93 -54.89 5.79 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 126.698 1.999 . . . . 0.0 107.031 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -58.88 -49.11 79.0 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 129.244 3.017 . . . . 0.0 112.266 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.262 1.727 0 C-N-CA 130.27 3.428 . . . . 0.0 112.582 179.64 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.536 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.11 2 C3'-C2'-C1' 106.105 5.116 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.536 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.563 4.049 0 P-O3'-C3' 123.852 3.46 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.465 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.702 0 O4'-C1'-N19 111.897 3.697 . 0.365 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.465 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.414 1 O4'-C1'-N19 112.504 4.304 . 0.343 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.425 H5'' HH22 ' B' ' 6' ' ' ARG . . . . . . . . 0 P--O3' 1.575 -2.686 2 P-O3'-C3' 127.275 6.313 . 0.232 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.204 1 P-O3'-C3' 126.68 5.816 . 0.363 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.682 1 P-O3'-C3' 126.904 6.003 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 C3'-C2'-C1' 104.428 3.253 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 1 P-O3'-C3' 126.049 5.291 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.139 0 O4'-C1'-N19 112.06 3.86 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.271 0 O4'-C1'-N19 111.615 3.415 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.941 0 C5'-C4'-O4' 113.902 3.359 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.852 1 O4'-C1'-N19 112.366 4.166 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.677 1 O4'-C1'-N19 112.207 4.007 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.043 1 O4'-C1'-N19 113.603 5.403 . 0.914 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.809 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.28 88.54 7.24 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.619 1.567 . . . . 0.0 109.33 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -95.01 -64.93 1.01 Allowed 'General case' 0 C--N 1.361 1.068 0 C-N-CA 127.008 2.123 . . . . 0.0 107.51 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.0 p -62.99 -44.26 96.53 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.725 2.01 . . . . 0.0 114.598 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -56.62 -49.22 75.6 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.762 2.025 . . . . 0.0 110.88 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.425 HH22 H5'' ' A' ' 8' ' ' ' U' . 39.1 ttt85 -66.28 -55.02 18.09 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.621 1.969 . . . . 0.0 108.892 175.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -43.58 -56.78 3.49 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 128.953 2.901 . . . . 0.0 112.272 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -38.68 -56.83 1.27 Allowed 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.177 2.591 . . . . 0.0 113.465 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -68.74 -53.38 22.28 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.221 2.209 . . . . 0.0 111.652 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -56.22 -45.47 79.92 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.888 2.075 . . . . 0.0 112.047 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -47.58 -58.43 4.26 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 131.463 3.905 . . . . 0.0 108.824 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -42.45 -56.14 3.15 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 127.381 2.272 . . . . 0.0 111.845 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.18 -49.96 65.54 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.493 1.917 . . . . 0.0 113.441 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.457 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -50.53 -48.52 57.12 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 127.89 2.476 . . . . 0.0 111.153 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.4 mt -57.79 -62.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -44.03 -45.56 7.99 Favored 'General case' 0 C--N 1.372 1.551 0 C-N-CA 127.178 2.191 . . . . 0.0 114.394 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.457 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 84.2 mtm180 -55.52 -59.94 4.13 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 127.928 2.491 . . . . 0.0 111.284 177.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -64.99 -54.08 36.04 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 128.821 2.848 . . . . 0.0 113.917 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.261 1.688 0 C-N-CA 130.989 3.716 . . . . 0.0 109.562 -179.16 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.591 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.058 1 O4'-C1'-N19 112.349 4.149 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.591 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.563 4.081 0 C5'-C4'-O4' 114.055 3.468 . 0.727 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.464 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.367 1 N19-C1'-C2' 120.036 4.148 . 0.346 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.464 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.302 1 O4'-C1'-N19 113.006 4.806 . 0.364 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.754 2 P-O3'-C3' 126.418 5.598 . 0.139 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.803 1 P-O5'-C5' 129.68 5.488 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.944 1 P-O3'-C3' 127.379 6.399 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.572 -2.077 0 O4'-C1'-N19 111.953 3.753 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.005 2 P-O3'-C3' 129.152 7.877 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.343 1 O4'-C1'-N19 112.555 4.355 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.378 0 O5'-C5'-C4' 114.097 2.783 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.554 0 P-O3'-C3' 122.885 2.654 . 0.499 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.907 1 O4'-C1'-N19 112.639 4.439 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.753 1 O4'-C1'-N19 112.353 4.153 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 1 O4'-C1'-N19 113.714 5.514 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.38 81.94 4.44 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 125.691 1.596 . . . . 0.0 111.306 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -98.04 -57.9 2.11 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.465 2.306 . . . . 0.0 106.861 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.3 p -66.28 -39.23 89.26 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.35 2.26 . . . . 0.0 113.846 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -57.15 -52.05 66.87 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 125.695 1.598 . . . . 0.0 111.726 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.435 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 4.1 ptm85 -64.7 -45.71 85.43 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.495 1.118 . . . . 0.0 110.22 175.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -48.3 -58.59 4.37 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 128.37 2.668 . . . . 0.0 111.067 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -36.09 -61.11 0.51 Allowed 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.419 2.687 . . . . 0.0 113.087 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -64.68 -51.83 60.47 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.804 1.642 . . . . 0.0 113.301 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.25 95.06 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.267 1.827 . . . . 0.0 112.126 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -51.59 -57.48 9.0 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 131.218 3.807 . . . . 0.0 107.967 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' B' ' 15' ' ' ILE . 58.4 mttp -41.0 -56.4 2.28 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 127.352 2.261 . . . . 0.0 111.122 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.44 -51.53 65.32 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 127.401 2.28 . . . . 0.0 113.528 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.79 -46.94 59.84 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 127.423 2.289 . . . . 0.0 111.061 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.274 1.0 OUTLIER -60.42 -59.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.381 1.936 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.721 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -54.37 -12.69 0.72 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 126.289 1.836 . . . . 0.0 115.859 -178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -73.71 -56.28 5.19 Favored 'General case' 0 C--N 1.376 1.718 0 C-N-CA 126.495 1.918 . . . . 0.0 106.551 174.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.84 -49.46 77.64 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 129.841 3.256 . . . . 0.0 112.602 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 C--O 1.26 1.611 0 C-N-CA 129.974 3.31 . . . . 0.0 112.699 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.589 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.13 1 O4'-C1'-N19 112.331 4.131 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.589 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.608 0 C5'-C4'-O4' 113.86 3.329 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.457 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.298 0 N19-C1'-C2' 119.252 3.658 . 0.396 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.487 " H2'" ' C6 ' ' A' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.309 2 O4'-C1'-N19 115.206 7.006 OUTLIER-EPSILON 0.383 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.487 ' C6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.084 2 P-O3'-C3' 134.786 12.572 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.15 1 P-O3'-C3' 124.704 4.17 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.687 2 P-O3'-C3' 125.05 4.458 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . 0.403 H5'' ' HB2' ' B' ' 14' ' ' ALA . . . . . . . . 0 C5'--C4' 1.55 3.114 1 C4'-C3'-C2' 107.032 4.332 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.707 1 P-O3'-C3' 130.347 8.872 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.955 1 O4'-C1'-N19 112.418 4.218 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.416 0 O4'-C1'-N19 111.322 3.122 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.867 0 C5'-C4'-O4' 113.824 3.303 . 0.548 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.928 1 O4'-C1'-N19 112.548 4.348 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.623 1 O4'-C1'-N19 112.613 4.413 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.121 1 O4'-C1'-N19 113.659 5.459 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASN . . . . . 0.435 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 120.702 0.287 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.33 86.86 7.35 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.367 1.467 . . . . 0.0 109.225 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -95.9 -61.73 1.4 Allowed 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.817 2.447 . . . . 0.0 107.453 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p -64.05 -42.68 96.95 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.176 2.59 . . . . 0.0 113.981 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -54.79 -52.75 61.68 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.925 2.09 . . . . 0.0 110.609 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -63.35 -53.53 51.07 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 125.877 1.671 . . . . 0.0 109.1 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -43.46 -57.55 3.03 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.258 2.623 . . . . 0.0 112.54 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -36.79 -61.23 0.56 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.939 2.896 . . . . 0.0 114.025 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -53.71 44.02 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 125.327 1.451 . . . . 0.0 111.683 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -52.4 -46.94 66.51 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 128.071 2.548 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -49.32 -60.23 3.01 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 131.395 3.878 . . . . 0.0 109.278 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -42.12 -55.56 3.19 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 127.083 2.153 . . . . 0.0 111.448 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.42 -53.91 44.89 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.218 1.807 . . . . 0.0 113.468 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.403 ' HB2' H5'' ' A' ' 11' ' ' ' C' . . . -48.22 -47.97 35.34 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.315 2.646 . . . . 0.0 111.812 177.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.292 1.0 OUTLIER -61.49 -58.82 5.84 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -55.85 -10.88 0.84 Allowed 'General case' 0 C--N 1.37 1.485 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -75.47 -55.67 5.45 Favored 'General case' 0 C--N 1.375 1.695 0 C-N-CA 126.948 2.099 . . . . 0.0 106.349 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -58.77 -48.63 80.56 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 129.968 3.307 . . . . 0.0 112.536 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.261 1.683 0 C-N-CA 129.92 3.288 . . . . 0.0 112.367 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.541 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.979 2 C3'-C2'-C1' 106.081 5.09 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.541 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.88 0 C5'-C4'-O4' 113.94 3.385 . 0.254 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.47 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.085 0 N19-C1'-C2' 119.071 3.544 . 0.574 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.47 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.205 2 O4'-C1'-N19 115.226 7.026 OUTLIER-EPSILON 0.393 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.437 ' H6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.731 2 P-O3'-C3' 134.668 12.473 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.966 1 P-O5'-C5' 128.449 4.718 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.537 1 P-O3'-C3' 128.175 7.062 . 0.075 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.422 2 O4'-C1'-N19 112.62 4.42 . 0.016 4p . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.791 2 O4'-C1'-N19 112.564 4.364 . 0.014 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.995 0 O4'-C1'-N19 111.833 3.633 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.304 0 O4'-C1'-N19 111.844 3.644 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.972 0 C5'-C4'-O4' 113.887 3.348 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.014 0 O4'-C1'-N19 111.845 3.645 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.433 0 N19-C1'-C2' 119.243 3.652 . 0.773 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.051 1 O4'-C1'-N19 113.469 5.269 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASN . . . . . 0.409 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 1.3 t30 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.35 87.22 7.2 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 124.645 1.178 . . . . 0.0 109.003 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -97.46 -62.73 1.21 Allowed 'General case' 0 C--N 1.36 1.063 0 C-N-CA 127.732 2.413 . . . . 0.0 107.583 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -68.01 -43.21 79.35 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.393 2.277 . . . . 0.0 113.764 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -57.12 -44.95 83.79 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 125.584 1.553 . . . . 0.0 110.996 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -66.89 -57.39 7.06 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 126.736 2.014 . . . . 0.0 108.096 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -39.74 -56.23 1.77 Allowed 'General case' 0 C--N 1.379 1.851 0 C-N-CA 129.275 3.03 . . . . 0.0 113.202 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -34.66 -55.69 0.55 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.684 2.794 . . . . 0.0 114.838 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -73.38 -50.48 21.68 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 126.956 2.103 . . . . 0.0 111.539 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -55.84 -45.57 78.38 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 126.788 2.035 . . . . 0.0 111.401 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -46.77 -56.28 6.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 131.171 3.788 . . . . 0.0 108.968 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -43.22 -55.24 4.07 Favored 'General case' 0 C--N 1.374 1.653 0 C-N-CA 127.79 2.436 . . . . 0.0 111.549 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.83 -48.92 67.41 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.584 1.954 . . . . 0.0 112.958 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.484 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -49.28 -48.94 45.66 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.053 2.541 . . . . 0.0 111.644 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.273 1.3 mt -57.19 -59.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.402 ' HA ' ' OG1' ' B' ' 19' ' ' THR . 7.6 tp10 -48.93 -34.62 13.21 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 126.904 2.082 . . . . 0.0 114.086 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.484 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 87.0 mtm180 -61.35 -60.01 4.39 Favored 'General case' 0 C--N 1.379 1.885 0 C-N-CA 127.242 2.217 . . . . 0.0 110.083 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -54.77 -54.12 46.26 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 129.165 2.986 . . . . 0.0 112.287 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.402 ' OG1' ' HA ' ' B' ' 16' ' ' GLU . 8.4 p . . . . . 0 C--O 1.261 1.677 0 C-N-CA 130.486 3.514 . . . . 0.0 110.041 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.538 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.078 1 O4'-C1'-N19 112.342 4.142 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.577 ' H41' ' HA ' ' B' ' 1' ' ' ASN . . . . . . . . 0 C5'--C4' 1.557 3.635 0 O5'-C5'-C4' 114.639 3.171 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.46 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.565 0 N19-C1'-C2' 118.956 3.473 . 0.497 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.507 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.42 1 O4'-C1'-N19 113.919 5.719 . 0.434 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.422 ' H6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.058 2 C5'-C4'-O4' 115.137 4.241 . 0.81 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.158 1 P-O3'-C3' 124.792 4.244 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.025 1 P-O3'-C3' 128.154 7.045 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.295 0 C3'-C2'-C1' 104.668 3.52 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.385 1 P-O3'-C3' 125.97 5.225 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.995 0 O4'-C1'-N19 111.516 3.316 . 0.762 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.248 0 O5'-C5'-C4' 114.058 2.756 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.51 0 C5'-C4'-C3' 111.997 -2.336 . 0.611 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 3.023 0 O4'-C1'-N19 111.919 3.719 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.67 0 N19-C1'-C2' 119.266 3.666 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.105 1 O4'-C1'-N19 113.611 5.411 . 0.876 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASN . . . . . 0.577 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 6.1 t-20 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.48 92.88 9.35 Favored 'General case' 0 C--N 1.367 1.356 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -92.34 -68.09 0.82 Allowed 'General case' 0 C--N 1.362 1.127 0 C-N-CA 127.265 2.226 . . . . 0.0 108.502 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.6 p -65.13 -41.98 94.29 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 126.863 2.065 . . . . 0.0 113.949 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -58.38 -46.28 86.67 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.223 2.209 . . . . 0.0 110.548 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.507 HH12 " H3'" ' A' ' 7' ' ' ' C' . 42.2 ttt85 -67.52 -55.93 11.55 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.862 2.065 . . . . 0.0 108.166 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -42.62 -57.15 2.82 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 129.632 3.173 . . . . 0.0 112.12 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -39.59 -57.09 1.54 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 127.337 2.255 . . . . 0.0 113.585 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -64.87 -56.48 13.15 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 126.069 1.747 . . . . 0.0 111.629 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -53.81 -44.48 70.22 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.924 2.49 . . . . 0.0 111.924 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -54.1 -63.51 1.13 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 131.489 3.916 . . . . 0.0 109.515 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -43.51 -52.82 5.93 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.297 2.239 . . . . 0.0 111.335 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.78 -56.79 17.02 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.088 2.955 . . . . 0.0 112.171 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.456 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -50.6 -47.63 58.07 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 129.467 3.107 . . . . 0.0 112.046 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.27 2.0 mt -55.27 -57.84 6.17 Favored 'Isoleucine or valine' 0 C--N 1.378 1.826 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -50.08 -38.5 38.69 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 127.081 2.152 . . . . 0.0 113.724 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.456 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 52.2 mtm180 -59.78 -56.62 19.54 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.906 2.082 . . . . 0.0 110.518 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -57.66 -54.57 45.38 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 128.517 2.727 . . . . 0.0 112.226 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.261 1.659 0 C-N-CA 130.457 3.503 . . . . 0.0 110.343 178.363 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.556 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.017 0 O4'-C1'-N19 112.195 3.995 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.556 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.822 0 O5'-C5'-C4' 114.822 3.302 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.452 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.643 0 N19-C1'-C2' 119.065 3.541 . 0.497 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.543 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.418 3 O4'-C1'-N19 113.924 5.724 . 0.362 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.191 2 P-O3'-C3' 124.997 4.414 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.473 " H2'" " H2'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.553 3.317 1 P-O3'-C3' 127.101 6.167 . 0.78 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.473 " H2'" " H2'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.006 2 P-O3'-C3' 126.053 5.294 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.402 2 O4'-C1'-N19 112.862 4.662 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.822 0 O4'-C1'-N19 111.554 3.354 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.962 0 O4'-C1'-N19 111.755 3.555 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.154 0 O5'-C5'-C4' 114.164 2.832 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.759 0 C5'-C4'-O4' 113.842 3.316 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.912 1 O4'-C1'-N19 112.471 4.271 . 0.903 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.755 0 O4'-C1'-N19 111.884 3.684 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.204 1 O4'-C1'-N19 113.632 5.432 . 0.867 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASN . . . . . 0.517 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 7.4 t30 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 120.738 0.304 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.88 91.59 8.71 Favored 'General case' 0 C--N 1.37 1.482 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -63.21 1.18 Allowed 'General case' 0 C--N 1.361 1.091 0 C-N-CA 127.365 2.266 . . . . 0.0 109.692 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p -72.93 -41.38 64.59 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 126.822 2.049 . . . . 0.0 112.704 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -44.56 82.13 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.598 1.559 . . . . 0.0 109.881 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.543 HH12 " H3'" ' A' ' 7' ' ' ' C' . 41.6 ttt85 -65.6 -57.56 7.85 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 126.879 2.071 . . . . 0.0 108.215 174.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -43.28 -54.19 4.74 Favored 'General case' 0 C--N 1.381 1.959 0 C-N-CA 128.254 2.621 . . . . 0.0 112.068 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -43.55 -57.31 3.19 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.544 2.338 . . . . 0.0 112.113 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -61.4 -53.49 55.94 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.858 2.063 . . . . 0.0 112.077 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -58.78 -45.59 89.45 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 127.557 2.343 . . . . 0.0 111.751 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -50.03 -57.85 6.73 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 131.263 3.825 . . . . 0.0 108.945 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -42.56 -53.02 4.56 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.375 2.27 . . . . 0.0 111.141 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.72 -51.63 53.78 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.02 2.128 . . . . 0.0 112.607 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.13 25.69 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.63 2.772 . . . . 0.0 110.998 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.266 1.0 OUTLIER -60.42 -60.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.748 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -50.8 -33.87 25.24 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 126.575 1.95 . . . . 0.0 114.645 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -56.36 -48.68 76.32 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 126.913 2.085 . . . . 0.0 109.14 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.82 -48.59 65.82 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 129.032 2.933 . . . . 0.0 111.68 176.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.262 1.723 0 C-N-CA 129.008 2.923 . . . . 0.0 111.846 -179.615 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.575 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.053 2 C3'-C2'-C1' 105.689 4.655 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.589 ' H41' ' HA ' ' B' ' 1' ' ' ASN . . . . . . . . 0 C5'--C4' 1.558 3.72 0 C5'-C4'-O4' 113.781 3.272 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.465 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.162 1 N19-C1'-C2' 119.856 4.035 . 0.333 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.465 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.369 1 O4'-C1'-N19 114.248 6.048 . 0.428 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.439 ' H6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.15 0 C5'-C4'-O4' 114.572 3.837 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 1 P-O3'-C3' 127.434 6.445 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.766 2 P-O3'-C3' 125.354 4.711 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.515 1 C4'-C3'-C2' 107.28 4.58 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.536 1 P-O3'-C3' 128.561 7.384 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.892 0 O4'-C1'-N19 111.955 3.755 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.285 0 O4'-C1'-N19 111.391 3.191 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.705 0 C5'-C4'-O4' 114.029 3.449 . 0.498 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.896 1 O4'-C1'-N19 112.97 4.77 . 0.917 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.698 0 O4'-C1'-N19 112.061 3.861 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.222 1 O4'-C1'-N19 113.522 5.322 . 0.88 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASN . . . . . 0.589 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 14.7 t30 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.23 88.02 7.36 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -95.71 -60.79 1.58 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.781 2.432 . . . . 0.0 108.307 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.4 p -69.23 -38.59 78.59 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 127.331 2.252 . . . . 0.0 113.473 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -56.89 -49.66 74.88 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 125.869 1.668 . . . . 0.0 111.571 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 ptm85 -68.65 -46.3 69.5 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 124.883 1.273 . . . . 0.0 110.312 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -47.93 -57.36 5.81 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 128.249 2.62 . . . . 0.0 111.515 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -38.66 -55.45 1.45 Allowed 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.294 2.638 . . . . 0.0 113.275 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 mtm-85 -67.63 -55.62 12.59 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 126.469 1.908 . . . . 0.0 111.322 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -52.29 -45.68 65.62 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.041 2.537 . . . . 0.0 112.091 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -49.71 -60.37 2.95 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 131.484 3.913 . . . . 0.0 109.374 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -42.4 -53.86 4.06 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.119 2.168 . . . . 0.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.65 -52.99 47.4 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.132 1.773 . . . . 0.0 113.131 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.39 42.29 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.791 2.437 . . . . 0.0 111.463 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.281 1.2 mt -58.65 -62.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.382 1.99 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -44.38 -46.35 9.37 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 127.241 2.217 . . . . 0.0 114.712 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -54.74 -58.94 5.57 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 128.117 2.567 . . . . 0.0 111.48 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.79 -54.19 30.34 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 129.118 2.967 . . . . 0.0 113.569 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.262 1.725 0 C-N-CA 131.106 3.762 . . . . 0.0 110.004 -178.889 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.58 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.085 1 O4'-C1'-N19 112.216 4.016 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.58 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.631 0 C5'-C4'-O4' 113.895 3.353 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.464 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.542 2.439 0 N19-C1'-C2' 119.413 3.758 . 0.605 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.464 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.394 1 O4'-C1'-N19 113.03 4.83 . 0.405 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.925 2 P-O3'-C3' 127.036 6.113 . 0.21 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.396 1 P-O3'-C3' 127.927 6.855 . 0.266 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 3 P-O3'-C3' 125.765 5.054 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.149 1 O4'-C1'-N19 112.339 4.139 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.017 2 P-O3'-C3' 131.333 9.694 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.845 1 O4'-C1'-N19 112.297 4.097 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.143 0 O4'-C1'-N19 111.4 3.2 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . 0.4 " H2'" ' C6 ' ' A' ' 16' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.794 0 C5'-C4'-O4' 114.006 3.433 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . 0.4 ' C6 ' " H2'" ' A' ' 15' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.448 2.852 1 O4'-C1'-N19 112.484 4.284 . 0.896 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.654 0 O4'-C1'-N19 112.122 3.922 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.046 1 O4'-C1'-N19 113.607 5.407 . 0.897 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASN . . . . . 0.549 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 4.2 t30 . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.85 85.87 6.84 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -97.03 -59.08 1.87 Allowed 'General case' 0 C--N 1.362 1.111 0 C-N-CA 128.148 2.579 . . . . 0.0 108.229 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p -63.83 -41.65 97.8 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 128.309 2.644 . . . . 0.0 114.007 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -56.58 -50.14 72.83 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 127.634 2.374 . . . . 0.0 111.793 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -70.25 -47.3 61.94 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.341 1.456 . . . . 0.0 110.357 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -45.98 -53.45 10.03 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 129.065 2.946 . . . . 0.0 111.735 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -31.35 -58.9 0.24 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 128.726 2.811 . . . . 0.0 114.519 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -70.44 -52.62 20.89 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.712 2.005 . . . . 0.0 111.713 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -52.24 -41.77 63.06 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.719 2.808 . . . . 0.0 111.936 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -52.33 -58.46 6.59 Favored 'General case' 0 C--N 1.371 1.505 1 C-N-CA 132.138 4.175 . . . . 0.0 108.895 175.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -41.35 -54.08 3.12 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 126.495 1.918 . . . . 0.0 111.437 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.57 -55.76 24.24 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 126.692 1.997 . . . . 0.0 113.348 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.48 56.95 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.98 2.112 . . . . 0.0 112.27 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.3 mt -59.49 -58.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -48.18 -35.99 12.77 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 127.354 2.262 . . . . 0.0 113.605 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -57.89 -59.88 4.56 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 127.702 2.401 . . . . 0.0 110.273 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.55 -56.26 23.49 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 129.645 3.178 . . . . 0.0 112.331 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.261 1.673 0 C-N-CA 130.577 3.551 . . . . 0.0 110.475 178.408 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.587 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.09 0 O4'-C1'-N19 112.03 3.83 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.587 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.019 0 O5'-C5'-C4' 115.074 3.482 . 0.616 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.467 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.658 0 N19-C1'-C2' 119.356 3.723 . 0.515 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.519 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.271 3 O4'-C1'-N19 114.095 5.895 . 0.41 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.119 2 P-O3'-C3' 125.698 4.999 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 1 P-O3'-C3' 125.337 4.697 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.509 2 P-O3'-C3' 126.575 5.729 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.735 0 C4'-C3'-C2' 105.997 3.297 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 1 P-O3'-C3' 126.868 5.973 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.155 0 O4'-C1'-N19 111.51 3.31 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.873 0 O4'-C1'-N19 111.129 2.929 . 0.641 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.536 0 C5'-C4'-O4' 113.803 3.288 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.954 1 O4'-C1'-N19 112.346 4.146 . 0.894 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.634 1 N19-C1'-C2' 119.922 4.076 . 0.641 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.082 1 O4'-C1'-N19 113.558 5.358 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 120.617 0.246 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.27 87.82 7.42 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 125.258 1.423 . . . . 0.0 109.245 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -96.71 -63.34 1.15 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.056 2.143 . . . . 0.0 107.239 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.2 p -67.07 -43.76 81.8 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 127.138 2.175 . . . . 0.0 113.882 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -55.36 -50.16 70.4 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.335 1.454 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.519 HH12 " H3'" ' A' ' 7' ' ' ' C' . 46.4 ttt85 -62.2 -56.35 19.58 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 126.861 2.064 . . . . 0.0 108.874 175.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -43.21 -58.45 2.5 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 129.132 2.973 . . . . 0.0 111.952 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -37.95 -57.22 1.06 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 127.9 2.48 . . . . 0.0 113.394 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.28 -55.72 12.75 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.82 2.048 . . . . 0.0 111.905 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 127.572 2.349 . . . . 0.0 111.533 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -55.44 -62.07 1.92 Allowed 'General case' 0 C--N 1.369 1.437 0 C-N-CA 131.506 3.923 . . . . 0.0 109.319 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -43.33 -52.8 5.63 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 126.831 2.052 . . . . 0.0 111.425 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.24 -56.19 23.4 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 129.129 2.972 . . . . 0.0 111.882 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.532 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -50.28 -47.77 55.24 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 129.661 3.185 . . . . 0.0 112.369 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.7 mt -54.86 -57.98 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.828 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 178.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.97 -40.85 61.53 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 126.803 2.041 . . . . 0.0 113.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.532 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 82.8 mtm180 -58.21 -54.99 40.79 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 127.424 2.29 . . . . 0.0 110.817 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.65 -54.75 42.82 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.982 2.513 . . . . 0.0 112.173 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.261 1.684 0 C-N-CA 130.403 3.481 . . . . 0.0 110.371 178.619 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.976 1 C3'-C2'-C1' 105.173 4.081 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.794 0 C5'-C4'-O4' 114.074 3.481 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.467 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.417 0 N19-C1'-C2' 118.717 3.323 . 0.522 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.478 ' C5 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.307 3 O4'-C1'-N19 113.891 5.691 . 0.436 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.265 2 P-O3'-C3' 126.234 5.445 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 0 OP1-P-OP2 116.629 -1.981 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.654 1 P-O3'-C3' 126.373 5.561 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.646 0 C4'-C3'-C2' 106.451 3.751 OUTLIER-DELTA 0.0 OUTLIER '7D dist 4p' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.267 1 P-O3'-C3' 125.387 4.739 . 0.025 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.048 1 O4'-C1'-N19 112.62 4.42 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.333 0 O4'-C1'-N19 111.938 3.738 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . 0.401 " H2'" ' C6 ' ' A' ' 16' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.887 0 C5'-C4'-O4' 113.954 3.396 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . 0.401 ' C6 ' " H2'" ' A' ' 15' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.451 3.106 0 O4'-C1'-N19 112.126 3.926 . 0.902 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.461 0 O4'-C1'-N19 112.131 3.931 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.071 2 O4'-C1'-N19 114.261 6.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASN . . . . . 0.545 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.2 90.07 8.03 Favored 'General case' 0 C--N 1.376 1.722 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.37 -65.62 0.96 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.984 2.113 . . . . 0.0 108.03 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p -67.45 -44.3 79.0 Favored 'General case' 0 C--N 1.374 1.648 0 C-N-CA 127.042 2.137 . . . . 0.0 113.61 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -55.29 -44.35 75.64 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.228 1.811 . . . . 0.0 110.491 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.478 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 29.8 ttt85 -67.61 -60.22 2.72 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.593 2.357 . . . . 0.0 107.921 175.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -39.88 -54.43 2.16 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 130.018 3.327 . . . . 0.0 112.903 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.57 -51.56 1.18 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.035 2.534 . . . . 0.0 114.22 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.18 -51.17 10.62 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.465 2.306 . . . . 0.0 111.134 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.494 HH12 HH22 ' B' ' 17' ' ' ARG . 0.0 OUTLIER -52.62 -44.45 66.06 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 128.451 2.701 . . . . 0.0 111.889 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -51.11 -57.92 7.44 Favored 'General case' 0 C--N 1.37 1.491 1 C-N-CA 132.261 4.225 . . . . 0.0 108.215 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' B' ' 15' ' ' ILE . 95.9 mttt -42.33 -56.92 2.78 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 127.433 2.293 . . . . 0.0 111.37 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.31 -51.77 66.35 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.771 2.028 . . . . 0.0 113.274 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.92 -48.99 51.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.086 2.154 . . . . 0.0 111.297 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.277 1.1 mt -58.5 -60.38 2.38 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 C-N-CA 124.332 1.053 . . . . 0.0 108.345 177.466 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.67 -36.64 16.5 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 127.068 2.147 . . . . 0.0 114.649 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.494 HH22 HH12 ' B' ' 10' ' ' ARG . 84.2 mtm-85 -61.16 -58.45 8.29 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 126.601 1.96 . . . . 0.0 110.626 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.83 -53.88 51.37 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.836 2.854 . . . . 0.0 112.201 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 C--O 1.261 1.673 0 C-N-CA 130.286 3.434 . . . . 0.0 110.106 178.014 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.591 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.038 2 C3'-C2'-C1' 105.196 4.107 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.591 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.558 3.683 0 C5'-C4'-O4' 113.951 3.394 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.469 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.125 0 N19-C1'-C2' 119.511 3.819 . 0.493 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.469 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.359 3 O4'-C1'-N19 114.085 5.885 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.206 2 P-O3'-C3' 124.928 4.357 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.337 1 P-O3'-C3' 127.765 6.721 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.73 1 P-O3'-C3' 125.778 5.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.244 0 C4'-C3'-C2' 106.505 3.805 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.903 1 P-O3'-C3' 130.874 9.311 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.16 0 O4'-C1'-N19 111.337 3.137 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.886 0 C5'-C4'-C3' 111.076 -2.949 . 0.694 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.668 0 C5'-C4'-O4' 113.68 3.2 . 0.514 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 1 O4'-C1'-N19 112.445 4.245 . 0.914 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.739 1 O4'-C1'-N19 112.738 4.538 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.084 1 O4'-C1'-N19 113.667 5.467 . 0.907 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.617 0.246 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.64 85.53 7.09 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -96.76 -58.53 2.02 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.815 2.446 . . . . 0.0 109.438 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p -71.9 -38.55 69.93 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 127.331 2.252 . . . . 0.0 113.166 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -56.39 -48.65 76.46 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.267 1.827 . . . . 0.0 111.548 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.407 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 7.1 ptm85 -70.41 -45.04 66.7 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 125.109 1.363 . . . . 0.0 110.415 174.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -48.58 -56.29 8.82 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 128.353 2.661 . . . . 0.0 110.938 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -38.24 -55.44 1.32 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.583 2.753 . . . . 0.0 112.869 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -65.04 -57.69 8.02 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.227 2.211 . . . . 0.0 111.645 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -54.98 -43.38 73.49 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 128.445 2.698 . . . . 0.0 112.462 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -51.99 -59.01 4.84 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 131.274 3.829 . . . . 0.0 108.855 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -41.91 -55.17 3.2 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 127.098 2.159 . . . . 0.0 111.478 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.91 -52.42 59.95 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.196 1.799 . . . . 0.0 113.806 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.91 -46.68 60.84 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 127.534 2.334 . . . . 0.0 111.888 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.282 1.0 OUTLIER -60.29 -58.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.87 -9.25 0.76 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.958 1.703 . . . . 0.0 115.46 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -76.21 -57.26 3.97 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 126.583 1.953 . . . . 0.0 105.827 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -57.28 -49.18 76.89 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 130.441 3.497 . . . . 0.0 112.831 178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 C--O 1.261 1.675 0 C-N-CA 130.165 3.386 . . . . 0.0 112.638 179.766 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.591 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.079 1 C3'-C2'-C1' 105.508 4.453 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.591 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.03 0 P-O3'-C3' 123.955 3.546 . 0.501 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.46 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.307 0 N19-C1'-C2' 119.197 3.623 . 0.585 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.504 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.35 3 O4'-C1'-N19 113.947 5.747 . 0.48 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.451 2 P-O3'-C3' 125.303 4.669 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.515 " H2'" " H2'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.554 3.401 1 P-O3'-C3' 128.97 7.725 . 0.683 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.515 " H2'" " H2'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.37 2 P-O3'-C3' 126.196 5.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.142 2 O4'-C1'-N19 112.886 4.686 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.51 1 P-O3'-C3' 124.725 4.188 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.928 1 O4'-C1'-N19 112.608 4.408 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.477 0 O5'-C5'-C4' 113.735 2.525 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.532 0 N19-C1'-C2' 118.195 2.997 . 0.432 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.929 0 O4'-C1'-N19 111.963 3.763 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.401 0 N19-C1'-C2' 119.336 3.71 . 0.68 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.033 1 O4'-C1'-N19 113.605 5.405 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.783 0.325 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.87 87.67 7.36 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.689 1.596 . . . . 0.0 108.772 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -98.05 -60.06 1.63 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 128.093 2.557 . . . . 0.0 107.876 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.3 p -67.34 -42.88 82.83 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 127.576 2.35 . . . . 0.0 113.871 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -53.05 -50.84 63.49 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.363 1.865 . . . . 0.0 112.027 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.504 HH12 " H3'" ' A' ' 7' ' ' ' C' . 7.7 ptm85 -69.37 -45.32 69.63 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 125.275 1.43 . . . . 0.0 110.647 175.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -48.65 -54.03 16.31 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 128.239 2.616 . . . . 0.0 110.751 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -39.03 -53.14 1.81 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 128.443 2.697 . . . . 0.0 112.875 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -69.36 -54.61 13.64 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 127.31 2.244 . . . . 0.0 111.534 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -53.74 -44.42 69.93 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 128.801 2.84 . . . . 0.0 112.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -51.88 -56.93 11.1 Favored 'General case' 0 C--N 1.37 1.475 1 C-N-CA 131.729 4.011 . . . . 0.0 108.528 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -42.04 -54.07 3.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 127.14 2.176 . . . . 0.0 111.384 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.05 -53.54 48.31 Favored 'General case' 0 C--N 1.368 1.402 0 C-N-CA 126.456 1.902 . . . . 0.0 113.321 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.41 -46.4 56.24 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.443 2.297 . . . . 0.0 112.008 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -61.08 -58.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 176.736 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -51.87 -27.65 13.44 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 126.041 1.737 . . . . 0.0 114.372 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -57.52 -51.66 68.57 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 126.549 1.94 . . . . 0.0 108.399 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -66.53 -48.47 69.63 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 130.18 3.392 . . . . 0.0 112.41 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--O 1.261 1.71 0 C-N-CA 129.077 2.951 . . . . 0.0 112.194 -179.34 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.563 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.034 1 C3'-C2'-C1' 105.821 4.801 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.563 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.895 0 C5'-C4'-O4' 113.971 3.408 . 0.567 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.449 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.542 2.469 0 N19-C1'-C2' 119.612 3.882 . 0.461 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.449 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.418 1 O4'-C1'-N19 112.719 4.519 . 0.387 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.438 H5'' HH22 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.547 2.872 2 P-O3'-C3' 127.273 6.311 . 0.108 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.073 1 P-O3'-C3' 125.861 5.134 . 0.325 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.906 2 P-O3'-C3' 125.026 4.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 1 O4'-C1'-N19 112.36 4.16 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.578 -2.436 1 P-O3'-C3' 129.693 8.328 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.929 1 O4'-C1'-N19 112.786 4.586 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.341 0 O5'-C5'-C4' 114.268 2.906 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.641 0 N19-C1'-C2' 118.099 2.937 . 0.448 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.962 0 O4'-C1'-N19 111.879 3.679 . 0.384 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.511 0 N19-C1'-C2' 119.411 3.757 . 0.702 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.054 1 O4'-C1'-N19 113.41 5.21 . 0.547 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASN . . . . . 0.479 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 7.4 p-10 . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.45 88.0 7.55 Favored 'General case' 0 C--N 1.372 1.578 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -95.04 -63.93 1.12 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 126.629 1.972 . . . . 0.0 107.623 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.6 p -65.25 -45.73 83.39 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 126.933 2.093 . . . . 0.0 113.331 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.68 -42.93 71.99 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.196 1.798 . . . . 0.0 111.912 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.438 HH22 H5'' ' A' ' 8' ' ' ' U' . 37.6 ttt85 -70.21 -57.87 4.43 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.733 2.413 . . . . 0.0 108.196 174.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -41.99 -55.38 3.17 Favored 'General case' 0 C--N 1.378 1.809 0 C-N-CA 129.867 3.267 . . . . 0.0 112.791 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -37.41 -51.28 1.11 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 128.547 2.739 . . . . 0.0 113.744 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 68.2 mtm-85 -75.39 -54.02 7.75 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.526 1.93 . . . . 0.0 111.348 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -51.57 -44.9 62.92 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 128.131 2.573 . . . . 0.0 112.306 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -50.81 -58.85 4.93 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 131.582 3.953 . . . . 0.0 109.003 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -42.63 -53.84 4.26 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 127.31 2.244 . . . . 0.0 111.577 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.37 -53.62 45.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.377 1.871 . . . . 0.0 113.287 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.0 53.89 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 127.51 2.324 . . . . 0.0 111.77 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.283 1.0 OUTLIER -60.45 -58.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.378 1.827 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 176.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -52.06 -27.75 14.93 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.141 1.776 . . . . 0.0 114.618 -178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -58.37 -52.66 64.66 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 126.332 1.853 . . . . 0.0 108.204 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.6 -48.86 73.37 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 129.842 3.257 . . . . 0.0 112.357 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--O 1.261 1.66 0 C-N-CA 129.051 2.94 . . . . 0.0 112.141 -179.41 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.573 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.124 1 O4'-C1'-N19 112.21 4.01 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.573 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.776 0 O5'-C5'-C4' 114.807 3.291 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.49 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.396 0 N19-C1'-C2' 119.225 3.641 . 0.557 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.49 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.217 2 O4'-C1'-N19 114.003 5.803 . 0.56 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.41 ' H6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.048 1 P-O3'-C3' 124.702 4.168 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.22 0 C4'-C3'-C2' 105.454 2.754 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.318 1 P-O3'-C3' 126.717 5.848 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 2 O4'-C1'-N19 112.916 4.716 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.958 2 P-O3'-C3' 126.643 5.785 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.097 1 O4'-C1'-N19 112.256 4.056 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.46 0 O4'-C1'-N19 111.803 3.603 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.032 0 C5'-C4'-O4' 114.079 3.485 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.84 1 O4'-C1'-N19 112.342 4.142 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.709 1 O4'-C1'-N19 112.312 4.112 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.081 1 O4'-C1'-N19 113.408 5.208 . 0.873 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.996 0.427 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.26 25.31 1.01 Allowed 'General case' 0 C--N 1.367 1.362 0 C-N-CA 125.231 1.412 . . . . 0.0 114.71 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -43.87 -50.53 7.95 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.631 3.173 . . . . 0.0 113.308 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.0 p -75.99 -39.83 55.01 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 126.701 2.001 . . . . 0.0 113.537 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -57.07 -52.23 66.11 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 125.112 1.365 . . . . 0.0 110.741 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.411 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 5.9 ptm85 -63.28 -47.09 83.78 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.308 1.443 . . . . 0.0 110.909 175.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -50.13 -55.75 13.74 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 128.007 2.523 . . . . 0.0 111.519 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -41.49 -56.74 2.44 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.784 2.434 . . . . 0.0 113.178 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -61.68 -55.55 29.22 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.858 2.063 . . . . 0.0 111.225 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -54.34 -47.22 72.79 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.183 2.593 . . . . 0.0 111.912 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -49.52 -59.03 4.12 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.262 3.825 . . . . 0.0 108.344 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' B' ' 15' ' ' ILE . 65.9 mttm -40.82 -56.01 2.31 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 127.254 2.222 . . . . 0.0 111.881 177.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.81 -53.76 45.79 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.292 1.837 . . . . 0.0 113.084 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.68 -47.96 40.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.351 2.26 . . . . 0.0 111.682 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.278 0.9 OUTLIER -60.83 -59.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.54 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -47.91 -38.89 17.48 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 127.404 2.282 . . . . 0.0 114.117 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -57.45 -58.21 9.3 Favored 'General case' 0 C--N 1.374 1.636 0 C-N-CA 127.858 2.463 . . . . 0.0 110.599 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -57.42 -56.02 27.33 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 129.081 2.952 . . . . 0.0 112.112 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.261 1.674 0 C-N-CA 130.462 3.505 . . . . 0.0 110.491 178.377 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.546 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.032 1 C3'-C2'-C1' 105.305 4.227 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.585 ' H41' ' HA ' ' B' ' 1' ' ' ASN . . . . . . . . 0 C5'--C4' 1.559 3.737 1 P-O3'-C3' 124.719 4.182 . 0.342 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.448 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.523 0 O4'-C1'-N19 111.727 3.527 . 0.479 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.505 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.313 1 O4'-C1'-N19 113.934 5.734 . 0.323 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . 0.407 ' H6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.064 1 C5'-C4'-O4' 115.061 4.186 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.406 " H2'" " H3'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.103 1 P-O3'-C3' 125.564 4.887 . 0.786 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.406 " H3'" " H2'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.681 2 P-O3'-C3' 125.207 4.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . 0.432 H5'' ' HB2' ' B' ' 14' ' ' ALA . . . . . . . . 0 C5'--C4' 1.544 2.651 0 C4'-C3'-C2' 106.298 3.598 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.706 1 P-O3'-C3' 129.506 8.172 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.148 1 O4'-C1'-N19 112.445 4.245 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.36 0 O5'-C5'-C4' 113.94 2.672 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.519 0 N19-C1'-C2' 117.736 2.71 . 0.518 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.028 0 O4'-C1'-N19 112.071 3.871 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 1 N19-C1'-C2' 119.868 4.042 . 0.64 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.974 1 O4'-C1'-N19 113.69 5.49 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ASN . . . . . 0.585 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 5.7 t-20 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.43 92.8 9.21 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -92.47 -69.22 0.75 Allowed 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.85 2.06 . . . . 0.0 107.466 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.4 p -63.15 -44.34 95.79 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.003 1.721 . . . . 0.0 113.729 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.66 -47.77 79.08 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.117 1.767 . . . . 0.0 111.741 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.505 HH12 " H3'" ' A' ' 7' ' ' ' C' . 47.9 ttt85 -66.29 -55.26 16.9 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 126.265 1.826 . . . . 0.0 108.623 174.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -44.77 -58.55 3.02 Favored 'General case' 0 C--N 1.376 1.733 0 C-N-CA 129.303 3.041 . . . . 0.0 112.583 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -38.31 -57.87 1.06 Allowed 'General case' 0 C--N 1.368 1.402 0 C-N-CA 128.186 2.594 . . . . 0.0 113.235 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -69.33 -52.36 28.06 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 125.622 1.569 . . . . 0.0 112.16 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -55.29 -44.35 75.63 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 126.526 1.93 . . . . 0.0 112.261 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -49.66 -57.91 6.3 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 131.665 3.986 . . . . 0.0 108.975 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -42.76 -55.19 3.74 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.159 2.184 . . . . 0.0 111.542 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.474 1.91 . . . . 0.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.432 ' HB2' H5'' ' A' ' 11' ' ' ' C' . . . -51.91 -47.46 64.63 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.019 2.528 . . . . 0.0 112.058 177.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.1 mt -60.08 -60.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -53.28 -28.97 30.68 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 126.343 1.857 . . . . 0.0 114.533 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -59.58 -50.69 72.89 Favored 'General case' 0 C--N 1.377 1.762 0 C-N-CA 126.779 2.032 . . . . 0.0 108.441 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.44 -49.81 67.75 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 128.634 2.774 . . . . 0.0 111.925 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 C--O 1.262 1.714 0 C-N-CA 129.146 2.978 . . . . 0.0 112.147 -179.465 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.566 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.151 1 C3'-C2'-C1' 105.574 4.526 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.566 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.747 0 C5'-C4'-O4' 113.787 3.276 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.477 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.097 0 N19-C1'-C2' 119.39 3.744 . 0.343 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.477 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.267 2 O4'-C1'-N19 114.297 6.097 . 0.315 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.025 1 C5'-C4'-O4' 114.839 4.028 . 0.683 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.26 1 P-O3'-C3' 128.129 7.024 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.537 2 P-O3'-C3' 125.353 4.711 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.527 1 C4'-C3'-C2' 107.176 4.476 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.617 1 P-O3'-C3' 128.914 7.678 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.062 0 O4'-C1'-N19 111.648 3.448 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.129 0 C5'-C4'-C3' 109.863 -3.758 . 0.375 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.578 -2.378 0 P-O3'-C3' 123.833 3.444 . 0.213 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.793 1 O4'-C1'-N19 112.586 4.386 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.697 0 O4'-C1'-N19 112.133 3.933 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.276 1 O4'-C1'-N19 113.648 5.448 . 0.869 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.3 94.29 9.3 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 125.215 1.406 . . . . 0.0 107.592 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -96.26 -69.29 0.76 Allowed 'General case' 0 C--N 1.356 0.889 0 C-N-CA 128.648 2.779 . . . . 0.0 107.783 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.0 p -65.25 -41.42 94.31 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.398 2.279 . . . . 0.0 113.809 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -55.26 -48.75 73.55 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 126.894 2.078 . . . . 0.0 112.341 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -70.61 -49.88 43.02 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.562 1.545 . . . . 0.0 110.405 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -42.87 -52.83 4.94 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 129.954 3.302 . . . . 0.0 112.446 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -31.52 -55.06 0.26 Allowed 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.289 3.035 . . . . 0.0 115.043 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -51.81 12.3 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 126.911 2.084 . . . . 0.0 111.83 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -52.95 -43.61 66.46 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.878 2.471 . . . . 0.0 111.542 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -51.26 -57.57 8.49 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 131.388 3.875 . . . . 0.0 108.738 175.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -41.08 -56.04 2.42 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 127.152 2.181 . . . . 0.0 111.808 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.94 -52.25 63.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 127.319 2.248 . . . . 0.0 113.75 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.87 -48.61 66.99 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.595 1.958 . . . . 0.0 111.134 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.278 1.4 mt -58.02 -61.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.952 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -41.8 -50.31 4.35 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.745 2.418 . . . . 0.0 113.847 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -51.43 -57.66 8.38 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.412 2.285 . . . . 0.0 112.339 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -66.1 -55.47 16.31 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 128.993 2.917 . . . . 0.0 113.415 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.259 1.56 0 C-N-CA 131.208 3.803 . . . . 0.0 110.369 -178.606 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.503 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.577 1 O4'-C1'-N19 113.687 5.487 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.503 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.28 1 P-O3'-C3' 135.344 13.037 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.457 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.387 0 N19-C1'-C2' 119.244 3.653 . 0.705 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.457 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.336 2 O4'-C1'-N19 112.82 4.62 . 0.498 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.887 2 P-O3'-C3' 127.773 6.727 . 0.298 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.413 " H2'" " H3'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.551 3.128 1 P-O3'-C3' 127.523 6.519 . 0.236 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.413 " H3'" " H2'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.733 1 P-O3'-C3' 125.531 4.859 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.561 0 C4'-C3'-C2' 106.613 3.913 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.11 1 P-O3'-C3' 131.482 9.818 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.024 0 O4'-C1'-N19 111.864 3.664 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.371 0 O4'-C1'-N19 111.305 3.105 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.8 0 C5'-C4'-O4' 114.021 3.444 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.896 0 O4'-C1'-N19 112.154 3.954 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.504 1 O4'-C1'-N19 112.362 4.162 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.106 1 O4'-C1'-N19 113.468 5.268 . 0.899 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.03 -42.39 72.58 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.423 1.889 . . . . 0.0 115.16 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -56.96 -48.91 77.25 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 126.305 1.842 . . . . 0.0 108.555 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . 0.275 33.0 p -62.64 -32.48 73.53 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 117.332 -1.318 . . . . 0.0 112.362 175.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -62.66 -55.1 30.02 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-N 121.03 1.741 . . . . 0.0 111.088 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -60.7 -46.17 91.39 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.701 1.6 . . . . 0.0 110.516 176.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -49.06 -57.65 6.23 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 128.658 2.783 . . . . 0.0 110.984 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -32.17 -55.13 0.32 Allowed 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.89 2.476 . . . . 0.0 114.905 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -76.36 -53.12 8.62 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 126.077 1.751 . . . . 0.0 111.139 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -50.33 -42.21 52.5 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.172 2.589 . . . . 0.0 112.099 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -52.31 -59.08 4.84 Favored 'General case' 0 C--N 1.371 1.5 1 C-N-CA 132.276 4.23 . . . . 0.0 109.284 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -42.44 -53.8 4.12 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 127.186 2.194 . . . . 0.0 111.492 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.93 -52.34 56.94 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 126.714 2.005 . . . . 0.0 113.46 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.88 -46.35 64.46 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.632 2.373 . . . . 0.0 112.392 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.28 1.1 mt -60.79 -57.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.377 1.77 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.69 -14.56 1.4 Allowed 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.532 1.933 . . . . 0.0 114.869 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -69.92 -56.27 7.47 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 126.576 1.951 . . . . 0.0 106.578 174.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.09 -50.1 75.02 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 130.433 3.493 . . . . 0.0 112.818 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 C--O 1.26 1.622 0 C-N-CA 129.828 3.251 . . . . 0.0 112.812 -179.561 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.589 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.532 1.657 1 O4'-C1'-N19 112.415 4.215 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.589 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.804 0 O4'-C1'-N19 111.643 3.443 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.657 1 N19-C1'-C2' 120.134 4.209 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.393 1 O4'-C1'-N19 112.731 4.531 . 0.217 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 2 P-O3'-C3' 128.53 7.358 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.076 1 P-O3'-C3' 126.1 5.333 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.248 1 P-O3'-C3' 124.946 4.371 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.383 0 C3'-C2'-C1' 105.045 3.939 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . 0.4 " H2'" ' C8 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 P--O3' 1.579 -2.366 1 P-O3'-C3' 128.375 7.229 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . 0.4 ' C8 ' " H2'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.07 0 O4'-C1'-N19 112.043 3.843 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.927 0 O4'-C1'-N19 111.157 2.957 . 0.683 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.715 0 C5'-C4'-O4' 113.842 3.316 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 1 O4'-C1'-N19 112.571 4.371 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.532 1 N19-C1'-C2' 120.347 4.342 . 0.647 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.863 1 O4'-C1'-N19 113.626 5.426 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.72 80.54 0.44 Allowed 'General case' 0 C--N 1.373 1.612 0 C-N-CA 126.172 1.789 . . . . 0.0 114.356 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -99.81 -57.85 2.05 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 128.714 2.805 . . . . 0.0 106.415 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.5 p -64.04 -46.33 84.89 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 127.669 2.387 . . . . 0.0 113.86 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -51.22 -51.07 57.41 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.921 1.688 . . . . 0.0 111.092 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -62.55 -58.34 7.91 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 128.013 2.525 . . . . 0.0 109.054 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -45.56 -55.27 6.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 128.899 2.879 . . . . 0.0 113.24 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -38.02 -60.77 0.72 Allowed 'General case' 0 C--N 1.369 1.423 0 C-N-CA 128.902 2.881 . . . . 0.0 113.048 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.271 29.1 ptt-85 -66.59 -52.58 43.77 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 125.132 1.373 . . . . 0.0 112.687 177.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -51.64 -47.16 63.83 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 128.078 2.551 . . . . 0.0 111.736 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -50.19 -60.56 2.85 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 131.504 3.922 . . . . 0.0 108.933 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -42.88 -55.72 3.58 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 126.394 1.878 . . . . 0.0 111.803 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.38 -53.21 58.29 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.063 1.745 . . . . 0.0 113.601 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.33 -48.36 46.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 127.831 2.452 . . . . 0.0 111.009 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.272 1.6 mt -58.2 -60.64 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.379 1.891 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -57.19 -7.83 0.6 Allowed 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.806 2.043 . . . . 0.0 115.89 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -86.29 -57.0 3.18 Favored 'General case' 0 C--N 1.372 1.585 0 C-N-CA 127.482 2.313 . . . . 0.0 107.103 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -54.64 -49.82 69.62 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.895 2.878 . . . . 0.0 112.256 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--O 1.261 1.695 0 C-N-CA 131.273 3.829 . . . . 0.0 112.242 178.353 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ' G' . . . . . 0.55 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.063 0 O4'-C1'-N19 111.991 3.791 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . 0.55 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.033 0 O5'-C5'-C4' 115.203 3.574 . 0.539 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.471 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.687 0 O4'-C1'-N19 111.608 3.408 . 0.537 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ' C' . . . . . 0.471 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.444 1 O4'-C1'-N19 112.654 4.454 . 0.394 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.771 2 P-O3'-C3' 128.583 7.403 . 0.335 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.116 1 P-O3'-C3' 126.29 5.491 . 0.309 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.843 1 P-O3'-C3' 125.123 4.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.47 0 C4'-C3'-C2' 106.581 3.881 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 2 P-O3'-C3' 131.027 9.439 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.025 0 O4'-C1'-N19 111.664 3.464 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.194 0 O4'-C1'-N19 111.23 3.03 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.785 0 C5'-C4'-O4' 113.685 3.204 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.904 0 O4'-C1'-N19 112.07 3.87 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.626 0 N19-C1'-C2' 119.597 3.873 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.156 1 O4'-C1'-N19 113.629 5.429 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 120.631 0.253 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.52 85.41 7.43 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 125.228 1.411 . . . . 0.0 109.207 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -95.52 -62.64 1.26 Allowed 'General case' 0 C--N 1.361 1.098 0 C-N-CA 127.105 2.162 . . . . 0.0 106.539 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 24.3 p -65.89 -43.77 87.3 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 126.73 2.012 . . . . 0.0 114.099 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.33 -46.9 82.79 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 125.47 1.508 . . . . 0.0 111.731 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -67.03 -51.87 49.41 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 125.99 1.716 . . . . 0.0 108.731 174.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -43.35 -58.09 2.72 Favored 'General case' 0 C--N 1.38 1.911 0 C-N-CA 128.701 2.8 . . . . 0.0 110.904 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -35.55 -56.99 0.64 Allowed 'General case' 0 C--N 1.371 1.521 0 C-N-CA 128.218 2.607 . . . . 0.0 113.567 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -63.89 -57.25 10.37 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.69 2.396 . . . . 0.0 112.088 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -59.24 -44.04 92.37 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 128.938 2.895 . . . . 0.0 112.907 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.13 -57.27 8.07 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 131.29 3.836 . . . . 0.0 108.675 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -40.77 -56.88 2.07 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 128.094 2.558 . . . . 0.0 111.527 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.15 -52.34 59.53 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.852 2.061 . . . . 0.0 113.421 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.23 63.97 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 127.053 2.141 . . . . 0.0 112.139 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.3 0.8 OUTLIER -62.55 -57.69 10.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 177.056 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.27 -27.48 9.37 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 125.95 1.7 . . . . 0.0 114.637 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -58.68 -51.4 70.08 Favored 'General case' 0 C--N 1.377 1.769 0 C-N-CA 126.326 1.85 . . . . 0.0 108.578 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -66.27 -48.0 71.85 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 129.765 3.226 . . . . 0.0 112.377 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.261 1.706 0 C-N-CA 129.032 2.933 . . . . 0.0 112.184 -179.359 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.463 0.221 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.45 -49.74 73.73 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.777 1.631 . . . . 0.0 111.338 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -65.69 -54.41 27.82 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.076 2.15 . . . . 0.0 108.602 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -42.91 -58.56 2.34 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 128.686 2.794 . . . . 0.0 112.682 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -32.69 -60.68 0.3 Allowed 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.899 2.879 . . . . 0.0 114.573 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -72.63 -48.32 40.47 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 126.584 1.954 . . . . 0.0 113.129 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -54.83 -44.63 74.07 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.322 2.249 . . . . 0.0 110.839 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -49.62 -60.87 2.48 Favored 'General case' 0 C--N 1.373 1.589 1 C-N-CA 132.219 4.208 . . . . 0.0 109.737 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -41.9 -54.03 3.58 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.129 2.172 . . . . 0.0 111.404 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.24 -52.28 55.52 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.588 2.355 . . . . 0.0 113.295 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.14 -48.31 44.89 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 128.026 2.531 . . . . 0.0 110.851 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.0 OUTLIER -60.99 -60.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.379 1.861 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 176.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.37 1.46 0 C-N-CA 127.339 2.256 . . . . 0.0 116.035 -178.365 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.0 p . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -56.62 -49.22 75.6 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.762 2.025 . . . . 0.0 110.88 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -66.28 -55.02 18.09 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.621 1.969 . . . . 0.0 108.892 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -43.58 -56.78 3.49 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 128.953 2.901 . . . . 0.0 112.272 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -38.68 -56.83 1.27 Allowed 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.177 2.591 . . . . 0.0 113.465 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -68.74 -53.38 22.28 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.221 2.209 . . . . 0.0 111.652 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -56.22 -45.47 79.92 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.888 2.075 . . . . 0.0 112.047 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -47.58 -58.43 4.26 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 131.463 3.905 . . . . 0.0 108.824 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -42.45 -56.14 3.15 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 127.381 2.272 . . . . 0.0 111.845 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.18 -49.96 65.54 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.493 1.917 . . . . 0.0 113.441 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.53 -48.52 57.12 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 127.89 2.476 . . . . 0.0 111.153 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.4 mt -57.79 -62.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 . . . . . 0 C--N 1.372 1.551 0 C-N-CA 127.178 2.191 . . . . 0.0 114.394 -178.452 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -57.15 -52.05 66.87 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 125.695 1.598 . . . . 0.0 111.726 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 ptm85 -64.7 -45.71 85.43 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.495 1.118 . . . . 0.0 110.22 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -48.3 -58.59 4.37 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 128.37 2.668 . . . . 0.0 111.067 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -36.09 -61.11 0.51 Allowed 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.419 2.687 . . . . 0.0 113.087 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -64.68 -51.83 60.47 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.804 1.642 . . . . 0.0 113.301 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.25 95.06 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.267 1.827 . . . . 0.0 112.126 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -51.59 -57.48 9.0 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 131.218 3.807 . . . . 0.0 107.967 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' B' ' 15' ' ' ILE . 58.4 mttp -41.0 -56.4 2.28 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 127.352 2.261 . . . . 0.0 111.122 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.44 -51.53 65.32 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 127.401 2.28 . . . . 0.0 113.528 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.79 -46.94 59.84 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 127.423 2.289 . . . . 0.0 111.061 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.274 1.0 OUTLIER -60.42 -59.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.381 1.936 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.721 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--N 1.372 1.547 0 C-N-CA 126.289 1.836 . . . . 0.0 115.859 -178.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -54.79 -52.75 61.68 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.925 2.09 . . . . 0.0 110.609 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -63.35 -53.53 51.07 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 125.877 1.671 . . . . 0.0 109.1 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -43.46 -57.55 3.03 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.258 2.623 . . . . 0.0 112.54 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -36.79 -61.23 0.56 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.939 2.896 . . . . 0.0 114.025 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -53.71 44.02 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 125.327 1.451 . . . . 0.0 111.683 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -52.4 -46.94 66.51 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 128.071 2.548 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -49.32 -60.23 3.01 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 131.395 3.878 . . . . 0.0 109.278 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -42.12 -55.56 3.19 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 127.083 2.153 . . . . 0.0 111.448 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.42 -53.91 44.89 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.218 1.807 . . . . 0.0 113.468 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.22 -47.97 35.34 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.315 2.646 . . . . 0.0 111.812 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.292 1.0 OUTLIER -61.49 -58.82 5.84 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 . . . . . 0 C--N 1.37 1.485 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -178.631 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -57.12 -44.95 83.79 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 125.584 1.553 . . . . 0.0 110.996 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -66.89 -57.39 7.06 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 126.736 2.014 . . . . 0.0 108.096 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -39.74 -56.23 1.77 Allowed 'General case' 0 C--N 1.379 1.851 0 C-N-CA 129.275 3.03 . . . . 0.0 113.202 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -34.66 -55.69 0.55 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.684 2.794 . . . . 0.0 114.838 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -73.38 -50.48 21.68 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 126.956 2.103 . . . . 0.0 111.539 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -55.84 -45.57 78.38 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 126.788 2.035 . . . . 0.0 111.401 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -46.77 -56.28 6.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 131.171 3.788 . . . . 0.0 108.968 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -43.22 -55.24 4.07 Favored 'General case' 0 C--N 1.374 1.653 0 C-N-CA 127.79 2.436 . . . . 0.0 111.549 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.83 -48.92 67.41 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.584 1.954 . . . . 0.0 112.958 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.28 -48.94 45.66 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.053 2.541 . . . . 0.0 111.644 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.273 1.3 mt -57.19 -59.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--N 1.373 1.616 0 C-N-CA 126.904 2.082 . . . . 0.0 114.086 -179.395 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -58.38 -46.28 86.67 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.223 2.209 . . . . 0.0 110.548 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -67.52 -55.93 11.55 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.862 2.065 . . . . 0.0 108.166 174.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -42.62 -57.15 2.82 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 129.632 3.173 . . . . 0.0 112.12 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -39.59 -57.09 1.54 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 127.337 2.255 . . . . 0.0 113.585 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -64.87 -56.48 13.15 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 126.069 1.747 . . . . 0.0 111.629 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -53.81 -44.48 70.22 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.924 2.49 . . . . 0.0 111.924 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -54.1 -63.51 1.13 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 131.489 3.916 . . . . 0.0 109.515 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -43.51 -52.82 5.93 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.297 2.239 . . . . 0.0 111.335 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.78 -56.79 17.02 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.088 2.955 . . . . 0.0 112.171 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.6 -47.63 58.07 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 129.467 3.107 . . . . 0.0 112.046 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.27 2.0 mt -55.27 -57.84 6.17 Favored 'Isoleucine or valine' 0 C--N 1.378 1.826 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--N 1.372 1.556 0 C-N-CA 127.081 2.152 . . . . 0.0 113.724 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 117.974 -1.012 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -44.56 82.13 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.598 1.559 . . . . 0.0 109.881 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -65.6 -57.56 7.85 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 126.879 2.071 . . . . 0.0 108.215 174.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -43.28 -54.19 4.74 Favored 'General case' 0 C--N 1.381 1.959 0 C-N-CA 128.254 2.621 . . . . 0.0 112.068 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -43.55 -57.31 3.19 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.544 2.338 . . . . 0.0 112.113 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -61.4 -53.49 55.94 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.858 2.063 . . . . 0.0 112.077 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -58.78 -45.59 89.45 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 127.557 2.343 . . . . 0.0 111.751 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -50.03 -57.85 6.73 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 131.263 3.825 . . . . 0.0 108.945 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -42.56 -53.02 4.56 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.375 2.27 . . . . 0.0 111.141 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.72 -51.63 53.78 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.02 2.128 . . . . 0.0 112.607 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.13 25.69 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.63 2.772 . . . . 0.0 110.998 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.266 1.0 OUTLIER -60.42 -60.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.37 1.483 0 C-N-CA 126.575 1.95 . . . . 0.0 114.645 -178.245 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -56.89 -49.66 74.88 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 125.869 1.668 . . . . 0.0 111.571 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 ptm85 -68.65 -46.3 69.5 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 124.883 1.273 . . . . 0.0 110.312 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -47.93 -57.36 5.81 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 128.249 2.62 . . . . 0.0 111.515 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -38.66 -55.45 1.45 Allowed 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.294 2.638 . . . . 0.0 113.275 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 mtm-85 -67.63 -55.62 12.59 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 126.469 1.908 . . . . 0.0 111.322 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -52.29 -45.68 65.62 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.041 2.537 . . . . 0.0 112.091 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -49.71 -60.37 2.95 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 131.484 3.913 . . . . 0.0 109.374 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -42.4 -53.86 4.06 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.119 2.168 . . . . 0.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.65 -52.99 47.4 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.132 1.773 . . . . 0.0 113.131 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.39 42.29 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.791 2.437 . . . . 0.0 111.463 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.281 1.2 mt -58.65 -62.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.382 1.99 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--N 1.371 1.523 0 C-N-CA 127.241 2.217 . . . . 0.0 114.712 -177.856 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -56.58 -50.14 72.83 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 127.634 2.374 . . . . 0.0 111.793 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -70.25 -47.3 61.94 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.341 1.456 . . . . 0.0 110.357 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -45.98 -53.45 10.03 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 129.065 2.946 . . . . 0.0 111.735 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -31.35 -58.9 0.24 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 128.726 2.811 . . . . 0.0 114.519 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -70.44 -52.62 20.89 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.712 2.005 . . . . 0.0 111.713 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -52.24 -41.77 63.06 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.719 2.808 . . . . 0.0 111.936 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -52.33 -58.46 6.59 Favored 'General case' 0 C--N 1.371 1.505 1 C-N-CA 132.138 4.175 . . . . 0.0 108.895 175.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -41.35 -54.08 3.12 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 126.495 1.918 . . . . 0.0 111.437 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.57 -55.76 24.24 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 126.692 1.997 . . . . 0.0 113.348 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.48 56.95 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.98 2.112 . . . . 0.0 112.27 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.3 mt -59.49 -58.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 C--N 1.374 1.673 0 C-N-CA 127.354 2.262 . . . . 0.0 113.605 -178.342 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -55.36 -50.16 70.4 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.335 1.454 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 46.4 ttt85 -62.2 -56.35 19.58 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 126.861 2.064 . . . . 0.0 108.874 175.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -43.21 -58.45 2.5 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 129.132 2.973 . . . . 0.0 111.952 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -37.95 -57.22 1.06 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 127.9 2.48 . . . . 0.0 113.394 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.28 -55.72 12.75 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.82 2.048 . . . . 0.0 111.905 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 127.572 2.349 . . . . 0.0 111.533 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -55.44 -62.07 1.92 Allowed 'General case' 0 C--N 1.369 1.437 0 C-N-CA 131.506 3.923 . . . . 0.0 109.319 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -43.33 -52.8 5.63 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 126.831 2.052 . . . . 0.0 111.425 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.24 -56.19 23.4 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 129.129 2.972 . . . . 0.0 111.882 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.28 -47.77 55.24 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 129.661 3.185 . . . . 0.0 112.369 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.7 mt -54.86 -57.98 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.828 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 178.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--N 1.371 1.502 0 C-N-CA 126.803 2.041 . . . . 0.0 113.282 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -55.29 -44.35 75.64 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.228 1.811 . . . . 0.0 110.491 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -67.61 -60.22 2.72 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.593 2.357 . . . . 0.0 107.921 175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -39.88 -54.43 2.16 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 130.018 3.327 . . . . 0.0 112.903 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.57 -51.56 1.18 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.035 2.534 . . . . 0.0 114.22 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.18 -51.17 10.62 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.465 2.306 . . . . 0.0 111.134 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -44.45 66.06 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 128.451 2.701 . . . . 0.0 111.889 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -51.11 -57.92 7.44 Favored 'General case' 0 C--N 1.37 1.491 1 C-N-CA 132.261 4.225 . . . . 0.0 108.215 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' B' ' 15' ' ' ILE . 95.9 mttt -42.33 -56.92 2.78 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 127.433 2.293 . . . . 0.0 111.37 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.31 -51.77 66.35 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.771 2.028 . . . . 0.0 113.274 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.92 -48.99 51.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.086 2.154 . . . . 0.0 111.297 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.277 1.1 mt -58.5 -60.38 2.38 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 C-N-CA 124.332 1.053 . . . . 0.0 108.345 177.466 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--N 1.373 1.617 0 C-N-CA 127.068 2.147 . . . . 0.0 114.649 -177.901 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 118.378 -0.82 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -56.39 -48.65 76.46 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.267 1.827 . . . . 0.0 111.548 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -70.41 -45.04 66.7 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 125.109 1.363 . . . . 0.0 110.415 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -48.58 -56.29 8.82 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 128.353 2.661 . . . . 0.0 110.938 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -38.24 -55.44 1.32 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.583 2.753 . . . . 0.0 112.869 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -65.04 -57.69 8.02 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.227 2.211 . . . . 0.0 111.645 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -54.98 -43.38 73.49 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 128.445 2.698 . . . . 0.0 112.462 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -51.99 -59.01 4.84 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 131.274 3.829 . . . . 0.0 108.855 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -41.91 -55.17 3.2 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 127.098 2.159 . . . . 0.0 111.478 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.91 -52.42 59.95 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.196 1.799 . . . . 0.0 113.806 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.91 -46.68 60.84 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 127.534 2.334 . . . . 0.0 111.888 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.282 1.0 OUTLIER -60.29 -58.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.369 1.453 0 C-N-CA 125.958 1.703 . . . . 0.0 115.46 -179.138 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.465 0.318 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -53.05 -50.84 63.49 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.363 1.865 . . . . 0.0 112.027 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -69.37 -45.32 69.63 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 125.275 1.43 . . . . 0.0 110.647 175.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -48.65 -54.03 16.31 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 128.239 2.616 . . . . 0.0 110.751 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -39.03 -53.14 1.81 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 128.443 2.697 . . . . 0.0 112.875 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -69.36 -54.61 13.64 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 127.31 2.244 . . . . 0.0 111.534 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -53.74 -44.42 69.93 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 128.801 2.84 . . . . 0.0 112.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -51.88 -56.93 11.1 Favored 'General case' 0 C--N 1.37 1.475 1 C-N-CA 131.729 4.011 . . . . 0.0 108.528 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -42.04 -54.07 3.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 127.14 2.176 . . . . 0.0 111.384 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.05 -53.54 48.31 Favored 'General case' 0 C--N 1.368 1.402 0 C-N-CA 126.456 1.902 . . . . 0.0 113.321 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.41 -46.4 56.24 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.443 2.297 . . . . 0.0 112.008 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -61.08 -58.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 176.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--N 1.37 1.468 0 C-N-CA 126.041 1.737 . . . . 0.0 114.372 -178.461 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.68 -42.93 71.99 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.196 1.798 . . . . 0.0 111.912 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -70.21 -57.87 4.43 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.733 2.413 . . . . 0.0 108.196 174.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -41.99 -55.38 3.17 Favored 'General case' 0 C--N 1.378 1.809 0 C-N-CA 129.867 3.267 . . . . 0.0 112.791 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -37.41 -51.28 1.11 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 128.547 2.739 . . . . 0.0 113.744 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 68.2 mtm-85 -75.39 -54.02 7.75 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.526 1.93 . . . . 0.0 111.348 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -51.57 -44.9 62.92 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 128.131 2.573 . . . . 0.0 112.306 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -50.81 -58.85 4.93 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 131.582 3.953 . . . . 0.0 109.003 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -42.63 -53.84 4.26 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 127.31 2.244 . . . . 0.0 111.577 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.37 -53.62 45.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.377 1.871 . . . . 0.0 113.287 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.0 53.89 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 127.51 2.324 . . . . 0.0 111.77 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.283 1.0 OUTLIER -60.45 -58.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.378 1.827 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 176.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--N 1.369 1.45 0 C-N-CA 126.141 1.776 . . . . 0.0 114.618 -178.266 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 117.86 -1.066 . . . . 0.0 113.537 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -57.07 -52.23 66.11 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 125.112 1.365 . . . . 0.0 110.741 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -63.28 -47.09 83.78 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.308 1.443 . . . . 0.0 110.909 175.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -50.13 -55.75 13.74 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 128.007 2.523 . . . . 0.0 111.519 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -41.49 -56.74 2.44 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.784 2.434 . . . . 0.0 113.178 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -61.68 -55.55 29.22 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.858 2.063 . . . . 0.0 111.225 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -54.34 -47.22 72.79 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.183 2.593 . . . . 0.0 111.912 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -49.52 -59.03 4.12 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.262 3.825 . . . . 0.0 108.344 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' B' ' 15' ' ' ILE . 65.9 mttm -40.82 -56.01 2.31 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 127.254 2.222 . . . . 0.0 111.881 177.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.81 -53.76 45.79 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.292 1.837 . . . . 0.0 113.084 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.68 -47.96 40.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.351 2.26 . . . . 0.0 111.682 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.278 0.9 OUTLIER -60.83 -59.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.54 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.373 1.592 0 C-N-CA 127.404 2.282 . . . . 0.0 114.117 -177.134 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.66 -47.77 79.08 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.117 1.767 . . . . 0.0 111.741 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 47.9 ttt85 -66.29 -55.26 16.9 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 126.265 1.826 . . . . 0.0 108.623 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -44.77 -58.55 3.02 Favored 'General case' 0 C--N 1.376 1.733 0 C-N-CA 129.303 3.041 . . . . 0.0 112.583 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -38.31 -57.87 1.06 Allowed 'General case' 0 C--N 1.368 1.402 0 C-N-CA 128.186 2.594 . . . . 0.0 113.235 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -69.33 -52.36 28.06 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 125.622 1.569 . . . . 0.0 112.16 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -55.29 -44.35 75.63 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 126.526 1.93 . . . . 0.0 112.261 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -49.66 -57.91 6.3 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 131.665 3.986 . . . . 0.0 108.975 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -42.76 -55.19 3.74 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.159 2.184 . . . . 0.0 111.542 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.474 1.91 . . . . 0.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.91 -47.46 64.63 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.019 2.528 . . . . 0.0 112.058 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.1 mt -60.08 -60.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.369 1.449 0 C-N-CA 126.343 1.857 . . . . 0.0 114.533 -178.864 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 113.809 1.041 . . . . 0.0 113.809 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -55.26 -48.75 73.55 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 126.894 2.078 . . . . 0.0 112.341 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -70.61 -49.88 43.02 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.562 1.545 . . . . 0.0 110.405 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -42.87 -52.83 4.94 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 129.954 3.302 . . . . 0.0 112.446 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -31.52 -55.06 0.26 Allowed 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.289 3.035 . . . . 0.0 115.043 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -51.81 12.3 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 126.911 2.084 . . . . 0.0 111.83 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -52.95 -43.61 66.46 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.878 2.471 . . . . 0.0 111.542 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -51.26 -57.57 8.49 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 131.388 3.875 . . . . 0.0 108.738 175.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -41.08 -56.04 2.42 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 127.152 2.181 . . . . 0.0 111.808 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.94 -52.25 63.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 127.319 2.248 . . . . 0.0 113.75 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.87 -48.61 66.99 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.595 1.958 . . . . 0.0 111.134 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.278 1.4 mt -58.02 -61.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.952 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 . . . . . 0 C--N 1.373 1.599 0 C-N-CA 127.745 2.418 . . . . 0.0 113.847 -177.753 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . 0.275 33.0 p . . . . . 0 CA--C 1.539 0.551 0 CA-C-O 117.332 -1.318 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -62.66 -55.1 30.02 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-N 121.03 1.741 . . . . 0.0 111.088 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -60.7 -46.17 91.39 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.701 1.6 . . . . 0.0 110.516 176.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -49.06 -57.65 6.23 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 128.658 2.783 . . . . 0.0 110.984 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -32.17 -55.13 0.32 Allowed 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.89 2.476 . . . . 0.0 114.905 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -76.36 -53.12 8.62 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 126.077 1.751 . . . . 0.0 111.139 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -50.33 -42.21 52.5 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.172 2.589 . . . . 0.0 112.099 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -52.31 -59.08 4.84 Favored 'General case' 0 C--N 1.371 1.5 1 C-N-CA 132.276 4.23 . . . . 0.0 109.284 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -42.44 -53.8 4.12 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 127.186 2.194 . . . . 0.0 111.492 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.93 -52.34 56.94 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 126.714 2.005 . . . . 0.0 113.46 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.88 -46.35 64.46 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.632 2.373 . . . . 0.0 112.392 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.28 1.1 mt -60.79 -57.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.377 1.77 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--N 1.37 1.482 0 C-N-CA 126.532 1.933 . . . . 0.0 114.869 -179.281 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 117.468 -1.253 . . . . 0.0 113.86 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -51.22 -51.07 57.41 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.921 1.688 . . . . 0.0 111.092 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -62.55 -58.34 7.91 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 128.013 2.525 . . . . 0.0 109.054 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -45.56 -55.27 6.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 128.899 2.879 . . . . 0.0 113.24 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -38.02 -60.77 0.72 Allowed 'General case' 0 C--N 1.369 1.423 0 C-N-CA 128.902 2.881 . . . . 0.0 113.048 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.271 29.1 ptt-85 -66.59 -52.58 43.77 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 125.132 1.373 . . . . 0.0 112.687 177.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -51.64 -47.16 63.83 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 128.078 2.551 . . . . 0.0 111.736 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -50.19 -60.56 2.85 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 131.504 3.922 . . . . 0.0 108.933 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -42.88 -55.72 3.58 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 126.394 1.878 . . . . 0.0 111.803 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.38 -53.21 58.29 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.063 1.745 . . . . 0.0 113.601 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.33 -48.36 46.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 127.831 2.452 . . . . 0.0 111.009 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.272 1.6 mt -58.2 -60.64 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.379 1.891 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.37 1.49 0 C-N-CA 126.806 2.043 . . . . 0.0 115.89 -178.795 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.33 -46.9 82.79 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 125.47 1.508 . . . . 0.0 111.731 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -67.03 -51.87 49.41 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 125.99 1.716 . . . . 0.0 108.731 174.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -43.35 -58.09 2.72 Favored 'General case' 0 C--N 1.38 1.911 0 C-N-CA 128.701 2.8 . . . . 0.0 110.904 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -35.55 -56.99 0.64 Allowed 'General case' 0 C--N 1.371 1.521 0 C-N-CA 128.218 2.607 . . . . 0.0 113.567 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -63.89 -57.25 10.37 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.69 2.396 . . . . 0.0 112.088 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -59.24 -44.04 92.37 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 128.938 2.895 . . . . 0.0 112.907 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.13 -57.27 8.07 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 131.29 3.836 . . . . 0.0 108.675 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -40.77 -56.88 2.07 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 128.094 2.558 . . . . 0.0 111.527 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.15 -52.34 59.53 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.852 2.061 . . . . 0.0 113.421 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.23 63.97 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 127.053 2.141 . . . . 0.0 112.139 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.3 0.8 OUTLIER -62.55 -57.69 10.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 177.056 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.37 1.459 0 C-N-CA 125.95 1.7 . . . . 0.0 114.637 -177.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.591 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.981 1 C3'-C2'-C1' 105.382 4.313 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.591 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.81 0 O5'-C5'-C4' 114.827 3.305 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.445 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.404 0 N19-C1'-C2' 119.202 3.626 . 0.079 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.463 " H2'" ' C6 ' ' A' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.301 3 O4'-C1'-N19 115.433 7.233 OUTLIER-EPSILON 0.093 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.463 ' C6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.958 2 P-O3'-C3' 133.964 11.886 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.248 1 P-O3'-C3' 124.971 4.393 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.412 1 P-O3'-C3' 126.108 5.34 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . 0.439 " H1'" ' CE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.544 2.642 0 C4'-C3'-C2' 106.687 3.987 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 1 P-O3'-C3' 127.731 6.693 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 0 O4'-C1'-N19 111.665 3.465 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.231 0 O4'-C1'-N19 111.3 3.1 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.79 0 C5'-C4'-O4' 113.777 3.269 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.933 1 O4'-C1'-N19 112.284 4.084 . 0.9 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.484 0 N19-C1'-C2' 119.306 3.691 . 0.664 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.005 1 O4'-C1'-N19 113.598 5.398 . 0.501 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.06 88.6 7.63 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 125.697 1.599 . . . . 0.0 112.534 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -99.14 -64.3 1.05 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.285 2.234 . . . . 0.0 106.07 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.0 p -64.56 -41.98 95.97 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 127.835 2.454 . . . . 0.0 114.866 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.45 -49.74 73.73 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 125.777 1.631 . . . . 0.0 111.338 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -65.69 -54.41 27.82 Favored 'General case' 0 C--N 1.373 1.603 0 C-N-CA 127.076 2.15 . . . . 0.0 108.602 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.439 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 8.7 t60 -42.91 -58.56 2.34 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 128.686 2.794 . . . . 0.0 112.682 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -32.69 -60.68 0.3 Allowed 'General case' 0 C--N 1.369 1.436 0 C-N-CA 128.899 2.879 . . . . 0.0 114.573 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -72.63 -48.32 40.47 Favored 'General case' 0 C--N 1.369 1.425 0 C-N-CA 126.584 1.954 . . . . 0.0 113.129 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -54.83 -44.63 74.07 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 127.322 2.249 . . . . 0.0 110.839 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -49.62 -60.87 2.48 Favored 'General case' 0 C--N 1.373 1.589 1 C-N-CA 132.219 4.208 . . . . 0.0 109.737 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -41.9 -54.03 3.58 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 127.129 2.172 . . . . 0.0 111.404 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.24 -52.28 55.52 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 127.588 2.355 . . . . 0.0 113.295 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.14 -48.31 44.89 Favored 'General case' 0 C--N 1.369 1.447 0 C-N-CA 128.026 2.531 . . . . 0.0 110.851 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.0 OUTLIER -60.99 -60.12 3.18 Favored 'Isoleucine or valine' 0 C--N 1.379 1.861 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 176.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -53.66 -13.26 0.63 Allowed 'General case' 0 C--N 1.37 1.46 0 C-N-CA 127.339 2.256 . . . . 0.0 116.035 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -77.93 -54.89 5.79 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 126.698 1.999 . . . . 0.0 107.031 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -58.88 -49.11 79.0 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 129.244 3.017 . . . . 0.0 112.266 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.262 1.727 0 C-N-CA 130.27 3.428 . . . . 0.0 112.582 179.64 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.536 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.11 2 C3'-C2'-C1' 106.105 5.116 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.536 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.563 4.049 0 P-O3'-C3' 123.852 3.46 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.465 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.702 0 O4'-C1'-N19 111.897 3.697 . 0.365 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.465 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.414 1 O4'-C1'-N19 112.504 4.304 . 0.343 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.425 H5'' HH22 ' B' ' 6' ' ' ARG . . . . . . . . 0 P--O3' 1.575 -2.686 2 P-O3'-C3' 127.275 6.313 . 0.232 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.204 1 P-O3'-C3' 126.68 5.816 . 0.363 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.682 1 P-O3'-C3' 126.904 6.003 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 C3'-C2'-C1' 104.428 3.253 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 1 P-O3'-C3' 126.049 5.291 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.139 0 O4'-C1'-N19 112.06 3.86 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.271 0 O4'-C1'-N19 111.615 3.415 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.941 0 C5'-C4'-O4' 113.902 3.359 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.852 1 O4'-C1'-N19 112.366 4.166 . 0.908 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.677 1 O4'-C1'-N19 112.207 4.007 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.043 1 O4'-C1'-N19 113.603 5.403 . 0.914 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.495 1.809 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.28 88.54 7.24 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 125.619 1.567 . . . . 0.0 109.33 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -95.01 -64.93 1.01 Allowed 'General case' 0 C--N 1.361 1.068 0 C-N-CA 127.008 2.123 . . . . 0.0 107.51 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 14.0 p -62.99 -44.26 96.53 Favored 'General case' 0 C--N 1.374 1.631 0 C-N-CA 126.725 2.01 . . . . 0.0 114.598 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -56.62 -49.22 75.6 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.762 2.025 . . . . 0.0 110.88 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.425 HH22 H5'' ' A' ' 8' ' ' ' U' . 39.1 ttt85 -66.28 -55.02 18.09 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.621 1.969 . . . . 0.0 108.892 175.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -43.58 -56.78 3.49 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 128.953 2.901 . . . . 0.0 112.272 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -38.68 -56.83 1.27 Allowed 'General case' 0 C--N 1.367 1.354 0 C-N-CA 128.177 2.591 . . . . 0.0 113.465 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -68.74 -53.38 22.28 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 127.221 2.209 . . . . 0.0 111.652 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -56.22 -45.47 79.92 Favored 'General case' 0 C--N 1.374 1.663 0 C-N-CA 126.888 2.075 . . . . 0.0 112.047 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -47.58 -58.43 4.26 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 131.463 3.905 . . . . 0.0 108.824 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -42.45 -56.14 3.15 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 127.381 2.272 . . . . 0.0 111.845 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.18 -49.96 65.54 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.493 1.917 . . . . 0.0 113.441 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.457 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -50.53 -48.52 57.12 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 127.89 2.476 . . . . 0.0 111.153 177.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.4 mt -57.79 -62.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.382 2.008 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 176.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -44.03 -45.56 7.99 Favored 'General case' 0 C--N 1.372 1.551 0 C-N-CA 127.178 2.191 . . . . 0.0 114.394 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.457 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 84.2 mtm180 -55.52 -59.94 4.13 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 127.928 2.491 . . . . 0.0 111.284 177.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -64.99 -54.08 36.04 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 128.821 2.848 . . . . 0.0 113.917 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.261 1.688 0 C-N-CA 130.989 3.716 . . . . 0.0 109.562 -179.16 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.591 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.058 1 O4'-C1'-N19 112.349 4.149 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.591 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.563 4.081 0 C5'-C4'-O4' 114.055 3.468 . 0.727 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.464 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.367 1 N19-C1'-C2' 120.036 4.148 . 0.346 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.464 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.302 1 O4'-C1'-N19 113.006 4.806 . 0.364 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.754 2 P-O3'-C3' 126.418 5.598 . 0.139 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.803 1 P-O5'-C5' 129.68 5.488 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.572 -2.944 1 P-O3'-C3' 127.379 6.399 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.572 -2.077 0 O4'-C1'-N19 111.953 3.753 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.005 2 P-O3'-C3' 129.152 7.877 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.343 1 O4'-C1'-N19 112.555 4.355 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.378 0 O5'-C5'-C4' 114.097 2.783 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.554 0 P-O3'-C3' 122.885 2.654 . 0.499 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.907 1 O4'-C1'-N19 112.639 4.439 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.753 1 O4'-C1'-N19 112.353 4.153 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 1 O4'-C1'-N19 113.714 5.514 . 0.877 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.38 81.94 4.44 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 125.691 1.596 . . . . 0.0 111.306 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -98.04 -57.9 2.11 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.465 2.306 . . . . 0.0 106.861 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 20.3 p -66.28 -39.23 89.26 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.35 2.26 . . . . 0.0 113.846 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -57.15 -52.05 66.87 Favored 'General case' 0 C--N 1.365 1.277 0 C-N-CA 125.695 1.598 . . . . 0.0 111.726 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.435 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 4.1 ptm85 -64.7 -45.71 85.43 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.495 1.118 . . . . 0.0 110.22 175.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -48.3 -58.59 4.37 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 128.37 2.668 . . . . 0.0 111.067 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -36.09 -61.11 0.51 Allowed 'General case' 0 C--N 1.37 1.497 0 C-N-CA 128.419 2.687 . . . . 0.0 113.087 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 tpt85 -64.68 -51.83 60.47 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 125.804 1.642 . . . . 0.0 113.301 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.25 95.06 Favored 'General case' 0 C--N 1.373 1.608 0 C-N-CA 126.267 1.827 . . . . 0.0 112.126 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -51.59 -57.48 9.0 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 131.218 3.807 . . . . 0.0 107.967 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' B' ' 15' ' ' ILE . 58.4 mttp -41.0 -56.4 2.28 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 127.352 2.261 . . . . 0.0 111.122 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.44 -51.53 65.32 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 127.401 2.28 . . . . 0.0 113.528 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.79 -46.94 59.84 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 127.423 2.289 . . . . 0.0 111.061 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.274 1.0 OUTLIER -60.42 -59.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.381 1.936 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.721 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -54.37 -12.69 0.72 Allowed 'General case' 0 C--N 1.372 1.547 0 C-N-CA 126.289 1.836 . . . . 0.0 115.859 -178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -73.71 -56.28 5.19 Favored 'General case' 0 C--N 1.376 1.718 0 C-N-CA 126.495 1.918 . . . . 0.0 106.551 174.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.84 -49.46 77.64 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 129.841 3.256 . . . . 0.0 112.602 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 C--O 1.26 1.611 0 C-N-CA 129.974 3.31 . . . . 0.0 112.699 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.589 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.13 1 O4'-C1'-N19 112.331 4.131 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.589 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.608 0 C5'-C4'-O4' 113.86 3.329 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.457 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.298 0 N19-C1'-C2' 119.252 3.658 . 0.396 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.487 " H2'" ' C6 ' ' A' ' 8' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.553 3.309 2 O4'-C1'-N19 115.206 7.006 OUTLIER-EPSILON 0.383 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.487 ' C6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.084 2 P-O3'-C3' 134.786 12.572 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.15 1 P-O3'-C3' 124.704 4.17 . 0.493 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.687 2 P-O3'-C3' 125.05 4.458 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . 0.403 H5'' ' HB2' ' B' ' 14' ' ' ALA . . . . . . . . 0 C5'--C4' 1.55 3.114 1 C4'-C3'-C2' 107.032 4.332 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.707 1 P-O3'-C3' 130.347 8.872 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.955 1 O4'-C1'-N19 112.418 4.218 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.416 0 O4'-C1'-N19 111.322 3.122 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.867 0 C5'-C4'-O4' 113.824 3.303 . 0.548 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.928 1 O4'-C1'-N19 112.548 4.348 . 0.938 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.623 1 O4'-C1'-N19 112.613 4.413 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.121 1 O4'-C1'-N19 113.659 5.459 . 0.906 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . 0.435 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 120.702 0.287 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.33 86.86 7.35 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 125.367 1.467 . . . . 0.0 109.225 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -95.9 -61.73 1.4 Allowed 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.817 2.447 . . . . 0.0 107.453 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p -64.05 -42.68 96.95 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 128.176 2.59 . . . . 0.0 113.981 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -54.79 -52.75 61.68 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 126.925 2.09 . . . . 0.0 110.609 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 25.1 ttt85 -63.35 -53.53 51.07 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 125.877 1.671 . . . . 0.0 109.1 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -43.46 -57.55 3.03 Favored 'General case' 0 C--N 1.38 1.913 0 C-N-CA 128.258 2.623 . . . . 0.0 112.54 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -36.79 -61.23 0.56 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.939 2.896 . . . . 0.0 114.025 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -53.71 44.02 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 125.327 1.451 . . . . 0.0 111.683 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -52.4 -46.94 66.51 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 128.071 2.548 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -49.32 -60.23 3.01 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 131.395 3.878 . . . . 0.0 109.278 176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -42.12 -55.56 3.19 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 127.083 2.153 . . . . 0.0 111.448 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.42 -53.91 44.89 Favored 'General case' 0 C--N 1.368 1.386 0 C-N-CA 126.218 1.807 . . . . 0.0 113.468 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.403 ' HB2' H5'' ' A' ' 11' ' ' ' C' . . . -48.22 -47.97 35.34 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 128.315 2.646 . . . . 0.0 111.812 177.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.292 1.0 OUTLIER -61.49 -58.82 5.84 Favored 'Isoleucine or valine' 0 C--N 1.378 1.835 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 176.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -55.85 -10.88 0.84 Allowed 'General case' 0 C--N 1.37 1.485 0 N-CA-C 116.085 1.883 . . . . 0.0 116.085 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -75.47 -55.67 5.45 Favored 'General case' 0 C--N 1.375 1.695 0 C-N-CA 126.948 2.099 . . . . 0.0 106.349 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -58.77 -48.63 80.56 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 129.968 3.307 . . . . 0.0 112.536 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 64.7 p . . . . . 0 C--O 1.261 1.683 0 C-N-CA 129.92 3.288 . . . . 0.0 112.367 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.541 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.979 2 C3'-C2'-C1' 106.081 5.09 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.541 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.88 0 C5'-C4'-O4' 113.94 3.385 . 0.254 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.47 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.085 0 N19-C1'-C2' 119.071 3.544 . 0.574 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.47 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.205 2 O4'-C1'-N19 115.226 7.026 OUTLIER-EPSILON 0.393 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.437 ' H6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.731 2 P-O3'-C3' 134.668 12.473 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.966 1 P-O5'-C5' 128.449 4.718 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.537 1 P-O3'-C3' 128.175 7.062 . 0.075 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . 0.43 " H1'" ' CE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.554 3.422 2 O4'-C1'-N19 112.62 4.42 . 0.016 4p . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.791 2 O4'-C1'-N19 112.564 4.364 . 0.014 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.995 0 O4'-C1'-N19 111.833 3.633 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.304 0 O4'-C1'-N19 111.844 3.644 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.972 0 C5'-C4'-O4' 113.887 3.348 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.014 0 O4'-C1'-N19 111.845 3.645 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.433 0 N19-C1'-C2' 119.243 3.652 . 0.773 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.051 1 O4'-C1'-N19 113.469 5.269 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . 0.409 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 1.3 t30 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.35 87.22 7.2 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 124.645 1.178 . . . . 0.0 109.003 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -97.46 -62.73 1.21 Allowed 'General case' 0 C--N 1.36 1.063 0 C-N-CA 127.732 2.413 . . . . 0.0 107.583 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -68.01 -43.21 79.35 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.393 2.277 . . . . 0.0 113.764 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -57.12 -44.95 83.79 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 125.584 1.553 . . . . 0.0 110.996 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -66.89 -57.39 7.06 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 126.736 2.014 . . . . 0.0 108.096 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.43 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 6.9 t60 -39.74 -56.23 1.77 Allowed 'General case' 0 C--N 1.379 1.851 0 C-N-CA 129.275 3.03 . . . . 0.0 113.202 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -34.66 -55.69 0.55 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 128.684 2.794 . . . . 0.0 114.838 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -73.38 -50.48 21.68 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 126.956 2.103 . . . . 0.0 111.539 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -55.84 -45.57 78.38 Favored 'General case' 0 C--N 1.372 1.572 0 C-N-CA 126.788 2.035 . . . . 0.0 111.401 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -46.77 -56.28 6.48 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 131.171 3.788 . . . . 0.0 108.968 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -43.22 -55.24 4.07 Favored 'General case' 0 C--N 1.374 1.653 0 C-N-CA 127.79 2.436 . . . . 0.0 111.549 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.83 -48.92 67.41 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.584 1.954 . . . . 0.0 112.958 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.484 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -49.28 -48.94 45.66 Favored 'General case' 0 C--N 1.365 1.279 0 C-N-CA 128.053 2.541 . . . . 0.0 111.644 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.273 1.3 mt -57.19 -59.17 3.48 Favored 'Isoleucine or valine' 0 C--N 1.38 1.892 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.402 ' HA ' ' OG1' ' B' ' 19' ' ' THR . 7.6 tp10 -48.93 -34.62 13.21 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 126.904 2.082 . . . . 0.0 114.086 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.484 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 87.0 mtm180 -61.35 -60.01 4.39 Favored 'General case' 0 C--N 1.379 1.885 0 C-N-CA 127.242 2.217 . . . . 0.0 110.083 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -54.77 -54.12 46.26 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 129.165 2.986 . . . . 0.0 112.287 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.402 ' OG1' ' HA ' ' B' ' 16' ' ' GLU . 8.4 p . . . . . 0 C--O 1.261 1.677 0 C-N-CA 130.486 3.514 . . . . 0.0 110.041 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.538 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.078 1 O4'-C1'-N19 112.342 4.142 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.577 ' H41' ' HA ' ' B' ' 1' ' ' ASN . . . . . . . . 0 C5'--C4' 1.557 3.635 0 O5'-C5'-C4' 114.639 3.171 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.46 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.565 0 N19-C1'-C2' 118.956 3.473 . 0.497 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.507 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.42 1 O4'-C1'-N19 113.919 5.719 . 0.434 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.422 ' H6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.058 2 C5'-C4'-O4' 115.137 4.241 . 0.81 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.158 1 P-O3'-C3' 124.792 4.244 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.571 -3.025 1 P-O3'-C3' 128.154 7.045 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.295 0 C3'-C2'-C1' 104.668 3.52 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.385 1 P-O3'-C3' 125.97 5.225 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.995 0 O4'-C1'-N19 111.516 3.316 . 0.762 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.248 0 O5'-C5'-C4' 114.058 2.756 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.51 0 C5'-C4'-C3' 111.997 -2.336 . 0.611 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 3.023 0 O4'-C1'-N19 111.919 3.719 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.67 0 N19-C1'-C2' 119.266 3.666 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.105 1 O4'-C1'-N19 113.611 5.411 . 0.876 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . 0.577 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 12.5 t30 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.48 92.88 9.35 Favored 'General case' 0 C--N 1.367 1.356 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -92.34 -68.09 0.82 Allowed 'General case' 0 C--N 1.362 1.127 0 C-N-CA 127.265 2.226 . . . . 0.0 108.502 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.6 p -65.13 -41.98 94.29 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 126.863 2.065 . . . . 0.0 113.949 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -58.38 -46.28 86.67 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.223 2.209 . . . . 0.0 110.548 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.507 HH12 " H3'" ' A' ' 7' ' ' ' C' . 42.2 ttt85 -67.52 -55.93 11.55 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.862 2.065 . . . . 0.0 108.166 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -42.62 -57.15 2.82 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 129.632 3.173 . . . . 0.0 112.12 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -39.59 -57.09 1.54 Allowed 'General case' 0 C--N 1.369 1.445 0 C-N-CA 127.337 2.255 . . . . 0.0 113.585 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -64.87 -56.48 13.15 Favored 'General case' 0 C--N 1.37 1.463 0 C-N-CA 126.069 1.747 . . . . 0.0 111.629 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -53.81 -44.48 70.22 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.924 2.49 . . . . 0.0 111.924 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -54.1 -63.51 1.13 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 131.489 3.916 . . . . 0.0 109.515 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -43.51 -52.82 5.93 Favored 'General case' 0 C--N 1.375 1.682 0 C-N-CA 127.297 2.239 . . . . 0.0 111.335 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 tp -60.78 -56.79 17.02 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.088 2.955 . . . . 0.0 112.171 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.456 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -50.6 -47.63 58.07 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 129.467 3.107 . . . . 0.0 112.046 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.27 2.0 mt -55.27 -57.84 6.17 Favored 'Isoleucine or valine' 0 C--N 1.378 1.826 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -50.08 -38.5 38.69 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 127.081 2.152 . . . . 0.0 113.724 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.456 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 52.2 mtm180 -59.78 -56.62 19.54 Favored 'General case' 0 C--N 1.375 1.706 0 C-N-CA 126.906 2.082 . . . . 0.0 110.518 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -57.66 -54.57 45.38 Favored 'General case' 0 C--N 1.367 1.346 0 C-N-CA 128.517 2.727 . . . . 0.0 112.226 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.261 1.659 0 C-N-CA 130.457 3.503 . . . . 0.0 110.343 178.363 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.556 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.017 0 O4'-C1'-N19 112.195 3.995 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.556 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.56 3.822 0 O5'-C5'-C4' 114.822 3.302 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.452 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.544 2.643 0 N19-C1'-C2' 119.065 3.541 . 0.497 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.543 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.418 3 O4'-C1'-N19 113.924 5.724 . 0.362 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.191 2 P-O3'-C3' 124.997 4.414 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.473 " H2'" " H2'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.553 3.317 1 P-O3'-C3' 127.101 6.167 . 0.78 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.473 " H2'" " H2'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.549 3.006 2 P-O3'-C3' 126.053 5.294 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.402 2 O4'-C1'-N19 112.862 4.662 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.822 0 O4'-C1'-N19 111.554 3.354 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.962 0 O4'-C1'-N19 111.755 3.555 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.154 0 O5'-C5'-C4' 114.164 2.832 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.759 0 C5'-C4'-O4' 113.842 3.316 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.912 1 O4'-C1'-N19 112.471 4.271 . 0.903 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.755 0 O4'-C1'-N19 111.884 3.684 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.204 1 O4'-C1'-N19 113.632 5.432 . 0.867 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . 0.517 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 7.4 t30 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 120.738 0.304 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.88 91.59 8.71 Favored 'General case' 0 C--N 1.37 1.482 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -63.21 1.18 Allowed 'General case' 0 C--N 1.361 1.091 0 C-N-CA 127.365 2.266 . . . . 0.0 109.692 -178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p -72.93 -41.38 64.59 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 126.822 2.049 . . . . 0.0 112.704 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -44.56 82.13 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.598 1.559 . . . . 0.0 109.881 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.543 HH12 " H3'" ' A' ' 7' ' ' ' C' . 41.6 ttt85 -65.6 -57.56 7.85 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 126.879 2.071 . . . . 0.0 108.215 174.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -43.28 -54.19 4.74 Favored 'General case' 0 C--N 1.381 1.959 0 C-N-CA 128.254 2.621 . . . . 0.0 112.068 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -43.55 -57.31 3.19 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 127.544 2.338 . . . . 0.0 112.113 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -61.4 -53.49 55.94 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 126.858 2.063 . . . . 0.0 112.077 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -58.78 -45.59 89.45 Favored 'General case' 0 C--N 1.372 1.586 0 C-N-CA 127.557 2.343 . . . . 0.0 111.751 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -50.03 -57.85 6.73 Favored 'General case' 0 C--N 1.372 1.57 0 C-N-CA 131.263 3.825 . . . . 0.0 108.945 177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -42.56 -53.02 4.56 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 127.375 2.27 . . . . 0.0 111.141 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -66.72 -51.63 53.78 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 127.02 2.128 . . . . 0.0 112.607 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.35 -48.13 25.69 Favored 'General case' 0 C--N 1.367 1.358 0 C-N-CA 128.63 2.772 . . . . 0.0 110.998 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.266 1.0 OUTLIER -60.42 -60.32 2.77 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -50.8 -33.87 25.24 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 126.575 1.95 . . . . 0.0 114.645 -178.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -56.36 -48.68 76.32 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 126.913 2.085 . . . . 0.0 109.14 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.82 -48.59 65.82 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 129.032 2.933 . . . . 0.0 111.68 176.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.262 1.723 0 C-N-CA 129.008 2.923 . . . . 0.0 111.846 -179.615 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.575 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.053 2 C3'-C2'-C1' 105.689 4.655 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.589 ' H41' ' HA ' ' B' ' 1' ' ' ASN . . . . . . . . 0 C5'--C4' 1.558 3.72 0 C5'-C4'-O4' 113.781 3.272 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.465 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.162 1 N19-C1'-C2' 119.856 4.035 . 0.333 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.465 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.369 1 O4'-C1'-N19 114.248 6.048 . 0.428 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.439 ' H6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.551 3.15 0 C5'-C4'-O4' 114.572 3.837 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.042 1 P-O3'-C3' 127.434 6.445 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.766 2 P-O3'-C3' 125.354 4.711 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.515 1 C4'-C3'-C2' 107.28 4.58 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.536 1 P-O3'-C3' 128.561 7.384 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.892 0 O4'-C1'-N19 111.955 3.755 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.285 0 O4'-C1'-N19 111.391 3.191 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.705 0 C5'-C4'-O4' 114.029 3.449 . 0.498 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.896 1 O4'-C1'-N19 112.97 4.77 . 0.917 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.698 0 O4'-C1'-N19 112.061 3.861 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.222 1 O4'-C1'-N19 113.522 5.322 . 0.88 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . 0.589 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 14.7 t30 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.23 88.02 7.36 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -95.71 -60.79 1.58 Allowed 'General case' 0 C--N 1.362 1.149 0 C-N-CA 127.781 2.432 . . . . 0.0 108.307 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.4 p -69.23 -38.59 78.59 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 127.331 2.252 . . . . 0.0 113.473 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -56.89 -49.66 74.88 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 125.869 1.668 . . . . 0.0 111.571 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 ptm85 -68.65 -46.3 69.5 Favored 'General case' 0 C--N 1.376 1.72 0 C-N-CA 124.883 1.273 . . . . 0.0 110.312 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -47.93 -57.36 5.81 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 128.249 2.62 . . . . 0.0 111.515 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -38.66 -55.45 1.45 Allowed 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.294 2.638 . . . . 0.0 113.275 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 mtm-85 -67.63 -55.62 12.59 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 126.469 1.908 . . . . 0.0 111.322 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -52.29 -45.68 65.62 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 128.041 2.537 . . . . 0.0 112.091 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -49.71 -60.37 2.95 Favored 'General case' 0 C--N 1.372 1.547 0 C-N-CA 131.484 3.913 . . . . 0.0 109.374 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -42.4 -53.86 4.06 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 127.119 2.168 . . . . 0.0 111.881 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.65 -52.99 47.4 Favored 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.132 1.773 . . . . 0.0 113.131 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.39 42.29 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.791 2.437 . . . . 0.0 111.463 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.281 1.2 mt -58.65 -62.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.382 1.99 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 176.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -44.38 -46.35 9.37 Favored 'General case' 0 C--N 1.371 1.523 0 C-N-CA 127.241 2.217 . . . . 0.0 114.712 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -54.74 -58.94 5.57 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 128.117 2.567 . . . . 0.0 111.48 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.79 -54.19 30.34 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 129.118 2.967 . . . . 0.0 113.569 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.262 1.725 0 C-N-CA 131.106 3.762 . . . . 0.0 110.004 -178.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.58 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.085 1 O4'-C1'-N19 112.216 4.016 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.58 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.557 3.631 0 C5'-C4'-O4' 113.895 3.353 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.464 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.542 2.439 0 N19-C1'-C2' 119.413 3.758 . 0.605 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.464 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.394 1 O4'-C1'-N19 113.03 4.83 . 0.405 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.925 2 P-O3'-C3' 127.036 6.113 . 0.21 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.566 -3.396 1 P-O3'-C3' 127.927 6.855 . 0.266 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 3 P-O3'-C3' 125.765 5.054 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . 0.56 " H1'" ' CE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.538 2.149 1 O4'-C1'-N19 112.339 4.139 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.017 2 P-O3'-C3' 131.333 9.694 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.845 1 O4'-C1'-N19 112.297 4.097 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.143 0 O4'-C1'-N19 111.4 3.2 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . 0.4 " H2'" ' C6 ' ' A' ' 16' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.546 2.794 0 C5'-C4'-O4' 114.006 3.433 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . 0.4 ' C6 ' " H2'" ' A' ' 15' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.448 2.852 1 O4'-C1'-N19 112.484 4.284 . 0.896 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.654 0 O4'-C1'-N19 112.122 3.922 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.046 1 O4'-C1'-N19 113.607 5.407 . 0.897 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . 0.549 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 4.2 t30 . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.85 85.87 6.84 Favored 'General case' 0 C--N 1.368 1.377 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -97.03 -59.08 1.87 Allowed 'General case' 0 C--N 1.362 1.111 0 C-N-CA 128.148 2.579 . . . . 0.0 108.229 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p -63.83 -41.65 97.8 Favored 'General case' 0 C--N 1.373 1.601 0 C-N-CA 128.309 2.644 . . . . 0.0 114.007 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -56.58 -50.14 72.83 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 127.634 2.374 . . . . 0.0 111.793 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -70.25 -47.3 61.94 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 125.341 1.456 . . . . 0.0 110.357 175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.56 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 2.9 t60 -45.98 -53.45 10.03 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 129.065 2.946 . . . . 0.0 111.735 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -31.35 -58.9 0.24 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 128.726 2.811 . . . . 0.0 114.519 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -70.44 -52.62 20.89 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 126.712 2.005 . . . . 0.0 111.713 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -52.24 -41.77 63.06 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.719 2.808 . . . . 0.0 111.936 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -52.33 -58.46 6.59 Favored 'General case' 0 C--N 1.371 1.505 1 C-N-CA 132.138 4.175 . . . . 0.0 108.895 175.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -41.35 -54.08 3.12 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 126.495 1.918 . . . . 0.0 111.437 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.57 -55.76 24.24 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 126.692 1.997 . . . . 0.0 113.348 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.48 56.95 Favored 'General case' 0 C--N 1.369 1.42 0 C-N-CA 126.98 2.112 . . . . 0.0 112.27 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.276 1.3 mt -59.49 -58.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -48.18 -35.99 12.77 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 127.354 2.262 . . . . 0.0 113.605 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 -57.89 -59.88 4.56 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 127.702 2.401 . . . . 0.0 110.273 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.55 -56.26 23.49 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 129.645 3.178 . . . . 0.0 112.331 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 C--O 1.261 1.673 0 C-N-CA 130.577 3.551 . . . . 0.0 110.475 178.408 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.587 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.09 0 O4'-C1'-N19 112.03 3.83 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.587 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.019 0 O5'-C5'-C4' 115.074 3.482 . 0.616 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.467 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.658 0 N19-C1'-C2' 119.356 3.723 . 0.515 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.519 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.271 3 O4'-C1'-N19 114.095 5.895 . 0.41 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.119 2 P-O3'-C3' 125.698 4.999 . 0.741 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.111 1 P-O3'-C3' 125.337 4.697 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.509 2 P-O3'-C3' 126.575 5.729 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.735 0 C4'-C3'-C2' 105.997 3.297 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.688 1 P-O3'-C3' 126.868 5.973 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.155 0 O4'-C1'-N19 111.51 3.31 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.873 0 O4'-C1'-N19 111.129 2.929 . 0.641 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.536 0 C5'-C4'-O4' 113.803 3.288 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.954 1 O4'-C1'-N19 112.346 4.146 . 0.894 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.634 1 N19-C1'-C2' 119.922 4.076 . 0.641 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.082 1 O4'-C1'-N19 113.558 5.358 . 0.49 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 120.617 0.246 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.27 87.82 7.42 Favored 'General case' 0 C--N 1.368 1.407 0 C-N-CA 125.258 1.423 . . . . 0.0 109.245 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -96.71 -63.34 1.15 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.056 2.143 . . . . 0.0 107.239 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.2 p -67.07 -43.76 81.8 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 127.138 2.175 . . . . 0.0 113.882 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.5 mmp_? -55.36 -50.16 70.4 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 125.335 1.454 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.519 HH12 " H3'" ' A' ' 7' ' ' ' C' . 46.4 ttt85 -62.2 -56.35 19.58 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 126.861 2.064 . . . . 0.0 108.874 175.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -43.21 -58.45 2.5 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 129.132 2.973 . . . . 0.0 111.952 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -37.95 -57.22 1.06 Allowed 'General case' 0 C--N 1.367 1.356 0 C-N-CA 127.9 2.48 . . . . 0.0 113.394 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.28 -55.72 12.75 Favored 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.82 2.048 . . . . 0.0 111.905 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -54.74 -42.02 71.1 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 127.572 2.349 . . . . 0.0 111.533 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -55.44 -62.07 1.92 Allowed 'General case' 0 C--N 1.369 1.437 0 C-N-CA 131.506 3.923 . . . . 0.0 109.319 177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -43.33 -52.8 5.63 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 126.831 2.052 . . . . 0.0 111.425 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.24 -56.19 23.4 Favored 'General case' 0 C--N 1.362 1.114 0 C-N-CA 129.129 2.972 . . . . 0.0 111.882 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.532 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . . . -50.28 -47.77 55.24 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 129.661 3.185 . . . . 0.0 112.369 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.7 mt -54.86 -57.98 5.35 Favored 'Isoleucine or valine' 0 C--N 1.378 1.828 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 178.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -51.97 -40.85 61.53 Favored 'General case' 0 C--N 1.371 1.502 0 C-N-CA 126.803 2.041 . . . . 0.0 113.282 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.532 ' HE ' ' HA ' ' B' ' 14' ' ' ALA . 82.8 mtm180 -58.21 -54.99 40.79 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 127.424 2.29 . . . . 0.0 110.817 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.65 -54.75 42.82 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.982 2.513 . . . . 0.0 112.173 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.261 1.684 0 C-N-CA 130.403 3.481 . . . . 0.0 110.371 178.619 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.574 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 1.976 1 C3'-C2'-C1' 105.173 4.081 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.574 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.794 0 C5'-C4'-O4' 114.074 3.481 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.467 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.417 0 N19-C1'-C2' 118.717 3.323 . 0.522 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.478 ' C5 ' ' HD2' ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.307 3 O4'-C1'-N19 113.891 5.691 . 0.436 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.265 2 P-O3'-C3' 126.234 5.445 . 0.767 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 0 OP1-P-OP2 116.629 -1.981 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.654 1 P-O3'-C3' 126.373 5.561 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.646 0 C4'-C3'-C2' 106.451 3.751 OUTLIER-DELTA 0.0 OUTLIER '7D dist 4p' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.267 1 P-O3'-C3' 125.387 4.739 . 0.025 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.048 1 O4'-C1'-N19 112.62 4.42 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.333 0 O4'-C1'-N19 111.938 3.738 . 0.86 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . 0.401 " H2'" ' C6 ' ' A' ' 16' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.548 2.887 0 C5'-C4'-O4' 113.954 3.396 . 0.444 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . 0.401 ' C6 ' " H2'" ' A' ' 15' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.451 3.106 0 O4'-C1'-N19 112.126 3.926 . 0.902 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.461 0 O4'-C1'-N19 112.131 3.931 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.071 2 O4'-C1'-N19 114.261 6.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . 0.545 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 6.1 p-10 . . . . . 0 N--CA 1.495 1.813 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.2 90.07 8.03 Favored 'General case' 0 C--N 1.376 1.722 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.37 -65.62 0.96 Allowed 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.984 2.113 . . . . 0.0 108.03 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.4 p -67.45 -44.3 79.0 Favored 'General case' 0 C--N 1.374 1.648 0 C-N-CA 127.042 2.137 . . . . 0.0 113.61 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -55.29 -44.35 75.64 Favored 'General case' 0 C--N 1.367 1.339 0 C-N-CA 126.228 1.811 . . . . 0.0 110.491 177.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.478 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 29.8 ttt85 -67.61 -60.22 2.72 Favored 'General case' 0 C--N 1.371 1.527 0 C-N-CA 127.593 2.357 . . . . 0.0 107.921 175.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -39.88 -54.43 2.16 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 130.018 3.327 . . . . 0.0 112.903 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.57 -51.56 1.18 Allowed 'General case' 0 C--N 1.366 1.301 0 C-N-CA 128.035 2.534 . . . . 0.0 114.22 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -78.18 -51.17 10.62 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 127.465 2.306 . . . . 0.0 111.134 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.494 HH12 HH22 ' B' ' 17' ' ' ARG . 0.0 OUTLIER -52.62 -44.45 66.06 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 128.451 2.701 . . . . 0.0 111.889 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -51.11 -57.92 7.44 Favored 'General case' 0 C--N 1.37 1.491 1 C-N-CA 132.261 4.225 . . . . 0.0 108.215 175.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' B' ' 15' ' ' ILE . 95.9 mttt -42.33 -56.92 2.78 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 127.433 2.293 . . . . 0.0 111.37 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.31 -51.77 66.35 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.771 2.028 . . . . 0.0 113.274 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.92 -48.99 51.44 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.086 2.154 . . . . 0.0 111.297 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.277 1.1 mt -58.5 -60.38 2.38 Favored 'Isoleucine or valine' 0 C--N 1.379 1.868 0 C-N-CA 124.332 1.053 . . . . 0.0 108.345 177.466 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.67 -36.64 16.5 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 127.068 2.147 . . . . 0.0 114.649 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.494 HH22 HH12 ' B' ' 10' ' ' ARG . 84.2 mtm-85 -61.16 -58.45 8.29 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 126.601 1.96 . . . . 0.0 110.626 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.83 -53.88 51.37 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.836 2.854 . . . . 0.0 112.201 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 C--O 1.261 1.673 0 C-N-CA 130.286 3.434 . . . . 0.0 110.106 178.014 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.591 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.038 2 C3'-C2'-C1' 105.196 4.107 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.591 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.558 3.683 0 C5'-C4'-O4' 113.951 3.394 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.469 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.125 0 N19-C1'-C2' 119.511 3.819 . 0.493 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.469 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.359 3 O4'-C1'-N19 114.085 5.885 . 0.535 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.206 2 P-O3'-C3' 124.928 4.357 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.337 1 P-O3'-C3' 127.765 6.721 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.73 1 P-O3'-C3' 125.778 5.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.244 0 C4'-C3'-C2' 106.505 3.805 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.903 1 P-O3'-C3' 130.874 9.311 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.16 0 O4'-C1'-N19 111.337 3.137 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.886 0 C5'-C4'-C3' 111.076 -2.949 . 0.694 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.668 0 C5'-C4'-O4' 113.68 3.2 . 0.514 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 1 O4'-C1'-N19 112.445 4.245 . 0.914 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.739 1 O4'-C1'-N19 112.738 4.538 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.084 1 O4'-C1'-N19 113.667 5.467 . 0.907 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 6.4 t30 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.617 0.246 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.64 85.53 7.09 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -96.76 -58.53 2.02 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.815 2.446 . . . . 0.0 109.438 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p -71.9 -38.55 69.93 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 127.331 2.252 . . . . 0.0 113.166 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -56.39 -48.65 76.46 Favored 'General case' 0 C--N 1.365 1.259 0 C-N-CA 126.267 1.827 . . . . 0.0 111.548 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.407 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 7.1 ptm85 -70.41 -45.04 66.7 Favored 'General case' 0 C--N 1.375 1.703 0 C-N-CA 125.109 1.363 . . . . 0.0 110.415 174.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -48.58 -56.29 8.82 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 128.353 2.661 . . . . 0.0 110.938 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -38.24 -55.44 1.32 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 128.583 2.753 . . . . 0.0 112.869 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -65.04 -57.69 8.02 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.227 2.211 . . . . 0.0 111.645 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 25.8 ttt85 -54.98 -43.38 73.49 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 128.445 2.698 . . . . 0.0 112.462 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -51.99 -59.01 4.84 Favored 'General case' 0 C--N 1.373 1.628 0 C-N-CA 131.274 3.829 . . . . 0.0 108.855 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -41.91 -55.17 3.2 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 127.098 2.159 . . . . 0.0 111.478 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.91 -52.42 59.95 Favored 'General case' 0 C--N 1.368 1.384 0 C-N-CA 126.196 1.799 . . . . 0.0 113.806 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.91 -46.68 60.84 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 127.534 2.334 . . . . 0.0 111.888 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.282 1.0 OUTLIER -60.29 -58.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.379 1.862 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.87 -9.25 0.76 Allowed 'General case' 0 C--N 1.369 1.453 0 C-N-CA 125.958 1.703 . . . . 0.0 115.46 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -76.21 -57.26 3.97 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 126.583 1.953 . . . . 0.0 105.827 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -57.28 -49.18 76.89 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 130.441 3.497 . . . . 0.0 112.831 178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 C--O 1.261 1.675 0 C-N-CA 130.165 3.386 . . . . 0.0 112.638 179.766 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.591 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.079 1 C3'-C2'-C1' 105.508 4.453 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.591 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.03 0 P-O3'-C3' 123.955 3.546 . 0.501 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.46 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.54 2.307 0 N19-C1'-C2' 119.197 3.623 . 0.585 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.504 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.554 3.35 3 O4'-C1'-N19 113.947 5.747 . 0.48 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.451 2 P-O3'-C3' 125.303 4.669 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.515 " H2'" " H2'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.554 3.401 1 P-O3'-C3' 128.97 7.725 . 0.683 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.515 " H2'" " H2'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.37 2 P-O3'-C3' 126.196 5.413 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.142 2 O4'-C1'-N19 112.886 4.686 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.51 1 P-O3'-C3' 124.725 4.188 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.928 1 O4'-C1'-N19 112.608 4.408 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.477 0 O5'-C5'-C4' 113.735 2.525 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.532 0 N19-C1'-C2' 118.195 2.997 . 0.432 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.929 0 O4'-C1'-N19 111.963 3.763 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.401 0 N19-C1'-C2' 119.336 3.71 . 0.68 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.033 1 O4'-C1'-N19 113.605 5.405 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.783 0.325 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.87 87.67 7.36 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 125.689 1.596 . . . . 0.0 108.772 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -98.05 -60.06 1.63 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 128.093 2.557 . . . . 0.0 107.876 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.3 p -67.34 -42.88 82.83 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 127.576 2.35 . . . . 0.0 113.871 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -53.05 -50.84 63.49 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 126.363 1.865 . . . . 0.0 112.027 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.504 HH12 " H3'" ' A' ' 7' ' ' ' C' . 7.7 ptm85 -69.37 -45.32 69.63 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 125.275 1.43 . . . . 0.0 110.647 175.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -48.65 -54.03 16.31 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 128.239 2.616 . . . . 0.0 110.751 178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -39.03 -53.14 1.81 Allowed 'General case' 0 C--N 1.369 1.431 0 C-N-CA 128.443 2.697 . . . . 0.0 112.875 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -69.36 -54.61 13.64 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 127.31 2.244 . . . . 0.0 111.534 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -53.74 -44.42 69.93 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 128.801 2.84 . . . . 0.0 112.295 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -51.88 -56.93 11.1 Favored 'General case' 0 C--N 1.37 1.475 1 C-N-CA 131.729 4.011 . . . . 0.0 108.528 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -42.04 -54.07 3.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 127.14 2.176 . . . . 0.0 111.384 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.05 -53.54 48.31 Favored 'General case' 0 C--N 1.368 1.402 0 C-N-CA 126.456 1.902 . . . . 0.0 113.321 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.41 -46.4 56.24 Favored 'General case' 0 C--N 1.369 1.448 0 C-N-CA 127.443 2.297 . . . . 0.0 112.008 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -61.08 -58.12 8.99 Favored 'Isoleucine or valine' 0 C--N 1.376 1.751 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 176.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -51.87 -27.65 13.44 Favored 'General case' 0 C--N 1.37 1.468 0 C-N-CA 126.041 1.737 . . . . 0.0 114.372 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -57.52 -51.66 68.57 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 126.549 1.94 . . . . 0.0 108.399 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -66.53 -48.47 69.63 Favored 'General case' 0 C--N 1.367 1.349 0 C-N-CA 130.18 3.392 . . . . 0.0 112.41 177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--O 1.261 1.71 0 C-N-CA 129.077 2.951 . . . . 0.0 112.194 -179.34 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.563 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.034 1 C3'-C2'-C1' 105.821 4.801 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.563 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.561 3.895 0 C5'-C4'-O4' 113.971 3.408 . 0.567 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.449 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.542 2.469 0 N19-C1'-C2' 119.612 3.882 . 0.461 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.449 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.418 1 O4'-C1'-N19 112.719 4.519 . 0.387 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.438 H5'' HH22 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.547 2.872 2 P-O3'-C3' 127.273 6.311 . 0.108 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.073 1 P-O3'-C3' 125.861 5.134 . 0.325 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.906 2 P-O3'-C3' 125.026 4.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 1 O4'-C1'-N19 112.36 4.16 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.578 -2.436 1 P-O3'-C3' 129.693 8.328 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.929 1 O4'-C1'-N19 112.786 4.586 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.341 0 O5'-C5'-C4' 114.268 2.906 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.641 0 N19-C1'-C2' 118.099 2.937 . 0.448 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.962 0 O4'-C1'-N19 111.879 3.679 . 0.384 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.511 0 N19-C1'-C2' 119.411 3.757 . 0.702 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.054 1 O4'-C1'-N19 113.41 5.21 . 0.547 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . 0.479 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 7.4 p-10 . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.45 88.0 7.55 Favored 'General case' 0 C--N 1.372 1.578 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -95.04 -63.93 1.12 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 126.629 1.972 . . . . 0.0 107.623 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 18.6 p -65.25 -45.73 83.39 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 126.933 2.093 . . . . 0.0 113.331 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -54.68 -42.93 71.99 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 126.196 1.798 . . . . 0.0 111.912 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.438 HH22 H5'' ' A' ' 8' ' ' ' U' . 37.6 ttt85 -70.21 -57.87 4.43 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.733 2.413 . . . . 0.0 108.196 174.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -41.99 -55.38 3.17 Favored 'General case' 0 C--N 1.378 1.809 0 C-N-CA 129.867 3.267 . . . . 0.0 112.791 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -37.41 -51.28 1.11 Allowed 'General case' 0 C--N 1.369 1.415 0 C-N-CA 128.547 2.739 . . . . 0.0 113.744 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 68.2 mtm-85 -75.39 -54.02 7.75 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 126.526 1.93 . . . . 0.0 111.348 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -51.57 -44.9 62.92 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 128.131 2.573 . . . . 0.0 112.306 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -50.81 -58.85 4.93 Favored 'General case' 0 C--N 1.368 1.406 0 C-N-CA 131.582 3.953 . . . . 0.0 109.003 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -42.63 -53.84 4.26 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 127.31 2.244 . . . . 0.0 111.577 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.37 -53.62 45.74 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 126.377 1.871 . . . . 0.0 113.287 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.0 53.89 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 127.51 2.324 . . . . 0.0 111.77 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.283 1.0 OUTLIER -60.45 -58.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.378 1.827 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 176.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -52.06 -27.75 14.93 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.141 1.776 . . . . 0.0 114.618 -178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -58.37 -52.66 64.66 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 126.332 1.853 . . . . 0.0 108.204 175.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.6 -48.86 73.37 Favored 'General case' 0 C--N 1.367 1.363 0 C-N-CA 129.842 3.257 . . . . 0.0 112.357 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--O 1.261 1.66 0 C-N-CA 129.051 2.94 . . . . 0.0 112.141 -179.41 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.573 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.124 1 O4'-C1'-N19 112.21 4.01 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.573 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.776 0 O5'-C5'-C4' 114.807 3.291 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.49 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.396 0 N19-C1'-C2' 119.225 3.641 . 0.557 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.49 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.217 2 O4'-C1'-N19 114.003 5.803 . 0.56 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.41 ' H6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.048 1 P-O3'-C3' 124.702 4.168 . 0.763 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.22 0 C4'-C3'-C2' 105.454 2.754 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.318 1 P-O3'-C3' 126.717 5.848 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.832 2 O4'-C1'-N19 112.916 4.716 OUTLIER-DELTA 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.958 2 P-O3'-C3' 126.643 5.785 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.097 1 O4'-C1'-N19 112.256 4.056 . 0.742 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.555 3.46 0 O4'-C1'-N19 111.803 3.603 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.032 0 C5'-C4'-O4' 114.079 3.485 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.84 1 O4'-C1'-N19 112.342 4.142 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.709 1 O4'-C1'-N19 112.312 4.112 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.081 1 O4'-C1'-N19 113.408 5.208 . 0.873 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.996 0.427 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.26 25.31 1.01 Allowed 'General case' 0 C--N 1.367 1.362 0 C-N-CA 125.231 1.412 . . . . 0.0 114.71 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -43.87 -50.53 7.95 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.631 3.173 . . . . 0.0 113.308 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 16.0 p -75.99 -39.83 55.01 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 126.701 2.001 . . . . 0.0 113.537 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -57.07 -52.23 66.11 Favored 'General case' 0 C--N 1.372 1.556 0 C-N-CA 125.112 1.365 . . . . 0.0 110.741 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.411 ' HD2' ' C5 ' ' A' ' 7' ' ' ' C' . 5.9 ptm85 -63.28 -47.09 83.78 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.308 1.443 . . . . 0.0 110.909 175.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -50.13 -55.75 13.74 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 128.007 2.523 . . . . 0.0 111.519 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -41.49 -56.74 2.44 Favored 'General case' 0 C--N 1.369 1.437 0 C-N-CA 127.784 2.434 . . . . 0.0 113.178 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -61.68 -55.55 29.22 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 126.858 2.063 . . . . 0.0 111.225 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -54.34 -47.22 72.79 Favored 'General case' 0 C--N 1.372 1.579 0 C-N-CA 128.183 2.593 . . . . 0.0 111.912 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -49.52 -59.03 4.12 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 131.262 3.825 . . . . 0.0 108.344 177.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' B' ' 15' ' ' ILE . 65.9 mttm -40.82 -56.01 2.31 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 127.254 2.222 . . . . 0.0 111.881 177.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -63.81 -53.76 45.79 Favored 'General case' 0 C--N 1.368 1.39 0 C-N-CA 126.292 1.837 . . . . 0.0 113.084 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.68 -47.96 40.43 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 127.351 2.26 . . . . 0.0 111.682 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' B' ' 12' ' ' LYS 0.278 0.9 OUTLIER -60.83 -59.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.54 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -47.91 -38.89 17.48 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 127.404 2.282 . . . . 0.0 114.117 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -57.45 -58.21 9.3 Favored 'General case' 0 C--N 1.374 1.636 0 C-N-CA 127.858 2.463 . . . . 0.0 110.599 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -57.42 -56.02 27.33 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 129.081 2.952 . . . . 0.0 112.112 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.261 1.674 0 C-N-CA 130.462 3.505 . . . . 0.0 110.491 178.377 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.546 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.536 2.032 1 C3'-C2'-C1' 105.305 4.227 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.585 ' H41' ' HA ' ' B' ' 1' ' ' ASN . . . . . . . . 0 C5'--C4' 1.559 3.737 1 P-O3'-C3' 124.719 4.182 . 0.342 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.448 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.523 0 O4'-C1'-N19 111.727 3.527 . 0.479 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.505 " H3'" HH12 ' B' ' 6' ' ' ARG . . . . . . . . 0 C5'--C4' 1.553 3.313 1 O4'-C1'-N19 113.934 5.734 . 0.323 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . 0.407 ' H6 ' " H2'" ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.55 3.064 1 C5'-C4'-O4' 115.061 4.186 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.406 " H2'" " H3'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.103 1 P-O3'-C3' 125.564 4.887 . 0.786 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.406 " H3'" " H2'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.681 2 P-O3'-C3' 125.207 4.589 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . 0.432 H5'' ' HB2' ' B' ' 14' ' ' ALA . . . . . . . . 0 C5'--C4' 1.544 2.651 0 C4'-C3'-C2' 106.298 3.598 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.706 1 P-O3'-C3' 129.506 8.172 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.148 1 O4'-C1'-N19 112.445 4.245 . 0.829 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.36 0 O5'-C5'-C4' 113.94 2.672 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.519 0 N19-C1'-C2' 117.736 2.71 . 0.518 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.028 0 O4'-C1'-N19 112.071 3.871 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.473 1 N19-C1'-C2' 119.868 4.042 . 0.64 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.974 1 O4'-C1'-N19 113.69 5.49 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . 0.585 ' HA ' ' H41' ' A' ' 5' ' ' ' C' . 10.2 t30 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.43 92.8 9.21 Favored 'General case' 0 C--N 1.369 1.447 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -92.47 -69.22 0.75 Allowed 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.85 2.06 . . . . 0.0 107.466 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.4 p -63.15 -44.34 95.79 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.003 1.721 . . . . 0.0 113.729 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.66 -47.77 79.08 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 126.117 1.767 . . . . 0.0 111.741 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.505 HH12 " H3'" ' A' ' 7' ' ' ' C' . 47.9 ttt85 -66.29 -55.26 16.9 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 126.265 1.826 . . . . 0.0 108.623 174.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.42 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 18.5 t60 -44.77 -58.55 3.02 Favored 'General case' 0 C--N 1.376 1.733 0 C-N-CA 129.303 3.041 . . . . 0.0 112.583 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -38.31 -57.87 1.06 Allowed 'General case' 0 C--N 1.368 1.402 0 C-N-CA 128.186 2.594 . . . . 0.0 113.235 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -69.33 -52.36 28.06 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 125.622 1.569 . . . . 0.0 112.16 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -55.29 -44.35 75.63 Favored 'General case' 0 C--N 1.374 1.632 0 C-N-CA 126.526 1.93 . . . . 0.0 112.261 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -49.66 -57.91 6.3 Favored 'General case' 0 C--N 1.371 1.532 0 C-N-CA 131.665 3.986 . . . . 0.0 108.975 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -42.76 -55.19 3.74 Favored 'General case' 0 C--N 1.377 1.777 0 C-N-CA 127.159 2.184 . . . . 0.0 111.542 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -65.57 -48.41 72.47 Favored 'General case' 0 C--N 1.369 1.442 0 C-N-CA 126.474 1.91 . . . . 0.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.432 ' HB2' H5'' ' A' ' 11' ' ' ' C' . . . -51.91 -47.46 64.63 Favored 'General case' 0 C--N 1.363 1.154 0 C-N-CA 128.019 2.528 . . . . 0.0 112.058 177.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.286 1.1 mt -60.08 -60.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.376 1.742 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -53.28 -28.97 30.68 Favored 'General case' 0 C--N 1.369 1.449 0 C-N-CA 126.343 1.857 . . . . 0.0 114.533 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -59.58 -50.69 72.89 Favored 'General case' 0 C--N 1.377 1.762 0 C-N-CA 126.779 2.032 . . . . 0.0 108.441 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.44 -49.81 67.75 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 128.634 2.774 . . . . 0.0 111.925 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 C--O 1.262 1.714 0 C-N-CA 129.146 2.978 . . . . 0.0 112.147 -179.465 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.566 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.151 1 C3'-C2'-C1' 105.574 4.526 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.566 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.747 0 C5'-C4'-O4' 113.787 3.276 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.477 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.097 0 N19-C1'-C2' 119.39 3.744 . 0.343 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.477 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.552 3.267 2 O4'-C1'-N19 114.297 6.097 . 0.315 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.025 1 C5'-C4'-O4' 114.839 4.028 . 0.683 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.26 1 P-O3'-C3' 128.129 7.024 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.537 2 P-O3'-C3' 125.353 4.711 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . 0.452 " H1'" ' CE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.543 2.527 1 C4'-C3'-C2' 107.176 4.476 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.564 -3.617 1 P-O3'-C3' 128.914 7.678 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.062 0 O4'-C1'-N19 111.648 3.448 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.129 0 C5'-C4'-C3' 109.863 -3.758 . 0.375 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.578 -2.378 0 P-O3'-C3' 123.833 3.444 . 0.213 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.793 1 O4'-C1'-N19 112.586 4.386 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.697 0 O4'-C1'-N19 112.133 3.933 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.553 3.276 1 O4'-C1'-N19 113.648 5.448 . 0.869 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.3 94.29 9.3 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 125.215 1.406 . . . . 0.0 107.592 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -96.26 -69.29 0.76 Allowed 'General case' 0 C--N 1.356 0.889 0 C-N-CA 128.648 2.779 . . . . 0.0 107.783 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 29.0 p -65.25 -41.42 94.31 Favored 'General case' 0 C--N 1.373 1.588 0 C-N-CA 127.398 2.279 . . . . 0.0 113.809 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -55.26 -48.75 73.55 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 126.894 2.078 . . . . 0.0 112.341 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -70.61 -49.88 43.02 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 125.562 1.545 . . . . 0.0 110.405 175.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.452 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 8.9 t60 -42.87 -52.83 4.94 Favored 'General case' 0 C--N 1.377 1.804 0 C-N-CA 129.954 3.302 . . . . 0.0 112.446 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -31.52 -55.06 0.26 Allowed 'General case' 0 C--N 1.367 1.359 0 C-N-CA 129.289 3.035 . . . . 0.0 115.043 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -51.81 12.3 Favored 'General case' 0 C--N 1.375 1.675 0 C-N-CA 126.911 2.084 . . . . 0.0 111.83 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -52.95 -43.61 66.46 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 127.878 2.471 . . . . 0.0 111.542 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -51.26 -57.57 8.49 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 131.388 3.875 . . . . 0.0 108.738 175.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -41.08 -56.04 2.42 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 127.152 2.181 . . . . 0.0 111.808 177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -62.94 -52.25 63.77 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 127.319 2.248 . . . . 0.0 113.75 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.87 -48.61 66.99 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 126.595 1.958 . . . . 0.0 111.134 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.278 1.4 mt -58.02 -61.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.381 1.952 0 N-CA-C 107.748 -1.204 . . . . 0.0 107.748 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -41.8 -50.31 4.35 Favored 'General case' 0 C--N 1.373 1.599 0 C-N-CA 127.745 2.418 . . . . 0.0 113.847 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -51.43 -57.66 8.38 Favored 'General case' 0 C--N 1.371 1.522 0 C-N-CA 127.412 2.285 . . . . 0.0 112.339 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -66.1 -55.47 16.31 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 128.993 2.917 . . . . 0.0 113.415 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.259 1.56 0 C-N-CA 131.208 3.803 . . . . 0.0 110.369 -178.606 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.503 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.543 2.577 1 O4'-C1'-N19 113.687 5.487 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.503 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.28 1 P-O3'-C3' 135.344 13.037 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.457 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.541 2.387 0 N19-C1'-C2' 119.244 3.653 . 0.705 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.457 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.553 3.336 2 O4'-C1'-N19 112.82 4.62 . 0.498 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.887 2 P-O3'-C3' 127.773 6.727 . 0.298 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.413 " H2'" " H3'" ' A' ' 10' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.551 3.128 1 P-O3'-C3' 127.523 6.519 . 0.236 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.413 " H3'" " H2'" ' A' ' 9' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.546 2.733 1 P-O3'-C3' 125.531 4.859 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . 0.516 " H1'" ' CE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.543 2.561 0 C4'-C3'-C2' 106.613 3.913 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.11 1 P-O3'-C3' 131.482 9.818 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.024 0 O4'-C1'-N19 111.864 3.664 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.371 0 O4'-C1'-N19 111.305 3.105 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.8 0 C5'-C4'-O4' 114.021 3.444 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.896 0 O4'-C1'-N19 112.154 3.954 . 0.909 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.504 1 O4'-C1'-N19 112.362 4.162 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.106 1 O4'-C1'-N19 113.468 5.268 . 0.899 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.03 -42.39 72.58 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 126.423 1.889 . . . . 0.0 115.16 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -56.96 -48.91 77.25 Favored 'General case' 0 C--N 1.377 1.784 0 C-N-CA 126.305 1.842 . . . . 0.0 108.555 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . 0.275 33.0 p -62.64 -32.48 73.53 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 117.332 -1.318 . . . . 0.0 112.362 175.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -62.66 -55.1 30.02 Favored 'General case' 0 C--N 1.38 1.93 0 CA-C-N 121.03 1.741 . . . . 0.0 111.088 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -60.7 -46.17 91.39 Favored 'General case' 0 C--N 1.372 1.574 0 C-N-CA 125.701 1.6 . . . . 0.0 110.516 176.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.516 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 7.9 t60 -49.06 -57.65 6.23 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 128.658 2.783 . . . . 0.0 110.984 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -32.17 -55.13 0.32 Allowed 'General case' 0 C--N 1.373 1.618 0 C-N-CA 127.89 2.476 . . . . 0.0 114.905 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -76.36 -53.12 8.62 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 126.077 1.751 . . . . 0.0 111.139 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -50.33 -42.21 52.5 Favored 'General case' 0 C--N 1.372 1.562 0 C-N-CA 128.172 2.589 . . . . 0.0 112.099 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -52.31 -59.08 4.84 Favored 'General case' 0 C--N 1.371 1.5 1 C-N-CA 132.276 4.23 . . . . 0.0 109.284 175.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -42.44 -53.8 4.12 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 127.186 2.194 . . . . 0.0 111.492 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.93 -52.34 56.94 Favored 'General case' 0 C--N 1.368 1.379 0 C-N-CA 126.714 2.005 . . . . 0.0 113.46 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.88 -46.35 64.46 Favored 'General case' 0 C--N 1.369 1.426 0 C-N-CA 127.632 2.373 . . . . 0.0 112.392 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.28 1.1 mt -60.79 -57.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.377 1.77 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.69 -14.56 1.4 Allowed 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.532 1.933 . . . . 0.0 114.869 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -69.92 -56.27 7.47 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 126.576 1.951 . . . . 0.0 106.578 174.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.09 -50.1 75.02 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 130.433 3.493 . . . . 0.0 112.818 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 C--O 1.26 1.622 0 C-N-CA 129.828 3.251 . . . . 0.0 112.812 -179.561 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.589 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.532 1.657 1 O4'-C1'-N19 112.415 4.215 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.589 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.559 3.804 0 O4'-C1'-N19 111.643 3.443 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.657 1 N19-C1'-C2' 120.134 4.209 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.393 1 O4'-C1'-N19 112.731 4.531 . 0.217 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.849 2 P-O3'-C3' 128.53 7.358 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.076 1 P-O3'-C3' 126.1 5.333 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.248 1 P-O3'-C3' 124.946 4.371 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.383 0 C3'-C2'-C1' 105.045 3.939 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . 0.4 " H2'" ' C8 ' ' A' ' 13' ' ' ' A' . . . . . . . . 0 P--O3' 1.579 -2.366 1 P-O3'-C3' 128.375 7.229 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . 0.4 ' C8 ' " H2'" ' A' ' 12' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.55 3.07 0 O4'-C1'-N19 112.043 3.843 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.927 0 O4'-C1'-N19 111.157 2.957 . 0.683 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.715 0 C5'-C4'-O4' 113.842 3.316 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.917 1 O4'-C1'-N19 112.571 4.371 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.532 1 N19-C1'-C2' 120.347 4.342 . 0.647 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.863 1 O4'-C1'-N19 113.626 5.426 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.72 80.54 0.44 Allowed 'General case' 0 C--N 1.373 1.612 0 C-N-CA 126.172 1.789 . . . . 0.0 114.356 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -99.81 -57.85 2.05 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 128.714 2.805 . . . . 0.0 106.415 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 21.5 p -64.04 -46.33 84.89 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 127.669 2.387 . . . . 0.0 113.86 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -51.22 -51.07 57.41 Favored 'General case' 0 C--N 1.37 1.479 0 C-N-CA 125.921 1.688 . . . . 0.0 111.092 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ttt85 -62.55 -58.34 7.91 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 128.013 2.525 . . . . 0.0 109.054 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -45.56 -55.27 6.46 Favored 'General case' 0 C--N 1.376 1.735 0 C-N-CA 128.899 2.879 . . . . 0.0 113.24 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -38.02 -60.77 0.72 Allowed 'General case' 0 C--N 1.369 1.423 0 C-N-CA 128.902 2.881 . . . . 0.0 113.048 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.271 29.1 ptt-85 -66.59 -52.58 43.77 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 125.132 1.373 . . . . 0.0 112.687 177.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -51.64 -47.16 63.83 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 128.078 2.551 . . . . 0.0 111.736 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -50.19 -60.56 2.85 Favored 'General case' 0 C--N 1.37 1.489 0 C-N-CA 131.504 3.922 . . . . 0.0 108.933 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -42.88 -55.72 3.58 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 126.394 1.878 . . . . 0.0 111.803 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.38 -53.21 58.29 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 126.063 1.745 . . . . 0.0 113.601 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.33 -48.36 46.55 Favored 'General case' 0 C--N 1.367 1.345 0 C-N-CA 127.831 2.452 . . . . 0.0 111.009 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.272 1.6 mt -58.2 -60.64 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.379 1.891 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 176.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -57.19 -7.83 0.6 Allowed 'General case' 0 C--N 1.37 1.49 0 C-N-CA 126.806 2.043 . . . . 0.0 115.89 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -86.29 -57.0 3.18 Favored 'General case' 0 C--N 1.372 1.585 0 C-N-CA 127.482 2.313 . . . . 0.0 107.103 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -54.64 -49.82 69.62 Favored 'General case' 0 C--N 1.37 1.483 0 C-N-CA 128.895 2.878 . . . . 0.0 112.256 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--O 1.261 1.695 0 C-N-CA 131.273 3.829 . . . . 0.0 112.242 178.353 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ' G' . . . . . 0.55 " H2'" ' C6 ' ' A' ' 5' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.537 2.063 0 O4'-C1'-N19 111.991 3.791 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . 0.55 ' C6 ' " H2'" ' A' ' 4' ' ' ' G' . . . . . . . . 1 C5'--C4' 1.562 4.033 0 O5'-C5'-C4' 115.203 3.574 . 0.539 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.471 ' C6 ' ' C4 ' ' A' ' 7' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.545 2.687 0 O4'-C1'-N19 111.608 3.408 . 0.537 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ' C' . . . . . 0.471 ' C4 ' ' C6 ' ' A' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.555 3.444 1 O4'-C1'-N19 112.654 4.454 . 0.394 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.771 2 P-O3'-C3' 128.583 7.403 . 0.335 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.116 1 P-O3'-C3' 126.29 5.491 . 0.309 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.843 1 P-O3'-C3' 125.123 4.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ' C' . . . . . 0.482 " H1'" ' CE1' ' B' ' 7' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 2.47 0 C4'-C3'-C2' 106.581 3.881 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.797 2 P-O3'-C3' 131.027 9.439 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.025 0 O4'-C1'-N19 111.664 3.464 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.552 3.194 0 O4'-C1'-N19 111.23 3.03 . 0.865 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.785 0 C5'-C4'-O4' 113.685 3.204 . 0.567 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.904 0 O4'-C1'-N19 112.07 3.87 . 0.897 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.626 0 N19-C1'-C2' 119.597 3.873 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.551 3.156 1 O4'-C1'-N19 113.629 5.429 . 0.886 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 120.631 0.253 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.52 85.41 7.43 Favored 'General case' 0 C--N 1.368 1.377 0 C-N-CA 125.228 1.411 . . . . 0.0 109.207 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -95.52 -62.64 1.26 Allowed 'General case' 0 C--N 1.361 1.098 0 C-N-CA 127.105 2.162 . . . . 0.0 106.539 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 24.3 p -65.89 -43.77 87.3 Favored 'General case' 0 C--N 1.375 1.687 0 C-N-CA 126.73 2.012 . . . . 0.0 114.099 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.33 -46.9 82.79 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 125.47 1.508 . . . . 0.0 111.731 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -67.03 -51.87 49.41 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 125.99 1.716 . . . . 0.0 108.731 174.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' HIS . . . . . 0.482 ' CE1' " H1'" ' A' ' 11' ' ' ' C' . 17.2 t60 -43.35 -58.09 2.72 Favored 'General case' 0 C--N 1.38 1.911 0 C-N-CA 128.701 2.8 . . . . 0.0 110.904 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -35.55 -56.99 0.64 Allowed 'General case' 0 C--N 1.371 1.521 0 C-N-CA 128.218 2.607 . . . . 0.0 113.567 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -63.89 -57.25 10.37 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 127.69 2.396 . . . . 0.0 112.088 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -59.24 -44.04 92.37 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 128.938 2.895 . . . . 0.0 112.907 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -50.13 -57.27 8.07 Favored 'General case' 0 C--N 1.371 1.534 0 C-N-CA 131.29 3.836 . . . . 0.0 108.675 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -40.77 -56.88 2.07 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 128.094 2.558 . . . . 0.0 111.527 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.15 -52.34 59.53 Favored 'General case' 0 C--N 1.367 1.335 0 C-N-CA 126.852 2.061 . . . . 0.0 113.421 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.75 -46.23 63.97 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 127.053 2.141 . . . . 0.0 112.139 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . 0.3 0.8 OUTLIER -62.55 -57.69 10.91 Favored 'Isoleucine or valine' 0 C--N 1.38 1.922 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 177.056 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.27 -27.48 9.37 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 125.95 1.7 . . . . 0.0 114.637 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -58.68 -51.4 70.08 Favored 'General case' 0 C--N 1.377 1.769 0 C-N-CA 126.326 1.85 . . . . 0.0 108.578 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -66.27 -48.0 71.85 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 129.765 3.226 . . . . 0.0 112.377 177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.261 1.706 0 C-N-CA 129.032 2.933 . . . . 0.0 112.184 -179.359 . . . . . . . . 0 0 . 1 stop_ save_