data_1g70_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 1g70 _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 ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.455 -0.748 0 CA-C-O 122.74 1.058 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.64 21.07 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 130.573 3.549 . . . . 0.0 117.573 -158.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.45 -52.78 0.31 Allowed Glycine 0 CA--C 1.528 0.867 0 C-N-CA 126.688 2.089 . . . . 0.0 112.836 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.71 -38.28 64.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 118.663 1.231 . . . . 0.0 108.961 164.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.586 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 7.0 tt0 -69.58 -32.52 71.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 116.901 -1.523 . . . . 0.0 110.623 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.431 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 31.4 mtp85 -60.81 -48.02 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.224 1.375 . . . . 0.0 112.304 165.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -57.79 -30.42 65.66 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.741 1.155 . . . . 0.0 112.278 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.586 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 41.9 mtm180 -72.78 -20.96 61.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 172.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' B' ' 14' ' ' ARG . 18.0 mmt180 -63.04 -55.89 21.67 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.492 1.042 . . . . 0.0 112.342 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -68.39 -27.28 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 125.845 1.658 . . . . 0.0 112.003 174.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.54 -5.39 59.29 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.306 1.043 . . . . 0.0 113.269 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.52 58.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 165.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 C-N-CA 127.039 2.136 . . . . 0.0 116.25 -170.023 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 CA--C 1.54 0.818 0 N-CA-C 111.291 -0.311 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.7 m -60.08 17.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 131.112 3.765 . . . . 0.0 119.302 -170.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.49 -46.95 0.1 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 128.428 2.918 . . . . 0.0 112.561 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.68 70.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.913 1.857 . . . . 0.0 110.81 164.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.657 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 0.4 OUTLIER -67.15 -45.56 76.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.018 1.327 . . . . 0.0 109.466 173.657 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 57.4 mtp85 -54.61 -29.96 53.37 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 169.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.92 -14.17 37.37 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 165.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.657 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 8.7 mtm-85 -68.35 -20.96 64.76 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 122.263 2.301 . . . . 0.0 111.719 166.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -72.79 -47.94 42.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.144 1.777 . . . . 0.0 113.841 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.05 78.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.958 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -14.54 62.52 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.642 1.977 . . . . 0.0 114.201 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.31 56.69 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.426 1.091 . . . . 0.0 110.764 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.177 0 C-N-CA 125.688 1.595 . . . . 0.0 111.561 -165.447 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 CA--C 1.528 0.183 0 CA-C-O 120.981 0.326 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -76.67 15.47 0.63 Allowed 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -156.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.1 -38.49 0.31 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 127.038 2.256 . . . . 0.0 113.729 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.17 91.28 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 120.791 2.295 . . . . 0.0 109.981 161.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.78 -38.25 83.13 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.34 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -54.09 -40.55 67.34 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.777 1.171 . . . . 0.0 113.206 171.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -23.53 60.13 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.809 2.044 . . . . 0.0 112.803 175.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -86.45 -16.28 37.62 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.902 1.228 . . . . 0.0 113.836 172.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.67 -61.26 2.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.52 1.528 . . . . 0.0 110.263 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -34.85 71.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 130.302 3.441 . . . . 0.0 111.569 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.92 -13.46 60.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.069 1.748 . . . . 0.0 111.455 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.01 -34.13 61.88 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.171 0.589 . . . . 0.0 111.055 169.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.892 0 C-N-CA 126.318 1.847 . . . . 0.0 110.876 -158.714 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo . . . . . 0 N--CA 1.463 -0.297 0 N-CA-C 109.584 -0.968 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.5 8.55 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.331 1 C-N-CA 133.076 4.55 . . . . 0.0 120.328 -167.177 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.58 -40.52 0.23 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 129.432 3.396 . . . . 0.0 114.194 -174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.88 64.71 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.632 1.216 . . . . 0.0 112.214 162.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -34.88 76.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.778 2.031 . . . . 0.0 109.912 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -77.59 -36.39 51.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.827 1.651 . . . . 0.0 111.455 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -64.38 -30.46 71.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.8 -1.188 . . . . 0.0 113.727 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -69.93 -30.03 67.33 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.743 1.156 . . . . 0.0 113.146 170.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -52.2 66.77 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 128.495 2.718 . . . . 0.0 114.684 -177.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -28.39 64.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.552 1.141 . . . . 0.0 112.04 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.8 -8.81 59.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.46 1.904 . . . . 0.0 112.564 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.16 45.03 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.946 1.298 . . . . 0.0 108.94 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.802 0 C-N-CA 127.002 2.121 . . . . 0.0 113.855 -175.515 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo . . . . . 0 N--CA 1.474 0.369 0 CA-C-O 121.185 0.41 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -63.91 5.51 0.22 Allowed 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.464 3.135 . . . . 0.0 119.464 -153.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.12 -48.74 3.84 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-O 117.195 -1.892 . . . . 0.0 111.543 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.3 66.97 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.421 2.11 . . . . 0.0 109.826 164.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.08 -59.47 3.76 Favored 'General case' 0 N--CA 1.428 -1.571 0 N-CA-C 106.762 -1.569 . . . . 0.0 106.762 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -49.24 -41.71 38.36 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 119.741 1.155 . . . . 0.0 113.531 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -35.35 79.82 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 167.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -71.89 -28.71 63.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.131 1.373 . . . . 0.0 112.193 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -36.63 83.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 109.772 -174.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.28 69.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 131.675 3.99 . . . . 0.0 111.655 172.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -7.96 52.07 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.742 2.017 . . . . 0.0 114.978 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.03 -34.05 33.13 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.127 0.876 . . . . 0.0 111.551 164.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -154.727 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo . . . . . 0 N--CA 1.477 0.511 0 CA-C-O 122.986 1.161 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -121.84 86.25 2.55 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 112.014 -2.357 . . . . 0.0 106.58 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 2.93 -36.16 0.0 OUTLIER Glycine 0 N--CA 1.481 1.663 1 C-N-CA 136.898 6.952 . . . . 0.0 119.161 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.47 50.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.907 2.083 . . . . 0.0 108.173 163.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.3 -46.1 90.24 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.864 1.266 . . . . 0.0 111.351 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -63.49 -38.17 90.1 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.128 0.422 . . . . 0.0 111.458 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -66.14 -34.42 78.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.549 -1.215 . . . . 0.0 113.298 171.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -76.13 -20.95 57.16 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 117.42 -1.276 . . . . 0.0 113.076 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -63.64 -56.59 14.6 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.141 1.776 . . . . 0.0 112.61 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -63.03 -25.84 68.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.963 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.38 36.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.758 2.023 . . . . 0.0 112.845 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.03 -28.87 60.61 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.892 1.677 . . . . 0.0 110.873 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.662 0 C-N-CA 127.424 2.29 . . . . 0.0 116.835 -161.007 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.451 -1.014 0 N-CA-C 109.754 -0.902 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 14.33 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.535 1 C-N-CA 132.02 4.128 . . . . 0.0 118.126 -160.18 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.75 -50.48 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 127.475 2.464 . . . . 0.0 112.181 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.19 67.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 118.792 1.296 . . . . 0.0 110.871 166.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.54 -46.97 74.36 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -57.45 -24.03 53.25 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.636 1.574 . . . . 0.0 113.155 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -33.96 23.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 128.066 2.546 . . . . 0.0 115.153 164.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -65.85 -16.58 63.96 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 121.229 1.831 . . . . 0.0 112.956 165.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -38.5 67.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 127.684 2.394 . . . . 0.0 112.176 177.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -79.05 -34.48 43.77 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.672 171.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.44 66.8 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.57 -33.19 75.33 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.898 1.279 . . . . 0.0 111.551 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -151.225 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.473 0.29 0 N-CA-C 114.546 0.941 . . . . 0.0 114.546 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 2.43 1.78 Allowed 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -165.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.12 -50.26 0.73 Allowed Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.09 2.281 . . . . 0.0 112.401 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.75 -16.4 57.57 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 118.404 1.102 . . . . 0.0 109.766 159.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.51 -50.29 67.98 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 117.617 -1.183 . . . . 0.0 108.985 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -55.45 -35.16 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.09 0.859 . . . . 0.0 112.349 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -22.2 63.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 169.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -86.15 -11.35 52.83 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.21 1.823 . . . . 0.0 113.743 167.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -52.98 9.76 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.467 1.03 . . . . 0.0 111.015 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -62.26 -34.61 76.87 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 123.167 0.587 . . . . 0.0 112.114 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.36 -2.94 47.59 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.008 1.723 . . . . 0.0 112.652 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.39 35.44 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.426 1.09 . . . . 0.0 110.632 163.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 127.519 2.328 . . . . 0.0 113.58 -168.311 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 CA--C 1.521 -0.174 0 N-CA-C 115.424 1.279 . . . . 0.0 115.424 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.36 -1.29 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 120.181 3.401 . . . . 0.0 120.181 -166.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.58 -45.35 0.5 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.75 1.643 . . . . 0.0 113.112 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.13 -20.7 10.8 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.438 2.119 . . . . 0.0 109.177 157.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -60.44 2.91 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.701 1.601 . . . . 0.0 107.777 171.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 60.3 mtp85 -56.52 -39.88 74.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.591 1.087 . . . . 0.0 112.034 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -30.16 70.52 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.072 1.349 . . . . 0.0 113.558 172.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -68.36 -34.17 75.59 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 121.761 2.073 . . . . 0.0 112.862 169.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -48.26 72.36 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.259 1.424 . . . . 0.0 110.28 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.517 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.49 -29.29 70.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.356 175.263 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.23 1.02 34.05 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.32 1.448 . . . . 0.0 113.1 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.25 -33.2 20.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.31 1.044 . . . . 0.0 110.416 159.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -161.391 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo . . . . . 0 CA--C 1.516 -0.386 0 CA-C-O 121.984 0.743 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -89.32 65.34 7.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.995 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 27.43 -37.46 0.0 OUTLIER Glycine 0 N--CA 1.483 1.789 1 C-N-CA 136.221 6.629 . . . . 0.0 119.288 171.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.94 -34.13 67.71 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 127.259 2.224 . . . . 0.0 106.873 159.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.69 -57.34 13.45 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 126.728 2.011 . . . . 0.0 106.961 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -25.66 68.44 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -52.48 44.43 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.668 1.187 . . . . 0.0 111.117 160.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.6 -6.39 19.97 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.396 1.453 . . . . 0.0 114.057 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.9 -52.03 10.17 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.704 1.602 . . . . 0.0 111.801 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -61.46 -32.38 72.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.904 0.882 . . . . 0.0 109.702 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.09 -9.38 59.56 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.71 66.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.952 0.796 . . . . 0.0 109.508 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.728 0 C-N-CA 129.665 3.186 . . . . 0.0 114.336 175.792 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo . . . . . 0 CA--C 1.531 0.372 0 N-CA-C 114.801 1.039 . . . . 0.0 114.801 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -79.74 -8.41 59.23 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -169.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.62 -46.98 2.94 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 117.805 -1.553 . . . . 0.0 111.701 -167.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.2 -17.58 7.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 121.07 2.435 . . . . 0.0 110.381 162.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.428 ' N ' HH21 ' B' ' 16' ' ' ARG . 1.2 tp10 -64.72 -47.42 78.33 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.424 2.289 . . . . 0.0 110.306 173.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -59.21 -28.33 66.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.18 0.9 . . . . 0.0 111.988 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -15.11 58.29 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.666 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . 0.428 HH21 ' N ' ' B' ' 13' ' ' GLU . 70.4 mtm180 -110.94 1.42 17.51 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 167.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -50.13 70.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.172 2.189 . . . . 0.0 110.871 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -67.13 -23.44 65.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.519 2.328 . . . . 0.0 112.996 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -5.64 58.21 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.813 2.445 . . . . 0.0 113.227 171.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.51 -28.71 15.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.776 1.231 . . . . 0.0 113.113 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -160.725 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.462 -0.371 0 CA-C-O 121.319 0.466 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -72.6 30.72 0.06 Allowed 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 127.259 2.224 . . . . 0.0 116.582 -165.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.82 -48.0 0.09 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 128.602 3.001 . . . . 0.0 114.836 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.41 68.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.288 1.835 . . . . 0.0 109.859 161.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.88 -57.32 9.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -46.76 -33.38 4.32 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 174.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.59 -37.76 55.94 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 165.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -64.03 -11.51 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 121.138 1.79 . . . . 0.0 112.853 172.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.09 -55.21 7.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.029 1.332 . . . . 0.0 111.163 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.498 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.92 -23.61 67.28 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -10.53 57.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.152 1.781 . . . . 0.0 114.026 172.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.87 -30.61 17.78 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.043 1.337 . . . . 0.0 111.462 170.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.561 0 C-N-CA 126.647 1.979 . . . . 0.0 112.863 -165.34 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 N--CA 1.46 -0.469 0 CA-C-O 122.045 0.769 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.2 m -96.2 12.2 31.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -161.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -60.66 3.84 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -169.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.81 -33.17 47.9 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.589 1.156 . . . . 0.0 111.416 173.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.78 -44.05 97.2 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.195 2.198 . . . . 0.0 109.523 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.63 -46.45 70.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.236 172.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.4 66.99 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.347 -1.311 . . . . 0.0 113.775 172.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -86.31 -12.18 50.15 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.551 1.523 . . . . 0.0 114.799 172.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -63.72 -57.58 9.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.83 1.252 . . . . 0.0 111.863 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -32.24 70.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.087 1.755 . . . . 0.0 111.262 172.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.09 -11.55 59.92 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.254 1.422 . . . . 0.0 112.235 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.39 -37.38 28.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 167.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 C-N-CA 126.36 1.864 . . . . 0.0 115.687 -159.203 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.457 ' HG3' HH22 ' B' ' 17' ' ' ARG . 60.1 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 N-CA-C 113.875 0.683 . . . . 0.0 113.875 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.0 m -64.5 15.95 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.114 3.005 . . . . 0.0 119.114 -165.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.49 -45.27 0.8 Allowed Glycine 0 CA--C 1.528 0.903 0 C-N-CA 127.122 2.296 . . . . 0.0 113.837 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.41 68.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.079 1.44 . . . . 0.0 108.026 164.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.77 -47.5 84.9 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 126.511 1.924 . . . . 0.0 111.047 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -65.51 -30.04 70.76 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -39.91 73.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.728 1.211 . . . . 0.0 113.86 163.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -61.18 -27.36 68.36 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.863 1.21 . . . . 0.0 113.241 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.457 HH22 ' HG3' ' B' ' 9' ' ' PRO . 59.5 mtt180 -63.34 -57.72 9.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.047 2.139 . . . . 0.0 114.136 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -25.68 67.85 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.295 1.038 . . . . 0.0 111.35 175.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 5.1 28.5 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 112.45 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.73 -29.2 20.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.9 1.28 . . . . 0.0 110.779 163.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 117.225 2.305 . . . . 0.0 117.225 -153.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 mmp_? -62.27 164.82 10.09 Favored Pre-proline 0 CA--C 1.539 0.544 1 C-N-CA 135.419 5.487 . . . . 0.0 117.088 1.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.73 132.34 48.81 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 124.105 3.204 . . . . 0.0 110.983 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.64 21.07 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 130.573 3.549 . . . . 0.0 117.573 -158.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.45 -52.78 0.31 Allowed Glycine 0 CA--C 1.528 0.867 0 C-N-CA 126.688 2.089 . . . . 0.0 112.836 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.71 -38.28 64.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 118.663 1.231 . . . . 0.0 108.961 164.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.586 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 7.0 tt0 -69.58 -32.52 71.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 116.901 -1.523 . . . . 0.0 110.623 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.431 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 31.4 mtp85 -60.81 -48.02 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.224 1.375 . . . . 0.0 112.304 165.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -57.79 -30.42 65.66 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.741 1.155 . . . . 0.0 112.278 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.586 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 41.9 mtm180 -72.78 -20.96 61.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 172.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' B' ' 14' ' ' ARG . 18.0 mmt180 -63.04 -55.89 21.67 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.492 1.042 . . . . 0.0 112.342 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -68.39 -27.28 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 125.845 1.658 . . . . 0.0 112.003 174.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.54 -5.39 59.29 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.306 1.043 . . . . 0.0 113.269 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.52 58.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 165.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.14 -38.09 8.68 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.039 2.136 . . . . 0.0 116.25 -170.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 116.559 -1.686 . . . . 0.0 112.596 -172.914 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.35 0 C5'-C4'-C3' 111.404 -2.731 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C3'-C2'-C1' 103.978 2.753 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 2 C4'-C3'-C2' 97.528 -5.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 0 P-O3'-C3' 123.778 3.398 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.993 2 N19-C1'-C2' 120.92 4.7 . 0.564 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.476 HO2' " C5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.41 -3.613 0 C3'-C2'-C1' 104.592 3.436 . 0.343 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.476 " C5'" HO2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.548 2.165 1 O4'-C1'-N19 116.469 8.269 . 0.081 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.77 0 C5'-C4'-C3' 110.327 -3.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 2 O4'-C1'-N19 118.588 10.388 . 0.277 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 O4'-C1'-N19 113.496 5.296 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 1 C5'-C4'-C3' 106.663 -5.892 . 0.747 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 1 C5'-C4'-C3' 107.899 -5.067 . 0.364 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.401 ' C4 ' ' C4 ' ' A' ' 60' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 O4'-C1'-N19 112.004 3.804 . 0.164 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . 0.401 ' C4 ' ' C4 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 O4'-C1'-N19 111.322 3.122 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.723 1 N19-C1'-C2' 120.4 4.375 . 0.18 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.517 1 O4'-C1'-N19 115.377 7.177 . 0.053 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 P-O3'-C3' 124.292 3.827 . 0.799 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.48 0 C4'-C3'-C2' 99.709 -2.991 . 0.077 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.325 1 C2'-C3'-O3' 122.442 4.086 OUTLIER-EPSILON 0.446 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 1 P-O3'-C3' 127.257 6.297 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.404 " H1'" ' HA ' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.554 1 O4'-C1'-N19 114.37 6.17 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 O4'-C1'-N19 111.944 3.744 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.618 1 N19-C1'-C2' 106.898 -4.063 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C5'-C4'-C3' 111.299 -2.801 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.49 4 O4'-C1'-N19 112.671 4.471 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.635 1 P-O3'-C3' 128.205 7.088 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.027 1 O4'-C1'-N19 113.2 5.0 . 0.085 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.415 0 P-O3'-C3' 123.73 3.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C5'-C4'-C3' 111.742 -2.506 . 0.672 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.428 1 O5'-C5'-C4' 116.392 4.423 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.156 1 N19-C1'-C2' 105.644 -4.847 . 0.056 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.844 0 C5'-C4'-C3' 109.791 -3.806 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.445 ' HA ' ' CZ ' ' B' ' 8' ' ' ARG . 5.8 m . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.445 ' CZ ' ' HA ' ' B' ' 7' ' ' SER . 9.5 mmp_? -156.15 167.39 14.42 Favored Pre-proline 0 CA--C 1.559 1.294 1 C-N-CA 134.809 5.244 . . . . 0.0 109.957 9.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.91 121.96 9.43 Favored 'Trans proline' 0 CA--C 1.54 0.818 1 C-N-CA 126.269 4.646 . . . . 0.0 111.291 166.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.7 m -60.08 17.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 131.112 3.765 . . . . 0.0 119.302 -170.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.49 -46.95 0.1 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 128.428 2.918 . . . . 0.0 112.561 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.68 70.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.913 1.857 . . . . 0.0 110.81 164.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.657 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 0.4 OUTLIER -67.15 -45.56 76.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.018 1.327 . . . . 0.0 109.466 173.657 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.431 ' HE ' ' N2 ' ' A' ' 71' ' ' ' G' . 57.4 mtp85 -54.61 -29.96 53.37 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 169.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.92 -14.17 37.37 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 165.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.657 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 8.7 mtm-85 -68.35 -20.96 64.76 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 122.263 2.301 . . . . 0.0 111.719 166.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -72.79 -47.94 42.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.144 1.777 . . . . 0.0 113.841 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.05 78.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.958 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -14.54 62.52 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.642 1.977 . . . . 0.0 114.201 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.31 56.69 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.426 1.091 . . . . 0.0 110.764 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.92 -31.34 12.24 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 125.688 1.595 . . . . 0.0 111.561 -165.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.739 -1.124 . . . . 0.0 110.47 158.809 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.582 -2.118 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.193 0 C4'-C3'-C2' 99.984 -2.716 . 0.156 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 P-O3'-C3' 123.848 3.457 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.426 ' C4 ' ' C5 ' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.552 2 O4'-C1'-N19 112.723 4.523 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.426 ' C5 ' ' C4 ' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.408 -3.718 3 N19-C1'-C2' 121.263 4.915 . 0.502 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.831 HO2' " H5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C3'-C2'-C1' 103.986 2.762 . 0.121 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.831 " H5'" HO2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 P-O3'-C3' 122.967 2.723 . 0.751 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.66 4 O4'-C1'-N19 116.218 8.018 . 0.202 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.024 0 N19-C1'-C2' 119.539 3.837 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.231 0 C5'-C4'-O4' 113.06 2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 O4'-C1'-N19 112.813 4.613 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 O4'-C1'-N19 111.01 2.81 . 0.021 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.058 2 O4'-C1'-N19 112.514 4.314 . 0.806 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.058 1 O4'-C1'-N19 114.553 6.353 . 0.106 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.551 0 P-O3'-C3' 123.392 3.077 . 0.406 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 O4'-C1'-N19 114.347 6.147 . 0.331 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 P-O3'-C3' 124.179 3.732 . 0.762 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.417 ' C5 ' ' C5 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 P--O5' 1.63 3.718 0 P-O3'-C3' 124.48 3.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.417 ' C5 ' ' C5 ' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.778 1 O4'-C1'-N19 113.482 5.282 . 0.386 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.791 0 N19-C1'-C2' 107.611 -3.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 5 O4'-C1'-N19 116.306 8.106 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.264 3 P-O3'-C3' 127.576 6.563 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 1 P-O3'-C3' 128.441 7.284 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.431 ' N2 ' ' HE ' ' B' ' 14' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 99.467 -2.258 . 0.298 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.437 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.408 -3.735 6 C5'-C4'-O4' 99.287 -7.081 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.437 ' C8 ' " H1'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.237 1 P-O3'-C3' 127.836 6.78 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O4'-C1'-N19 110.627 2.427 . 0.357 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C5'-C4'-C3' 110.723 -3.185 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 N19-C1'-C2' 107.687 -3.57 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.446 0 O5'-C5'-C4' 114.864 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.462 0 O4'-C1'-N19 111.341 3.141 . 0.174 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.909 0 O5'-C5'-C4' 114.215 2.868 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -55.75 157.47 7.73 Favored Pre-proline 0 CA--C 1.551 1.0 1 C-N-CA 133.128 4.571 . . . . 0.0 112.379 -3.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -48.13 129.84 19.35 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 124.664 3.576 . . . . 0.0 112.589 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -76.67 15.47 0.63 Allowed 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -156.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.1 -38.49 0.31 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 127.038 2.256 . . . . 0.0 113.729 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.17 91.28 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 120.791 2.295 . . . . 0.0 109.981 161.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.78 -38.25 83.13 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.34 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -54.09 -40.55 67.34 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.777 1.171 . . . . 0.0 113.206 171.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -23.53 60.13 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.809 2.044 . . . . 0.0 112.803 175.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -86.45 -16.28 37.62 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.902 1.228 . . . . 0.0 113.836 172.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.67 -61.26 2.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.52 1.528 . . . . 0.0 110.263 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -34.85 71.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 130.302 3.441 . . . . 0.0 111.569 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.92 -13.46 60.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.069 1.748 . . . . 0.0 111.455 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.01 -34.13 61.88 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.171 0.589 . . . . 0.0 111.055 169.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.54 -78.22 0.56 Allowed 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 126.318 1.847 . . . . 0.0 110.876 -158.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.242 1.817 . . . . 0.0 108.814 171.552 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C5'-C4'-C3' 111.077 -2.949 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C3'-C2'-C1' 103.787 2.541 . 0.296 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.484 HO2' " C5'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 113.005 4.805 . 0.78 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.484 " C5'" HO2' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.372 2 O4'-C1'-N19 112.675 4.475 . 0.476 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.448 2 O4'-C1'-N19 114.0 5.8 . 0.553 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.848 HO2' " C5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.406 -3.893 0 O3'-P-O5' 97.734 -3.298 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.848 " C5'" HO2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.09 1 O4'-C1'-N19 115.514 7.314 . 0.523 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.078 2 O4'-C1'-N19 114.83 6.63 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.44 " H2'" ' C8 ' ' A' ' 50' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.911 1 O4'-C1'-N19 116.89 8.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 0.44 ' C8 ' " H2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 O4'-C1'-N19 111.415 3.215 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.325 2 C5'-C4'-C3' 108.76 -4.493 . 0.392 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.411 ' C6 ' ' C5 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 P-O3'-C3' 124.046 3.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.411 ' C5 ' ' C6 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 O4'-C1'-N19 111.742 3.542 . 0.902 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.676 1 O4'-C1'-N19 113.348 5.148 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.524 0 O5'-C5'-C4' 115.241 3.601 . 0.011 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C3'-C2'-C1' 104.927 3.808 . 0.073 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C4'-C3'-C2' 98.65 -4.05 . 0.259 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.309 0 P-O3'-C3' 123.634 3.279 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 O4'-C1'-N19 111.184 2.984 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.78 1 N19-C1'-C2' 105.79 -4.756 . 0.533 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 C4'-C3'-C2' 98.816 -3.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 3 O4'-C1'-N19 118.202 10.002 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.775 0 C5'-C4'-O4' 113.829 3.306 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 0 C1'-O4'-C4' 107.045 -2.839 OUTLIER-EPSILON 0.434 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.866 3 C1'-O4'-C4' 105.103 -4.997 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.095 1 P-O3'-C3' 127.105 6.171 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 0 O4'-C1'-N19 111.517 3.317 . 0.404 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 2 P-O3'-C3' 124.594 4.078 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 2 O4'-C1'-N19 112.897 4.697 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.762 0 P-O3'-C3' 122.679 2.483 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.505 1 C4'-C3'-C2' 98.556 -4.144 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.188 0 C5'-C4'-C3' 110.537 -3.309 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 117.502 -1.237 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -77.91 165.22 52.39 Favored Pre-proline 0 CA--C 1.547 0.85 1 C-N-CA 133.809 4.844 . . . . 0.0 114.111 1.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -63.08 120.16 7.51 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 124.315 3.343 . . . . 0.0 109.584 -175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.5 8.55 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.331 1 C-N-CA 133.076 4.55 . . . . 0.0 120.328 -167.177 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.58 -40.52 0.23 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 129.432 3.396 . . . . 0.0 114.194 -174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.88 64.71 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.632 1.216 . . . . 0.0 112.214 162.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -34.88 76.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.778 2.031 . . . . 0.0 109.912 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -77.59 -36.39 51.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.827 1.651 . . . . 0.0 111.455 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -64.38 -30.46 71.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.8 -1.188 . . . . 0.0 113.727 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -69.93 -30.03 67.33 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.743 1.156 . . . . 0.0 113.146 170.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -52.2 66.77 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 128.495 2.718 . . . . 0.0 114.684 -177.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -28.39 64.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.552 1.141 . . . . 0.0 112.04 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.8 -8.81 59.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.46 1.904 . . . . 0.0 112.564 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.16 45.03 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.946 1.298 . . . . 0.0 108.94 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.436 ' HB3' ' C2 ' ' A' ' 68' ' ' ' A' . . . -90.43 -16.1 29.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 127.002 2.121 . . . . 0.0 113.855 -175.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 125.368 1.467 . . . . 0.0 112.092 -174.042 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 111.675 3.475 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.767 0 P-O3'-C3' 122.289 2.157 . 0.288 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.25 0 P-O5'-C5' 126.505 3.503 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 1 O4'-C1'-N19 112.923 4.723 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.044 1 N19-C1'-C2' 123.242 6.151 . 0.264 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.455 HO2' " H5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.681 0 O3'-P-O5' 99.093 -2.583 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.455 " H5'" HO2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.824 0 O4'-C1'-N19 110.593 2.393 . 0.572 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 1 O4'-C1'-N19 112.585 4.385 . 0.431 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 1 O4'-C1'-N19 113.858 5.658 . 0.499 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.33 0 C5'-C4'-C3' 110.964 -3.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C5'-C4'-C3' 110.365 -3.423 . 0.543 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 C5'-C4'-C3' 110.66 -3.226 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 112.561 4.361 . 0.636 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 0 C3'-C2'-C1' 103.804 2.56 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 P-O3'-C3' 124.02 3.6 . 0.434 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 1 O4'-C1'-N19 114.723 6.523 . 0.122 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 O4'-C1'-N19 111.644 3.444 . 0.776 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.842 0 C5'-C4'-C3' 111.038 -2.974 . 0.045 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 2 O4'-C1'-N19 112.446 4.246 OUTLIER-EPSILON 0.107 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 3 P-O3'-C3' 126.74 5.867 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.436 ' C2 ' ' HB3' ' B' ' 21' ' ' ALA . . . . . . . . 0 O4'--C4' 1.414 -3.261 1 O4'-C1'-N19 112.565 4.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.145 0 O4'-C1'-N19 111.886 3.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.107 0 C4'-C3'-C2' 98.841 -3.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 C1'-O4'-C4' 106.387 -3.57 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.47 4 C5'-C4'-C3' 124.752 6.168 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.198 3 P-O3'-C3' 128.276 7.147 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.803 0 O4'-C1'-N19 111.405 3.205 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.667 1 C5'-C4'-C3' 108.897 -4.402 . 0.628 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 P-O3'-C3' 123.37 3.058 . 0.13 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 P-O3'-C3' 122.382 2.235 . 0.397 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.486 1 N19-C1'-C2' 106.481 -4.324 . 0.611 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.699 0 O4'-C1'-N19 110.97 2.77 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -102.66 163.65 17.18 Favored Pre-proline 0 CA--C 1.552 1.033 1 C-N-CA 134.253 5.021 . . . . 0.0 115.275 17.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -52.16 136.59 54.16 Favored 'Trans proline' 0 C--N 1.358 1.032 1 C-N-CA 127.154 5.236 . . . . 0.0 112.464 176.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -63.91 5.51 0.22 Allowed 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.464 3.135 . . . . 0.0 119.464 -153.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.12 -48.74 3.84 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-O 117.195 -1.892 . . . . 0.0 111.543 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.447 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -60.15 -27.3 66.97 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.421 2.11 . . . . 0.0 109.826 164.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.08 -59.47 3.76 Favored 'General case' 0 N--CA 1.428 -1.571 0 N-CA-C 106.762 -1.569 . . . . 0.0 106.762 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -49.24 -41.71 38.36 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 119.741 1.155 . . . . 0.0 113.531 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.416 ' CD ' ' C5 ' ' A' ' 72' ' ' ' U' . 0.0 OUTLIER -62.94 -35.35 79.82 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 167.606 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -71.89 -28.71 63.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.131 1.373 . . . . 0.0 112.193 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -36.63 83.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 109.772 -174.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.408 ' HA ' " H1'" ' A' ' 68' ' ' ' A' . 0.1 OUTLIER -65.58 -49.28 69.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 131.675 3.99 . . . . 0.0 111.655 172.327 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -7.96 52.07 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.742 2.017 . . . . 0.0 114.978 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.03 -34.05 33.13 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.127 0.876 . . . . 0.0 111.551 164.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.45 -31.24 7.59 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -154.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.338 -1.791 . . . . 0.0 113.214 -175.02 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.273 0 O4'-C1'-N19 111.517 3.317 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.4 0 C5'-C4'-O4' 113.599 3.142 . 0.418 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 1 O4'-C1'-N19 113.67 5.47 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 1 O4'-C1'-N19 112.899 4.699 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.447 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.21 1 N19-C1'-C2' 122.417 5.636 . 0.69 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.669 HO2' " C5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 P-O3'-C3' 123.03 2.775 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.669 " C5'" HO2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 P-O3'-C3' 123.211 2.926 . 0.513 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.886 1 O4'-C1'-N19 114.442 6.242 . 0.129 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.974 2 O4'-C1'-N19 114.455 6.255 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.699 0 P-O5'-C5' 125.495 2.872 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.85 0 C3'-C2'-C1' 104.368 3.187 . 0.146 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 1 P-O3'-C3' 126.166 5.388 . 0.051 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 112.026 3.826 . 0.312 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.77 1 O4'-C1'-N19 112.62 4.42 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.22 2 O5'-C5'-C4' 116.946 4.819 . 0.023 1o . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.235 1 O4'-C1'-N19 115.963 7.763 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 1 O4'-C1'-N19 113.184 4.984 . 0.596 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.227 1 C4'-C3'-C2' 98.564 -4.136 . 0.081 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.368 2 O4'-C1'-N19 112.821 4.621 . 0.206 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.67 2 N19-C1'-C2' 103.223 -6.361 . 0.043 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.408 " H1'" ' HA ' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.411 -3.522 0 C4'-C3'-C2' 99.145 -3.555 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 2 O4'-C1'-N19 114.46 6.26 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.133 0 P-O3'-C3' 124.454 3.962 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.228 0 O4'-C1'-N19 111.121 2.921 . 0.01 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.416 ' C5 ' ' CD ' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.042 7 O4'-C1'-N19 116.099 7.899 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.202 2 P-O3'-C3' 127.739 6.699 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O4'-C1'-N19 111.086 2.886 . 0.721 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.468 0 P-O3'-C3' 122.694 2.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.417 0 P-O3'-C3' 124.376 3.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.435 0 O5'-C5'-C4' 115.668 3.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 1 O4'-C1'-N19 113.919 5.719 . 0.582 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.36 1 O4'-C1'-N19 112.852 4.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -87.44 157.52 52.86 Favored Pre-proline 0 CA--C 1.56 1.333 1 C-N-CA 134.589 5.156 . . . . 0.0 114.312 2.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -59.33 168.7 4.65 Favored 'Trans proline' 0 C--N 1.362 1.259 1 C-N-CA 126.956 5.104 . . . . 0.0 114.496 -177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -121.84 86.25 2.55 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 112.014 -2.357 . . . . 0.0 106.58 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 2.93 -36.16 0.0 OUTLIER Glycine 0 N--CA 1.481 1.663 1 C-N-CA 136.898 6.952 . . . . 0.0 119.161 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.47 50.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.907 2.083 . . . . 0.0 108.173 163.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.3 -46.1 90.24 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.864 1.266 . . . . 0.0 111.351 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -63.49 -38.17 90.1 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.128 0.422 . . . . 0.0 111.458 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -66.14 -34.42 78.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.549 -1.215 . . . . 0.0 113.298 171.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -76.13 -20.95 57.16 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 117.42 -1.276 . . . . 0.0 113.076 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -63.64 -56.59 14.6 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.141 1.776 . . . . 0.0 112.61 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -63.03 -25.84 68.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.963 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.38 36.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.758 2.023 . . . . 0.0 112.845 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.03 -28.87 60.61 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.892 1.677 . . . . 0.0 110.873 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.53 -15.41 13.51 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 127.424 2.29 . . . . 0.0 116.835 -161.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.213 0 CA-C-N 119.842 1.201 . . . . 0.0 113.15 -166.502 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C5'-C4'-O4' 112.244 2.174 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.59 0 O5'-C5'-C4' 114.162 2.83 . 0.502 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 4 C5'-C4'-O4' 117.127 5.662 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.44 ' C4 ' ' C5 ' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.807 2 C5'-C4'-C3' 105.968 -6.355 . 0.286 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.44 ' C5 ' ' C4 ' ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.335 1 O4'-C1'-N19 115.794 7.594 . 0.214 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.724 HO2' " C5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C3'-C2'-C1' 104.603 3.447 OUTLIER-DELTA 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.724 " C5'" HO2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 112.14 3.94 . 0.015 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 3 O4'-C1'-N19 117.216 9.016 . 0.113 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O5'-C5'-C4' 115.513 3.795 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 P-O5'-C5' 125.458 2.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 O4'-C1'-N19 111.618 3.418 . 0.675 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 111.45 3.25 . 0.216 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.802 1 O4'-C1'-N19 112.553 4.353 . 0.786 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.143 0 C4'-C3'-C2' 99.358 -3.342 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.454 0 O5'-C5'-C4' 114.953 3.395 . 0.258 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 O4'-C1'-N19 114.245 6.045 . 0.092 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 P-O3'-C3' 123.874 3.479 . 0.564 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.271 0 C4'-C3'-C2' 99.501 -3.199 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 2 O4'-C1'-N19 114.837 6.637 OUTLIER-EPSILON 0.079 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 3 P-O3'-C3' 126.877 5.981 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 3 C5'-C4'-C3' 124.304 5.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.953 0 O5'-C5'-C4' 115.447 3.748 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 P-O3'-C3' 124.343 3.869 . 0.088 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.402 ' C4 ' " H1'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 O4'-C1'-C2' 101.848 -3.252 . 0.336 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.483 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.634 3 O4'-C1'-N19 115.954 7.754 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.483 ' C8 ' " H1'" ' A' ' 72' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.073 1 P-O3'-C3' 127.983 6.902 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.933 0 C4'-C3'-C2' 99.426 -3.274 . 0.366 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 P-O3'-C3' 123.39 3.075 . 0.48 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 1 C5'-C4'-C3' 108.989 -4.341 . 0.821 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 P-O3'-C3' 123.168 2.89 . 0.472 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 2 N19-C1'-C2' 106.403 -4.373 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.554 2 C5'-C4'-O4' 115.472 4.48 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -60.5 157.94 33.09 Favored Pre-proline 0 CA--C 1.539 0.537 1 C-N-CA 132.463 4.305 . . . . 0.0 113.23 -3.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -47.1 128.37 13.94 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 124.325 3.35 . . . . 0.0 109.754 163.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 14.33 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.535 1 C-N-CA 132.02 4.128 . . . . 0.0 118.126 -160.18 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.75 -50.48 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 127.475 2.464 . . . . 0.0 112.181 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.19 67.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 118.792 1.296 . . . . 0.0 110.871 166.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.54 -46.97 74.36 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.449 ' HE ' ' N2 ' ' A' ' 71' ' ' ' G' . 37.5 mtp85 -57.45 -24.03 53.25 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.636 1.574 . . . . 0.0 113.155 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -33.96 23.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 128.066 2.546 . . . . 0.0 115.153 164.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -65.85 -16.58 63.96 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 121.229 1.831 . . . . 0.0 112.956 165.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -38.5 67.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 127.684 2.394 . . . . 0.0 112.176 177.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -79.05 -34.48 43.77 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.672 171.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.44 66.8 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.57 -33.19 75.33 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.898 1.279 . . . . 0.0 111.551 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.4 -10.17 4.12 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -151.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 116.217 -1.849 . . . . 0.0 111.271 169.329 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 116.214 8.014 . 0.0 '__' . 0.01 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-O4' 114.004 3.432 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.458 HO2' " H5'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 O4'-C1'-N19 111.643 3.443 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.458 " H5'" HO2' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C5'-C4'-O4' 114.122 3.515 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.403 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.399 -4.505 1 N19-C1'-C2' 121.744 5.215 . 0.115 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.834 HO2' " H5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.321 1 C3'-C2'-C1' 105.221 4.135 . 0.661 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.834 " H5'" HO2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.399 1 O4'-C1'-N19 113.505 5.305 . 0.634 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 1 O4'-C1'-N19 114.544 6.344 . 0.288 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.092 2.88 . 0.023 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 100.221 -2.479 . 0.258 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 1 O4'-C1'-N19 112.252 4.052 . 0.549 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C5'-C4'-C3' 109.814 -3.791 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 O4'-C1'-N19 111.628 3.428 . 0.756 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.865 0 C5'-C4'-O4' 113.75 3.25 . 0.414 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.88 0 N19-C1'-C2' 119.526 3.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.257 1 O4'-C1'-N19 115.645 7.445 . 0.046 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 112.199 3.999 . 0.809 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C5'-C4'-C3' 112.197 -2.202 . 0.022 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.687 1 O4'-C1'-N19 114.392 6.192 OUTLIER-EPSILON 0.191 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.229 4 O4'-C1'-N19 114.533 6.333 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 1 O4'-C1'-N19 114.633 6.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.39 0 P-O3'-C3' 124.493 3.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.162 0 P-O3'-C3' 124.292 3.826 . 0.075 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.449 ' N2 ' ' HE ' ' B' ' 14' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O3'-P-O5' 98.86 -2.705 . 0.612 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 6 C5'-C4'-C3' 126.402 7.268 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.065 1 P-O3'-C3' 126.868 5.973 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.76 1 O4'-C1'-N19 112.707 4.507 . 0.079 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.44 0 O4'-C1'-N19 111.259 3.059 . 0.207 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C4'-C3'-C2' 99.33 -3.37 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 P-O3'-C3' 123.443 3.119 . 0.646 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.58 1 N19-C1'-C2' 106.014 -4.616 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.533 0 C5'-C4'-O4' 112.958 2.685 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 116.871 -1.537 . . . . 0.0 115.109 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -114.05 165.41 13.67 Favored Pre-proline 0 CA--C 1.563 1.467 1 C-N-CA 132.619 4.368 . . . . 0.0 115.37 19.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -56.89 159.0 15.43 Favored 'Trans proline' 0 C--N 1.36 1.174 1 C-N-CA 127.496 5.464 . . . . 0.0 114.546 172.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 2.43 1.78 Allowed 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -165.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.12 -50.26 0.73 Allowed Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.09 2.281 . . . . 0.0 112.401 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.75 -16.4 57.57 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 118.404 1.102 . . . . 0.0 109.766 159.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.51 -50.29 67.98 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 117.617 -1.183 . . . . 0.0 108.985 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -55.45 -35.16 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.09 0.859 . . . . 0.0 112.349 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.41 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 1.0 OUTLIER -69.99 -22.2 63.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 169.63 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -86.15 -11.35 52.83 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.21 1.823 . . . . 0.0 113.743 167.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -52.98 9.76 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.467 1.03 . . . . 0.0 111.015 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.489 HH12 " H5'" ' A' ' 72' ' ' ' U' . 18.9 ptp180 -62.26 -34.61 76.87 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 123.167 0.587 . . . . 0.0 112.114 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.36 -2.94 47.59 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.008 1.723 . . . . 0.0 112.652 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.39 35.44 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.426 1.09 . . . . 0.0 110.632 163.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.19 -6.6 14.55 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.519 2.328 . . . . 0.0 113.58 -168.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 126.006 1.722 . . . . 0.0 110.174 173.336 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.923 0 C4'-C3'-C2' 99.161 -3.539 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.601 0 C3'-C2'-C1' 104.08 2.867 . 0.15 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 P-O3'-C3' 123.654 3.295 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.173 0 O4'-C1'-N19 112.069 3.869 . 0.222 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.72 2 N19-C1'-C2' 120.824 4.64 . 0.568 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 104.514 3.349 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 1 O4'-C1'-N19 114.824 6.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C4'-C3'-C2' 98.825 -3.875 . 0.328 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C3'-C2'-C1' 104.81 3.678 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 P-O3'-C3' 124.062 3.635 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 1 C5'-C4'-C3' 107.583 -5.278 . 0.798 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 1 O4'-C1'-N19 114.129 5.929 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 111.771 3.571 . 0.441 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 O4'-C1'-N19 112.184 3.984 . 0.253 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.411 1 O5'-C5'-C4' 117.506 5.219 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 O4'-C1'-N19 113.729 5.529 . 0.012 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.995 0 O5'-C5'-C4' 115.496 3.783 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.384 0 C5'-C4'-C3' 111.515 -2.657 . 0.181 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C5'-C4'-C3' 110.334 -3.444 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 O4'-C1'-N19 111.732 3.532 . 0.062 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 1 O4'-C1'-N19 112.459 4.259 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.968 0 O4'-C1'-N19 111.954 3.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 99.101 -3.599 . 0.1 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.969 2 O4'-C1'-N19 112.484 4.284 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.489 " H5'" HH12 ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.409 -3.677 3 C5'-C4'-O4' 102.206 -4.996 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.41 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.607 1 P-O3'-C3' 128.042 6.951 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 113.045 4.845 . 0.229 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 O4'-C1'-N19 111.496 3.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.807 3 O5'-C5'-C4' 116.46 4.471 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.556 0 C5'-C4'-O4' 105.117 -2.916 . 0.116 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.155 3 O4'-C1'-N19 113.292 5.092 . 0.221 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.817 0 O4'-C1'-N19 111.698 3.498 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mmp_? -103.24 167.78 9.7 Favored Pre-proline 0 CA--C 1.551 0.983 1 C-N-CA 133.252 4.621 . . . . 0.0 114.819 10.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -36.84 138.11 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.814 1 C-N-CA 128.376 6.05 . . . . 0.0 115.424 162.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.36 -1.29 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 120.181 3.401 . . . . 0.0 120.181 -166.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.58 -45.35 0.5 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.75 1.643 . . . . 0.0 113.112 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.4 ' HB1' ' C6 ' ' A' ' 45' ' ' ' U' . . . -55.13 -20.7 10.8 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.438 2.119 . . . . 0.0 109.177 157.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -60.44 2.91 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.701 1.601 . . . . 0.0 107.777 171.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 60.3 mtp85 -56.52 -39.88 74.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.591 1.087 . . . . 0.0 112.034 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -30.16 70.52 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.072 1.349 . . . . 0.0 113.558 172.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -68.36 -34.17 75.59 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 121.761 2.073 . . . . 0.0 112.862 169.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -48.26 72.36 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.259 1.424 . . . . 0.0 110.28 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.517 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.49 -29.29 70.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.356 175.263 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.23 1.02 34.05 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.32 1.448 . . . . 0.0 113.1 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.25 -33.2 20.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.31 1.044 . . . . 0.0 110.416 159.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.46 -14.79 16.09 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -161.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 C-N-CA 124.916 1.287 . . . . 0.0 112.442 -174.7 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . 0.437 HO2' " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.114 1 O4'-C1'-N19 113.005 4.805 . 0.0 '__' . 0.01 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.437 " H5'" HO2' ' A' ' 41' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.838 0 C5'-C4'-O4' 114.708 3.934 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 C4'-C3'-C2' 99.01 -3.69 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C1'-N19 112.076 3.876 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.4 ' C6 ' ' HB1' ' B' ' 12' ' ' ALA . . . . . . . . 1 O4'--C4' 1.404 -4.044 2 O4'-C1'-N19 114.047 5.847 . 0.613 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.847 HO2' " C5'" ' A' ' 47' ' ' ' G' . . . . . . . . 1 C2'--O2' 1.345 -5.248 1 P-O3'-C3' 125.048 4.457 . 0.085 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.847 " C5'" HO2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.822 1 P-O3'-C3' 125.065 4.471 . 0.414 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 4 O4'-C1'-N19 114.847 6.647 . 0.23 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.67 0 N19-C1'-C2' 119.74 3.962 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 1 P-O3'-C3' 124.948 4.373 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.314 2 O4'-C1'-N19 114.401 6.201 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 1 C5'-C4'-C3' 109.098 -4.268 . 0.664 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 1 O4'-C1'-N19 114.521 6.321 . 0.411 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.486 1 C5'-C4'-O4' 115.308 4.363 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.738 0 N19-C1'-C2' 118.863 3.415 . 0.577 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 1 O4'-C1'-N19 114.579 6.379 . 0.095 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . 0.435 ' C5 ' " H1'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.878 1 O4'-C1'-N19 112.736 4.536 . 0.647 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.435 " H1'" ' C5 ' ' A' ' 63' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C5'-C4'-C3' 110.317 -3.456 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 98.989 -3.711 . 0.547 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.102 1 P-O3'-C3' 126.704 5.837 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.411 " H1'" ' HB3' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.058 1 O4'-C1'-N19 113.712 5.512 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.425 " H2'" ' C8 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.28 1 C3'-C2'-C1' 106.386 5.429 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 0.425 ' C8 ' " H2'" ' A' ' 69' ' ' ' C' . . . . . . . . 1 P--O5' 1.636 4.272 1 P-O3'-C3' 125.265 4.638 . 0.099 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.041 0 C1'-O4'-C4' 107.511 -2.321 . 0.103 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 3 C5'-C4'-O4' 100.912 -5.92 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.485 1 P-O3'-C3' 128.935 7.696 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 O4'-C1'-N19 111.78 3.58 . 0.394 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 2 C5'-C4'-C3' 106.371 -6.086 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 C4'-C3'-C2' 100.067 -2.633 . 0.564 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.562 0 P-O3'-C3' 124.268 3.807 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.927 2 N19-C1'-C2' 106.123 -4.548 . 0.163 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.525 0 C5'-C4'-C3' 112.298 -2.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -109.07 163.2 17.52 Favored Pre-proline 0 CA--C 1.558 1.26 1 C-N-CA 132.029 4.132 . . . . 0.0 114.656 16.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -43.15 129.52 5.97 Favored 'Trans proline' 0 C--N 1.359 1.082 1 C-N-CA 127.547 5.498 . . . . 0.0 113.071 168.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -89.32 65.34 7.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.995 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 27.43 -37.46 0.0 OUTLIER Glycine 0 N--CA 1.483 1.789 1 C-N-CA 136.221 6.629 . . . . 0.0 119.288 171.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.94 -34.13 67.71 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 127.259 2.224 . . . . 0.0 106.873 159.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.69 -57.34 13.45 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 126.728 2.011 . . . . 0.0 106.961 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -25.66 68.44 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.409 HH22 ' N6 ' ' A' ' 73' ' ' ' A' . 0.0 OUTLIER -66.65 -52.48 44.43 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.668 1.187 . . . . 0.0 111.117 160.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.6 -6.39 19.97 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.396 1.453 . . . . 0.0 114.057 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.9 -52.03 10.17 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.704 1.602 . . . . 0.0 111.801 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.43 ' HA ' " H1'" ' A' ' 68' ' ' ' A' . 1.6 ptp180 -61.46 -32.38 72.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.904 0.882 . . . . 0.0 109.702 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.09 -9.38 59.56 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.71 66.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.952 0.796 . . . . 0.0 109.508 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.23 -43.75 10.76 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 129.665 3.186 . . . . 0.0 114.336 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 C-N-CA 125.772 1.629 . . . . 0.0 111.824 -175.11 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 1 O4'-C1'-N19 113.745 5.545 . 0.0 '__' . 0.01 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.694 0 P-O5'-C5' 125.088 2.618 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 O4'-C1'-N19 112.56 4.36 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 1 O4'-C1'-N19 112.913 4.713 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.609 1 O4'-C1'-N19 113.413 5.213 . 0.603 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.357 -4.292 1 C3'-C2'-C1' 106.037 5.041 . 0.479 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 2 O4'-C1'-N19 114.574 6.374 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 2 O4'-C1'-N19 112.967 4.767 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.572 2 N19-C1'-C2' 121.389 4.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C5'-C4'-C3' 111.078 -2.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.909 0 C5'-C4'-C3' 109.89 -3.74 . 0.45 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 1 O4'-C1'-N19 113.161 4.961 . 0.582 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C3'-C2'-C1' 104.271 3.079 . 0.615 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.045 0 C4'-C3'-C2' 98.771 -3.929 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.072 1 O4'-C1'-N19 112.375 4.175 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . 0.41 " H1'" ' C2 ' ' A' ' 63' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 1 O4'-C1'-N19 114.274 6.074 . 0.181 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . 0.41 ' C2 ' " H1'" ' A' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 99.682 -3.018 . 0.597 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.374 0 C4'-C3'-C2' 99.664 -3.036 . 0.11 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 O4'-C1'-N19 111.9 3.7 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.564 1 N19-C1'-C2' 105.776 -4.765 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . 0.43 " H1'" ' HA ' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.407 -3.827 0 N19-C1'-C2' 108.332 -3.167 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.702 2 P-O3'-C3' 125.378 4.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.897 0 C5'-C4'-O4' 113.314 2.938 . 0.046 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 2 C4'-C3'-C2' 98.286 -4.414 . 0.456 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.797 1 P-O3'-C3' 125.114 4.511 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.409 ' N6 ' HH22 ' B' ' 15' ' ' ARG . . . . . . . . 0 C5'--C4' 1.549 3.034 4 O5'-C5'-C4' 120.945 7.675 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.941 2 O4'-C1'-N19 113.15 4.95 . 0.172 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.988 1 P-O3'-C3' 124.888 4.324 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 110.853 -3.098 . 0.504 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.431 ' C5 ' ' C5 ' ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O5'-C5'-C4' 105.523 -3.341 . 0.103 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.431 ' C5 ' ' C5 ' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.354 2 N19-C1'-C2' 104.732 -5.418 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.113 0 O4'-C1'-N19 112.111 3.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 117.295 -1.336 . . . . 0.0 113.024 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -58.48 158.61 14.39 Favored Pre-proline 0 CA--C 1.557 1.239 1 C-N-CA 135.298 5.439 . . . . 0.0 117.018 -7.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -69.9 149.04 65.48 Favored 'Trans proline' 0 C--N 1.359 1.089 1 C-N-CA 126.266 4.644 . . . . 0.0 114.801 -174.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.434 ' O ' ' C8 ' ' A' ' 46' ' ' ' G' . 11.8 p -79.74 -8.41 59.23 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -169.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.62 -46.98 2.94 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 117.805 -1.553 . . . . 0.0 111.701 -167.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.2 -17.58 7.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 121.07 2.435 . . . . 0.0 110.381 162.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.428 ' N ' HH21 ' B' ' 16' ' ' ARG . 1.2 tp10 -64.72 -47.42 78.33 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.424 2.289 . . . . 0.0 110.306 173.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.413 ' CD ' ' H22' ' A' ' 71' ' ' ' G' . 63.5 mtp85 -59.21 -28.33 66.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.18 0.9 . . . . 0.0 111.988 174.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.406 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.3 OUTLIER -79.53 -15.11 58.29 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.666 175.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.428 HH21 ' N ' ' B' ' 13' ' ' GLU . 70.4 mtm180 -110.94 1.42 17.51 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 167.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -50.13 70.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.172 2.189 . . . . 0.0 110.871 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -67.13 -23.44 65.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.519 2.328 . . . . 0.0 112.996 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -5.64 58.21 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.813 2.445 . . . . 0.0 113.227 171.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.51 -28.71 15.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.776 1.231 . . . . 0.0 113.113 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.47 -45.0 8.35 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -160.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.026 -0.987 . . . . 0.0 112.755 171.63 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.866 3.666 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.071 0 C5'-C4'-O4' 112.442 2.316 . 0.512 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 1 O4'-C1'-N19 113.439 5.239 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.599 1 C5'-C4'-O4' 115.459 4.471 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.524 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.173 1 O4'-C1'-N19 115.15 6.95 . 0.459 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.524 ' C8 ' " H2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.254 1 O3'-P-O5' 96.263 -4.072 . 0.303 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.44 HO2' " C5'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 P--O5' 1.624 3.052 2 C3'-C2'-C1' 107.239 6.377 . 0.207 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.44 " C5'" HO2' ' A' ' 47' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.401 -2.468 3 C4'-C3'-C2' 96.983 -5.717 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.832 1 N19-C1'-C2' 123.038 6.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C5'-C4'-O4' 113.166 2.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.892 1 N19-C1'-C2' 120.344 4.34 . 0.059 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 1 O4'-C1'-N19 113.932 5.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.253 0 O4'-C1'-N19 111.921 3.721 . 0.674 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.862 0 O4'-C1'-N19 111.738 3.538 . 0.277 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.281 0 N19-C1'-C2' 119.275 3.672 . 0.062 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 112.319 4.119 . 0.169 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 P-O3'-C3' 123.755 3.379 . 0.695 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.248 1 N19-C1'-C2' 106.057 -4.59 . 0.024 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.918 0 O4'-C1'-N19 111.407 3.207 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 N19-C1'-C2' 106.199 -4.5 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 O4'-C1'-N19 114.442 6.242 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.341 0 O4'-C1'-N19 111.92 3.72 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.093 1 O5'-C5'-C4' 117.107 4.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.413 ' H22' ' CD ' ' B' ' 14' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.573 -2.127 . 0.439 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.465 5 C5'-C4'-O4' 98.015 -7.99 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.406 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.405 -3.981 2 P-O3'-C3' 126.913 6.011 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.146 2 O4'-C1'-N19 114.363 6.163 . 0.405 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 2 N19-C1'-C2' 105.293 -5.067 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.843 1 N19-C1'-C2' 106.407 -4.371 . 0.116 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 3 O4'-C1'-N19 113.783 5.583 . 0.401 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.194 1 N19-C1'-C2' 104.924 -5.297 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.982 0 O4'-C1'-N19 110.893 2.693 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 119.394 -0.336 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -115.1 162.53 23.69 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 131.531 3.933 . . . . 0.0 108.759 -22.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.77 107.81 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.89 1 C-N-CA 125.63 4.22 . . . . 0.0 111.896 -177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -72.6 30.72 0.06 Allowed 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 127.259 2.224 . . . . 0.0 116.582 -165.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.82 -48.0 0.09 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 128.602 3.001 . . . . 0.0 114.836 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.41 68.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.288 1.835 . . . . 0.0 109.859 161.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.88 -57.32 9.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.497 ' HE ' ' N2 ' ' A' ' 71' ' ' ' G' . 65.0 mtp85 -46.76 -33.38 4.32 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 174.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.59 -37.76 55.94 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 165.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -64.03 -11.51 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 121.138 1.79 . . . . 0.0 112.853 172.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.09 -55.21 7.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.029 1.332 . . . . 0.0 111.163 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.498 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.92 -23.61 67.28 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -10.53 57.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.152 1.781 . . . . 0.0 114.026 172.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.87 -30.61 17.78 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.043 1.337 . . . . 0.0 111.462 170.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.77 -19.59 13.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.647 1.979 . . . . 0.0 112.863 -165.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 C-N-CA 127.555 2.342 . . . . 0.0 109.843 167.419 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.013 0 O4'-C1'-N19 110.717 2.517 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.117 0 P-O3'-C3' 122.292 2.16 . 0.162 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 1 O4'-C1'-N19 113.63 5.43 . 0.447 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.594 0 C3'-C2'-C1' 104.207 3.008 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.103 2 N19-C1'-C2' 122.591 5.744 . 0.434 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.748 HO2' " C5'" ' A' ' 47' ' ' ' G' . . . . . . . . 1 C2'--O2' 1.361 -4.02 1 C3'-C2'-C1' 105.219 4.132 . 0.214 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.748 " C5'" HO2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.655 1 O4'-C1'-N19 113.346 5.146 . 0.142 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 1 O4'-C1'-N19 113.639 5.439 . 0.028 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 2 O4'-C1'-N19 117.865 9.665 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 1 O4'-C1'-N19 113.088 4.888 . 0.033 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.916 1 C5'-C4'-C3' 109.24 -4.173 . 0.583 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C5'-C4'-C3' 110.26 -3.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.701 0 O4'-C1'-N19 111.548 3.348 . 0.431 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.801 1 O4'-C1'-N19 112.459 4.259 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.965 0 N19-C1'-C2' 117.796 2.748 . 0.38 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 115.918 7.718 . 0.123 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 113.887 5.687 . 0.599 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C4'-C3'-C2' 99.321 -3.379 . 0.079 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 0 P-O3'-C3' 123.817 3.431 . 0.307 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 1 N19-C1'-C2' 106.367 -4.395 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 2 O4'-C1'-N19 113.783 5.583 . 0.01 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.854 1 P-O3'-C3' 125.914 5.179 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 2 C4'-C3'-C2' 98.258 -4.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.497 ' N2 ' ' HE ' ' B' ' 14' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.832 1 O4'-C1'-N19 112.485 4.285 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.486 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.599 2 O4'-C1'-N19 113.837 5.637 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.486 ' C8 ' " H1'" ' A' ' 72' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.411 -3.462 2 O4'-C1'-N19 113.927 5.727 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.655 0 C5'-C4'-C3' 109.857 -3.762 . 0.034 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.445 0 P-O3'-C3' 124.036 3.614 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 N19-C1'-C2' 106.787 -4.133 . 0.546 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.326 0 C5'-C4'-C3' 109.887 -3.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.432 0 O4'-C1'-N19 111.944 3.744 . 0.504 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.476 0 C5'-C4'-O4' 113.914 3.367 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 CA--C 1.512 -0.483 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.458 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 6.4 mmp_? -139.95 165.05 33.57 Favored Pre-proline 0 CA--C 1.55 0.951 1 C-N-CA 131.987 4.115 . . . . 0.0 109.584 0.501 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.458 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 11.0 Cg_endo -53.09 136.76 62.06 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.614 3.543 . . . . 0.0 111.214 172.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.2 m -96.2 12.2 31.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -161.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -60.66 3.84 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -169.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.81 -33.17 47.9 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.589 1.156 . . . . 0.0 111.416 173.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.78 -44.05 97.2 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.195 2.198 . . . . 0.0 109.523 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.63 -46.45 70.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.236 172.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.4 66.99 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.347 -1.311 . . . . 0.0 113.775 172.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -86.31 -12.18 50.15 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.551 1.523 . . . . 0.0 114.799 172.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -63.72 -57.58 9.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.83 1.252 . . . . 0.0 111.863 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -32.24 70.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.087 1.755 . . . . 0.0 111.262 172.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.09 -11.55 59.92 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.254 1.422 . . . . 0.0 112.235 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.39 -37.38 28.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 167.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.76 -20.86 18.53 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.36 1.864 . . . . 0.0 115.687 -159.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 C-N-CA 125.461 1.505 . . . . 0.0 108.977 168.732 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C5'-C4'-C3' 110.208 -3.528 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.03 0 C5'-C4'-O4' 114.215 3.582 . 0.025 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.268 0 P-O3'-C3' 123.6 3.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.901 1 O4'-C1'-N19 113.027 4.827 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.834 2 N19-C1'-C2' 121.841 5.276 . 0.608 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.352 -4.695 1 C5'-C4'-O4' 102.614 -4.704 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.341 1 O4'-C1'-N19 115.478 7.278 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 2 O4'-C1'-N19 114.094 5.894 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 1 O4'-C1'-N19 112.647 4.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 98.832 -3.868 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 1 P-O3'-C3' 125.541 4.867 . 0.017 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 110.791 2.591 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 N19-C1'-C2' 119.395 3.747 . 0.805 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.754 0 C4'-C3'-C2' 99.15 -3.55 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.78 1 O4'-C1'-N19 112.835 4.635 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.153 2 O4'-C1'-N19 113.998 5.798 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.033 2 O4'-C1'-N19 114.049 5.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.847 -2.853 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.902 1 O4'-C1'-N19 113.443 5.243 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.432 0 N19-C1'-C2' 107.162 -3.898 . 0.086 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 2 O4'-C1'-N19 114.928 6.728 . 0.034 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.824 1 O4'-C1'-N19 112.244 4.044 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C4'-C3'-C2' 99.257 -3.443 . 0.208 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.42 ' C4 ' " H1'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 N19-C1'-C2' 116.75 2.094 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.876 5 C5'-C4'-C3' 126.878 7.586 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.42 " H1'" ' C4 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.746 1 P-O3'-C3' 126.9 6.0 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 1 C5'-C4'-C3' 108.944 -4.37 . 0.496 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 1 C5'-C4'-C3' 107.586 -5.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 0 C3'-C2'-C1' 103.989 2.766 . 0.37 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 P-O3'-C3' 124.374 3.895 . 0.432 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.144 0 N19-C1'-C2' 107.974 -3.391 . 0.013 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.539 1 O4'-C1'-N19 112.771 4.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.576 ' H ' ' HA ' ' B' ' 8' ' ' ARG 0.257 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.576 ' HA ' ' H ' ' B' ' 7' ' ' SER . 7.9 mmp_? -74.6 149.01 85.9 Favored Pre-proline 0 CA--C 1.547 0.861 1 C-N-CA 132.37 4.268 . . . . 0.0 111.69 -3.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.457 ' HG3' HH22 ' B' ' 17' ' ' ARG . 60.1 Cg_endo -56.91 124.84 17.21 Favored 'Trans proline' 0 C--N 1.35 0.642 1 C-N-CA 126.953 5.102 . . . . 0.0 113.875 -166.053 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.0 m -64.5 15.95 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.114 3.005 . . . . 0.0 119.114 -165.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.49 -45.27 0.8 Allowed Glycine 0 CA--C 1.528 0.903 0 C-N-CA 127.122 2.296 . . . . 0.0 113.837 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.41 68.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.079 1.44 . . . . 0.0 108.026 164.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.77 -47.5 84.9 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 126.511 1.924 . . . . 0.0 111.047 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -65.51 -30.04 70.76 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.418 HH22 ' N2 ' ' A' ' 71' ' ' ' G' . 0.2 OUTLIER -70.72 -39.91 73.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.728 1.211 . . . . 0.0 113.86 163.324 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -61.18 -27.36 68.36 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.863 1.21 . . . . 0.0 113.241 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.457 HH22 ' HG3' ' B' ' 9' ' ' PRO . 59.5 mtt180 -63.34 -57.72 9.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.047 2.139 . . . . 0.0 114.136 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -25.68 67.85 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.295 1.038 . . . . 0.0 111.35 175.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 5.1 28.5 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 112.45 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.73 -29.2 20.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.9 1.28 . . . . 0.0 110.779 163.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.98 -48.13 2.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 117.225 2.305 . . . . 0.0 117.225 -153.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 124.71 1.204 . . . . 0.0 110.822 -176.495 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 111.424 3.224 . 0.0 '__' . 0.01 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.283 0 P-O3'-C3' 122.737 2.531 . 0.42 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 1 C4'-C3'-C2' 98.136 -4.564 . 0.152 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 1 O4'-C1'-N19 113.75 5.55 . 0.427 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 0.484 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 O4'-C1'-N19 117.258 9.058 . 0.114 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.489 HO2' " H5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C5'-C4'-C3' 110.694 -3.204 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 0.489 " H5'" HO2' ' A' ' 46' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.543 2.522 1 O4'-C1'-N19 113.605 5.405 . 0.636 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.401 " H2'" " H1'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.834 2 C4'-C3'-C2' 97.377 -5.323 . 0.152 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.401 " H1'" " H2'" ' A' ' 48' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.245 1 N19-C1'-C2' 119.877 4.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 N19-C1'-C2' 117.911 2.819 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.728 0 C3'-C2'-C1' 104.706 3.563 . 0.281 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 P-O3'-C3' 125.935 5.196 . 0.724 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 1 O4'-C1'-N19 112.402 4.202 . 0.305 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.351 0 O4'-C1'-N19 111.808 3.608 . 0.283 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.751 0 P-O3'-C3' 123.759 3.382 . 0.406 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 1 O4'-C1'-N19 113.424 5.224 . 0.245 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 C5'-C4'-C3' 109.899 -3.734 . 0.678 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C5'-C4'-O4' 114.544 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C5'-C4'-C3' 110.437 -3.375 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 0.447 " H3'" ' C8 ' ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.233 3 N19-C1'-C2' 101.935 -7.166 . 0.057 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 99.003 -3.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.39 1 O4'-C1'-N19 112.468 4.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.765 0 O4'-C1'-N19 111.18 2.98 . 0.115 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.418 ' N2 ' HH22 ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.916 1 C3'-C2'-C1' 97.252 -4.72 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.64 4 C5'-C4'-C3' 125.415 6.61 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.947 1 P-O3'-C3' 126.122 5.352 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 O4'-C1'-N19 110.862 2.662 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.47 1 O4'-C1'-N19 112.584 4.384 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 2 C5'-C4'-C3' 109.013 -4.325 . 0.072 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 1 O5'-C5'-C4' 102.202 -5.713 . 0.481 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 2 O4'-C1'-N19 112.28 4.08 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.647 0 C5'-C4'-C3' 110.495 -3.337 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.455 -0.748 0 CA-C-O 122.74 1.058 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.64 21.07 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 130.573 3.549 . . . . 0.0 117.573 -158.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.45 -52.78 0.31 Allowed Glycine 0 CA--C 1.528 0.867 0 C-N-CA 126.688 2.089 . . . . 0.0 112.836 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.71 -38.28 64.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 118.663 1.231 . . . . 0.0 108.961 164.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.545 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 7.0 tt0 -69.58 -32.52 71.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 116.901 -1.523 . . . . 0.0 110.623 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.535 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 31.4 mtp85 -60.81 -48.02 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.224 1.375 . . . . 0.0 112.304 165.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -57.79 -30.42 65.66 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.741 1.155 . . . . 0.0 112.278 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.545 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 41.9 mtm180 -72.78 -20.96 61.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 172.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' B' ' 14' ' ' ARG . 18.0 mmt180 -63.04 -55.89 21.67 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.492 1.042 . . . . 0.0 112.342 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.415 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -68.39 -27.28 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 125.845 1.658 . . . . 0.0 112.003 174.831 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.54 -5.39 59.29 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.306 1.043 . . . . 0.0 113.269 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.52 58.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 165.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 C-N-CA 127.039 2.136 . . . . 0.0 116.25 -170.023 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 CA--C 1.54 0.818 0 N-CA-C 111.291 -0.311 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.7 m -60.08 17.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 131.112 3.765 . . . . 0.0 119.302 -170.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.49 -46.95 0.1 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 128.428 2.918 . . . . 0.0 112.561 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.68 70.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.913 1.857 . . . . 0.0 110.81 164.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.697 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 0.4 OUTLIER -67.15 -45.56 76.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.018 1.327 . . . . 0.0 109.466 173.657 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 57.4 mtp85 -54.61 -29.96 53.37 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 169.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.92 -14.17 37.37 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 165.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.697 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 8.7 mtm-85 -68.35 -20.96 64.76 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 122.263 2.301 . . . . 0.0 111.719 166.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -72.79 -47.94 42.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.144 1.777 . . . . 0.0 113.841 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.05 78.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.958 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -14.54 62.52 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.642 1.977 . . . . 0.0 114.201 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.31 56.69 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.426 1.091 . . . . 0.0 110.764 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.177 0 C-N-CA 125.688 1.595 . . . . 0.0 111.561 -165.447 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 CA--C 1.528 0.183 0 CA-C-O 120.981 0.326 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -76.67 15.47 0.63 Allowed 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -156.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.1 -38.49 0.31 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 127.038 2.256 . . . . 0.0 113.729 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.17 91.28 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 120.791 2.295 . . . . 0.0 109.981 161.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.78 -38.25 83.13 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.34 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -54.09 -40.55 67.34 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.777 1.171 . . . . 0.0 113.206 171.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -23.53 60.13 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.809 2.044 . . . . 0.0 112.803 175.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -86.45 -16.28 37.62 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.902 1.228 . . . . 0.0 113.836 172.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.67 -61.26 2.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.52 1.528 . . . . 0.0 110.263 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -34.85 71.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 130.302 3.441 . . . . 0.0 111.569 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.92 -13.46 60.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.069 1.748 . . . . 0.0 111.455 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.01 -34.13 61.88 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.171 0.589 . . . . 0.0 111.055 169.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.892 0 C-N-CA 126.318 1.847 . . . . 0.0 110.876 -158.714 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo . . . . . 0 N--CA 1.463 -0.297 0 N-CA-C 109.584 -0.968 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.5 8.55 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.331 1 C-N-CA 133.076 4.55 . . . . 0.0 120.328 -167.177 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.58 -40.52 0.23 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 129.432 3.396 . . . . 0.0 114.194 -174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.88 64.71 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.632 1.216 . . . . 0.0 112.214 162.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -34.88 76.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.778 2.031 . . . . 0.0 109.912 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -77.59 -36.39 51.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.827 1.651 . . . . 0.0 111.455 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -64.38 -30.46 71.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.8 -1.188 . . . . 0.0 113.727 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -69.93 -30.03 67.33 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.743 1.156 . . . . 0.0 113.146 170.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -52.2 66.77 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 128.495 2.718 . . . . 0.0 114.684 -177.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -28.39 64.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.552 1.141 . . . . 0.0 112.04 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.8 -8.81 59.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.46 1.904 . . . . 0.0 112.564 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.16 45.03 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.946 1.298 . . . . 0.0 108.94 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.802 0 C-N-CA 127.002 2.121 . . . . 0.0 113.855 -175.515 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo . . . . . 0 N--CA 1.474 0.369 0 CA-C-O 121.185 0.41 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -63.91 5.51 0.22 Allowed 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.464 3.135 . . . . 0.0 119.464 -153.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.12 -48.74 3.84 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-O 117.195 -1.892 . . . . 0.0 111.543 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.3 66.97 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.421 2.11 . . . . 0.0 109.826 164.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HD3' ' B' ' 17' ' ' ARG . 5.4 tp10 -66.08 -59.47 3.76 Favored 'General case' 0 N--CA 1.428 -1.571 0 N-CA-C 106.762 -1.569 . . . . 0.0 106.762 170.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -49.24 -41.71 38.36 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 119.741 1.155 . . . . 0.0 113.531 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -35.35 79.82 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 167.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -71.89 -28.71 63.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.131 1.373 . . . . 0.0 112.193 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -66.59 -36.63 83.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 109.772 -174.26 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.28 69.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 131.675 3.99 . . . . 0.0 111.655 172.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -7.96 52.07 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.742 2.017 . . . . 0.0 114.978 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.03 -34.05 33.13 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.127 0.876 . . . . 0.0 111.551 164.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -154.727 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo . . . . . 0 N--CA 1.477 0.511 0 CA-C-O 122.986 1.161 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -121.84 86.25 2.55 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 112.014 -2.357 . . . . 0.0 106.58 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 2.93 -36.16 0.0 OUTLIER Glycine 0 N--CA 1.481 1.663 1 C-N-CA 136.898 6.952 . . . . 0.0 119.161 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.47 50.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.907 2.083 . . . . 0.0 108.173 163.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.3 -46.1 90.24 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.864 1.266 . . . . 0.0 111.351 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -63.49 -38.17 90.1 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.128 0.422 . . . . 0.0 111.458 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -66.14 -34.42 78.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.549 -1.215 . . . . 0.0 113.298 171.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -76.13 -20.95 57.16 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 117.42 -1.276 . . . . 0.0 113.076 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' B' ' 20' ' ' ALA . 68.3 mtt180 -63.64 -56.59 14.6 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.141 1.776 . . . . 0.0 112.61 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -63.03 -25.84 68.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.963 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.38 36.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.758 2.023 . . . . 0.0 112.845 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 17' ' ' ARG . . . -75.03 -28.87 60.61 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.892 1.677 . . . . 0.0 110.873 173.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.662 0 C-N-CA 127.424 2.29 . . . . 0.0 116.835 -161.007 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.451 -1.014 0 N-CA-C 109.754 -0.902 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 14.33 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.535 1 C-N-CA 132.02 4.128 . . . . 0.0 118.126 -160.18 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.75 -50.48 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 127.475 2.464 . . . . 0.0 112.181 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.19 67.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 118.792 1.296 . . . . 0.0 110.871 166.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.54 -46.97 74.36 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -57.45 -24.03 53.25 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.636 1.574 . . . . 0.0 113.155 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -33.96 23.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 128.066 2.546 . . . . 0.0 115.153 164.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -65.85 -16.58 63.96 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 121.229 1.831 . . . . 0.0 112.956 165.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -38.5 67.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 127.684 2.394 . . . . 0.0 112.176 177.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -79.05 -34.48 43.77 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.672 171.118 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.44 66.8 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.57 -33.19 75.33 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.898 1.279 . . . . 0.0 111.551 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -151.225 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.473 0.29 0 N-CA-C 114.546 0.941 . . . . 0.0 114.546 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 2.43 1.78 Allowed 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -165.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.12 -50.26 0.73 Allowed Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.09 2.281 . . . . 0.0 112.401 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.75 -16.4 57.57 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 118.404 1.102 . . . . 0.0 109.766 159.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.51 -50.29 67.98 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 117.617 -1.183 . . . . 0.0 108.985 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -55.45 -35.16 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.09 0.859 . . . . 0.0 112.349 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -22.2 63.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 169.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -86.15 -11.35 52.83 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.21 1.823 . . . . 0.0 113.743 167.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -52.98 9.76 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.467 1.03 . . . . 0.0 111.015 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -62.26 -34.61 76.87 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 123.167 0.587 . . . . 0.0 112.114 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.36 -2.94 47.59 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.008 1.723 . . . . 0.0 112.652 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.39 35.44 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.426 1.09 . . . . 0.0 110.632 163.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 127.519 2.328 . . . . 0.0 113.58 -168.311 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 CA--C 1.521 -0.174 0 N-CA-C 115.424 1.279 . . . . 0.0 115.424 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.36 -1.29 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 120.181 3.401 . . . . 0.0 120.181 -166.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.58 -45.35 0.5 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.75 1.643 . . . . 0.0 113.112 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.13 -20.7 10.8 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.438 2.119 . . . . 0.0 109.177 157.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -60.44 2.91 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.701 1.601 . . . . 0.0 107.777 171.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 60.3 mtp85 -56.52 -39.88 74.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.591 1.087 . . . . 0.0 112.034 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -30.16 70.52 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.072 1.349 . . . . 0.0 113.558 172.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -68.36 -34.17 75.59 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 121.761 2.073 . . . . 0.0 112.862 169.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -48.26 72.36 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.259 1.424 . . . . 0.0 110.28 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.528 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.49 -29.29 70.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.356 175.263 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.23 1.02 34.05 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.32 1.448 . . . . 0.0 113.1 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.25 -33.2 20.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.31 1.044 . . . . 0.0 110.416 159.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -161.391 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo . . . . . 0 CA--C 1.516 -0.386 0 CA-C-O 121.984 0.743 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -89.32 65.34 7.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.995 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 27.43 -37.46 0.0 OUTLIER Glycine 0 N--CA 1.483 1.789 1 C-N-CA 136.221 6.629 . . . . 0.0 119.288 171.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.94 -34.13 67.71 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 127.259 2.224 . . . . 0.0 106.873 159.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.69 -57.34 13.45 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 126.728 2.011 . . . . 0.0 106.961 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -25.66 68.44 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -52.48 44.43 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.668 1.187 . . . . 0.0 111.117 160.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.6 -6.39 19.97 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.396 1.453 . . . . 0.0 114.057 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.9 -52.03 10.17 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.704 1.602 . . . . 0.0 111.801 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -61.46 -32.38 72.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.904 0.882 . . . . 0.0 109.702 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.09 -9.38 59.56 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.71 66.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.952 0.796 . . . . 0.0 109.508 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.728 0 C-N-CA 129.665 3.186 . . . . 0.0 114.336 175.792 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo . . . . . 0 CA--C 1.531 0.372 0 N-CA-C 114.801 1.039 . . . . 0.0 114.801 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -79.74 -8.41 59.23 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -169.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.62 -46.98 2.94 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 117.805 -1.553 . . . . 0.0 111.701 -167.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.2 -17.58 7.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 121.07 2.435 . . . . 0.0 110.381 162.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.453 ' N ' HH21 ' B' ' 16' ' ' ARG . 1.2 tp10 -64.72 -47.42 78.33 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.424 2.289 . . . . 0.0 110.306 173.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -59.21 -28.33 66.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.18 0.9 . . . . 0.0 111.988 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -15.11 58.29 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.666 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.453 HH21 ' N ' ' B' ' 13' ' ' GLU . 70.4 mtm180 -110.94 1.42 17.51 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 167.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -50.13 70.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.172 2.189 . . . . 0.0 110.871 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -67.13 -23.44 65.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.519 2.328 . . . . 0.0 112.996 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -5.64 58.21 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.813 2.445 . . . . 0.0 113.227 171.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.51 -28.71 15.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.776 1.231 . . . . 0.0 113.113 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -160.725 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.462 -0.371 0 CA-C-O 121.319 0.466 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -72.6 30.72 0.06 Allowed 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 127.259 2.224 . . . . 0.0 116.582 -165.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.82 -48.0 0.09 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 128.602 3.001 . . . . 0.0 114.836 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.41 68.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.288 1.835 . . . . 0.0 109.859 161.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.88 -57.32 9.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -46.76 -33.38 4.32 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 174.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.59 -37.76 55.94 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 165.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.476 ' HA ' ' HB3' ' B' ' 19' ' ' ALA . 67.4 mtm180 -64.03 -11.51 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 121.138 1.79 . . . . 0.0 112.853 172.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.09 -55.21 7.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.029 1.332 . . . . 0.0 111.163 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ARG . . . . . 0.511 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.92 -23.61 67.28 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' B' ' 16' ' ' ARG . . . -84.24 -10.53 57.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.152 1.781 . . . . 0.0 114.026 172.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.87 -30.61 17.78 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.043 1.337 . . . . 0.0 111.462 170.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.561 0 C-N-CA 126.647 1.979 . . . . 0.0 112.863 -165.34 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 N--CA 1.46 -0.469 0 CA-C-O 122.045 0.769 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.2 m -96.2 12.2 31.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -161.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -60.66 3.84 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -169.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.81 -33.17 47.9 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.589 1.156 . . . . 0.0 111.416 173.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.78 -44.05 97.2 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.195 2.198 . . . . 0.0 109.523 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.499 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 1.7 mtm180 -53.63 -46.45 70.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.236 172.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.4 66.99 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.347 -1.311 . . . . 0.0 113.775 172.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.593 ' HA ' ' HB3' ' B' ' 19' ' ' ALA . 4.9 mtp180 -86.31 -12.18 50.15 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.551 1.523 . . . . 0.0 114.799 172.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.499 ' HG2' ' HA ' ' B' ' 14' ' ' ARG . 22.2 mmt180 -63.72 -57.58 9.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.83 1.252 . . . . 0.0 111.863 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -32.24 70.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.087 1.755 . . . . 0.0 111.262 172.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' B' ' 16' ' ' ARG . . . -78.09 -11.55 59.92 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.254 1.422 . . . . 0.0 112.235 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.39 -37.38 28.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 167.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 C-N-CA 126.36 1.864 . . . . 0.0 115.687 -159.203 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.476 ' HG3' HH22 ' B' ' 17' ' ' ARG . 60.1 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 N-CA-C 113.875 0.683 . . . . 0.0 113.875 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.0 m -64.5 15.95 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.114 3.005 . . . . 0.0 119.114 -165.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.49 -45.27 0.8 Allowed Glycine 0 CA--C 1.528 0.903 0 C-N-CA 127.122 2.296 . . . . 0.0 113.837 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.41 68.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.079 1.44 . . . . 0.0 108.026 164.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.77 -47.5 84.9 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 126.511 1.924 . . . . 0.0 111.047 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -65.51 -30.04 70.76 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -39.91 73.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.728 1.211 . . . . 0.0 113.86 163.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -61.18 -27.36 68.36 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.863 1.21 . . . . 0.0 113.241 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.476 HH22 ' HG3' ' B' ' 9' ' ' PRO . 59.5 mtt180 -63.34 -57.72 9.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.047 2.139 . . . . 0.0 114.136 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -25.68 67.85 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.295 1.038 . . . . 0.0 111.35 175.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 5.1 28.5 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 112.45 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.73 -29.2 20.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.9 1.28 . . . . 0.0 110.779 163.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 117.225 2.305 . . . . 0.0 117.225 -153.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.453 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 9.2 mmp_? -62.27 164.82 10.09 Favored Pre-proline 0 CA--C 1.539 0.544 1 C-N-CA 135.419 5.487 . . . . 0.0 117.088 1.632 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 9.5 Cg_endo -53.73 132.34 48.81 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 124.105 3.204 . . . . 0.0 110.983 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.64 21.07 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 130.573 3.549 . . . . 0.0 117.573 -158.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.45 -52.78 0.31 Allowed Glycine 0 CA--C 1.528 0.867 0 C-N-CA 126.688 2.089 . . . . 0.0 112.836 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.402 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -53.71 -38.28 64.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 118.663 1.231 . . . . 0.0 108.961 164.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.545 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 7.0 tt0 -69.58 -32.52 71.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 116.901 -1.523 . . . . 0.0 110.623 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.535 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 31.4 mtp85 -60.81 -48.02 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.224 1.375 . . . . 0.0 112.304 165.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -57.79 -30.42 65.66 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.741 1.155 . . . . 0.0 112.278 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.545 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 41.9 mtm180 -72.78 -20.96 61.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 172.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' B' ' 14' ' ' ARG . 18.0 mmt180 -63.04 -55.89 21.67 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.492 1.042 . . . . 0.0 112.342 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.46 ' HA ' " H1'" ' A' ' 68' ' ' ' A' . 0.0 OUTLIER -68.39 -27.28 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 125.845 1.658 . . . . 0.0 112.003 174.831 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.54 -5.39 59.29 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.306 1.043 . . . . 0.0 113.269 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.52 58.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 165.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.14 -38.09 8.68 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.039 2.136 . . . . 0.0 116.25 -170.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 116.559 -1.686 . . . . 0.0 112.596 -172.914 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.35 0 C5'-C4'-C3' 111.404 -2.731 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C3'-C2'-C1' 103.978 2.753 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 2 C4'-C3'-C2' 97.528 -5.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 0 P-O3'-C3' 123.778 3.398 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.402 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.405 -3.993 2 N19-C1'-C2' 120.92 4.7 . 0.564 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.613 0 C3'-C2'-C1' 104.592 3.436 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.548 2.165 1 O4'-C1'-N19 116.469 8.269 . 0.081 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.77 0 C5'-C4'-C3' 110.327 -3.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 2 O4'-C1'-N19 118.588 10.388 . 0.277 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 O4'-C1'-N19 113.496 5.296 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 1 C5'-C4'-C3' 106.663 -5.892 . 0.747 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 1 C5'-C4'-C3' 107.899 -5.067 . 0.364 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.401 ' C4 ' ' C4 ' ' A' ' 60' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 O4'-C1'-N19 112.004 3.804 . 0.164 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . 0.401 ' C4 ' ' C4 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 O4'-C1'-N19 111.322 3.122 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.723 1 N19-C1'-C2' 120.4 4.375 . 0.18 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.517 1 O4'-C1'-N19 115.377 7.177 . 0.053 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 P-O3'-C3' 124.292 3.827 . 0.799 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.48 0 C4'-C3'-C2' 99.709 -2.991 . 0.077 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.325 1 C2'-C3'-O3' 122.442 4.086 OUTLIER-EPSILON 0.446 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 1 P-O3'-C3' 127.257 6.297 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.46 " H1'" ' HA ' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.554 1 O4'-C1'-N19 114.37 6.17 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 O4'-C1'-N19 111.944 3.744 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.618 1 N19-C1'-C2' 106.898 -4.063 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C5'-C4'-C3' 111.299 -2.801 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.49 4 O4'-C1'-N19 112.671 4.471 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.635 1 P-O3'-C3' 128.205 7.088 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.027 1 O4'-C1'-N19 113.2 5.0 . 0.085 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.415 0 P-O3'-C3' 123.73 3.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C5'-C4'-C3' 111.742 -2.506 . 0.672 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.428 1 O5'-C5'-C4' 116.392 4.423 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.156 1 N19-C1'-C2' 105.644 -4.847 . 0.056 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.844 0 C5'-C4'-C3' 109.791 -3.806 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.44 ' HA ' ' CZ ' ' B' ' 8' ' ' ARG . 5.8 m . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' B' ' 7' ' ' SER . 9.5 mmp_? -156.15 167.39 14.42 Favored Pre-proline 0 CA--C 1.559 1.294 1 C-N-CA 134.809 5.244 . . . . 0.0 109.957 9.333 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.91 121.96 9.43 Favored 'Trans proline' 0 CA--C 1.54 0.818 1 C-N-CA 126.269 4.646 . . . . 0.0 111.291 166.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.7 m -60.08 17.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 131.112 3.765 . . . . 0.0 119.302 -170.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.49 -46.95 0.1 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 128.428 2.918 . . . . 0.0 112.561 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.464 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -63.75 -29.68 70.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.913 1.857 . . . . 0.0 110.81 164.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.697 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 0.4 OUTLIER -67.15 -45.56 76.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.018 1.327 . . . . 0.0 109.466 173.657 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.509 HH12 ' H41' ' A' ' 69' ' ' ' C' . 57.4 mtp85 -54.61 -29.96 53.37 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 169.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.411 HH22 ' N6 ' ' A' ' 73' ' ' ' A' . 0.6 OUTLIER -88.92 -14.17 37.37 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 165.586 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.697 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 8.7 mtm-85 -68.35 -20.96 64.76 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 122.263 2.301 . . . . 0.0 111.719 166.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -72.79 -47.94 42.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.144 1.777 . . . . 0.0 113.841 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.05 78.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.958 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -14.54 62.52 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.642 1.977 . . . . 0.0 114.201 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.31 56.69 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.426 1.091 . . . . 0.0 110.764 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.92 -31.34 12.24 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 125.688 1.595 . . . . 0.0 111.561 -165.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.739 -1.124 . . . . 0.0 110.47 158.809 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.582 -2.118 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.193 0 C4'-C3'-C2' 99.984 -2.716 . 0.156 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 P-O3'-C3' 123.848 3.457 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.46 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.552 2 O4'-C1'-N19 112.723 4.523 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.464 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.718 3 N19-C1'-C2' 121.263 4.915 . 0.502 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C3'-C2'-C1' 103.986 2.762 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 P-O3'-C3' 122.967 2.723 . 0.751 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.432 " H2'" " O4'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.62 2.66 4 O4'-C1'-N19 116.218 8.018 . 0.202 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.432 " O4'" " H2'" ' A' ' 48' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.405 -4.024 0 N19-C1'-C2' 119.539 3.837 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.231 0 C5'-C4'-O4' 113.06 2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 O4'-C1'-N19 112.813 4.613 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 O4'-C1'-N19 111.01 2.81 . 0.021 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.058 2 O4'-C1'-N19 112.514 4.314 . 0.806 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.058 1 O4'-C1'-N19 114.553 6.353 . 0.106 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.551 0 P-O3'-C3' 123.392 3.077 . 0.406 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 O4'-C1'-N19 114.347 6.147 . 0.331 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 P-O3'-C3' 124.179 3.732 . 0.762 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.417 ' C5 ' ' C5 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 P--O5' 1.63 3.718 0 P-O3'-C3' 124.48 3.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.417 ' C5 ' ' C5 ' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.778 1 O4'-C1'-N19 113.482 5.282 . 0.386 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.791 0 N19-C1'-C2' 107.611 -3.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 5 O4'-C1'-N19 116.306 8.106 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.509 ' H41' HH12 ' B' ' 14' ' ' ARG . . . . . . . . 1 P--O5' 1.636 4.264 3 P-O3'-C3' 127.576 6.563 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 1 P-O3'-C3' 128.441 7.284 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.46 ' N2 ' ' HE ' ' B' ' 14' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 99.467 -2.258 . 0.298 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.735 6 C5'-C4'-O4' 99.287 -7.081 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.411 ' N6 ' HH22 ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.237 1 P-O3'-C3' 127.836 6.78 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O4'-C1'-N19 110.627 2.427 . 0.357 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C5'-C4'-C3' 110.723 -3.185 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 N19-C1'-C2' 107.687 -3.57 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.446 0 O5'-C5'-C4' 114.864 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.462 0 O4'-C1'-N19 111.341 3.141 . 0.174 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.909 0 O5'-C5'-C4' 114.215 2.868 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -55.75 157.47 7.73 Favored Pre-proline 0 CA--C 1.551 1.0 1 C-N-CA 133.128 4.571 . . . . 0.0 112.379 -3.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -48.13 129.84 19.35 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 124.664 3.576 . . . . 0.0 112.589 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -76.67 15.47 0.63 Allowed 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -156.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.1 -38.49 0.31 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 127.038 2.256 . . . . 0.0 113.729 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.17 91.28 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 120.791 2.295 . . . . 0.0 109.981 161.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.78 -38.25 83.13 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.34 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -54.09 -40.55 67.34 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.777 1.171 . . . . 0.0 113.206 171.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.447 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.3 OUTLIER -73.44 -23.53 60.13 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.809 2.044 . . . . 0.0 112.803 175.479 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -86.45 -16.28 37.62 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.902 1.228 . . . . 0.0 113.836 172.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.67 -61.26 2.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.52 1.528 . . . . 0.0 110.263 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -34.85 71.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 130.302 3.441 . . . . 0.0 111.569 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.92 -13.46 60.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.069 1.748 . . . . 0.0 111.455 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.01 -34.13 61.88 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.171 0.589 . . . . 0.0 111.055 169.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.54 -78.22 0.56 Allowed 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 126.318 1.847 . . . . 0.0 110.876 -158.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.242 1.817 . . . . 0.0 108.814 171.552 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C5'-C4'-C3' 111.077 -2.949 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C3'-C2'-C1' 103.787 2.541 . 0.296 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 113.005 4.805 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.462 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.372 2 O4'-C1'-N19 112.675 4.475 . 0.476 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.462 " O4'" " H2'" ' A' ' 44' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.448 2 O4'-C1'-N19 114.0 5.8 . 0.553 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.893 0 O3'-P-O5' 97.734 -3.298 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 1 O4'-C1'-N19 115.514 7.314 . 0.523 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.078 2 O4'-C1'-N19 114.83 6.63 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.432 " H2'" ' C8 ' ' A' ' 50' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.911 1 O4'-C1'-N19 116.89 8.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.432 ' C8 ' " H2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 O4'-C1'-N19 111.415 3.215 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.325 2 C5'-C4'-C3' 108.76 -4.493 . 0.392 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.411 ' C6 ' ' C5 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 P-O3'-C3' 124.046 3.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . 0.411 ' C5 ' ' C6 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 O4'-C1'-N19 111.742 3.542 . 0.902 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.676 1 O4'-C1'-N19 113.348 5.148 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.524 0 O5'-C5'-C4' 115.241 3.601 . 0.011 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C3'-C2'-C1' 104.927 3.808 . 0.073 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C4'-C3'-C2' 98.65 -4.05 . 0.259 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.309 0 P-O3'-C3' 123.634 3.279 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 O4'-C1'-N19 111.184 2.984 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.78 1 N19-C1'-C2' 105.79 -4.756 . 0.533 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 C4'-C3'-C2' 98.816 -3.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 3 O4'-C1'-N19 118.202 10.002 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.775 0 C5'-C4'-O4' 113.829 3.306 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 0 C1'-O4'-C4' 107.045 -2.839 OUTLIER-EPSILON 0.434 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.866 3 C1'-O4'-C4' 105.103 -4.997 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.447 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 1 O4'--C4' 1.404 -4.095 1 P-O3'-C3' 127.105 6.171 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 0 O4'-C1'-N19 111.517 3.317 . 0.404 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 2 P-O3'-C3' 124.594 4.078 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 2 O4'-C1'-N19 112.897 4.697 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.762 0 P-O3'-C3' 122.679 2.483 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.505 1 C4'-C3'-C2' 98.556 -4.144 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.188 0 C5'-C4'-C3' 110.537 -3.309 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 117.502 -1.237 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -77.91 165.22 52.39 Favored Pre-proline 0 CA--C 1.547 0.85 1 C-N-CA 133.809 4.844 . . . . 0.0 114.111 1.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -63.08 120.16 7.51 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 124.315 3.343 . . . . 0.0 109.584 -175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.5 8.55 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.331 1 C-N-CA 133.076 4.55 . . . . 0.0 120.328 -167.177 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.58 -40.52 0.23 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 129.432 3.396 . . . . 0.0 114.194 -174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.464 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -68.29 -22.88 64.71 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.632 1.216 . . . . 0.0 112.214 162.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -34.88 76.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.778 2.031 . . . . 0.0 109.912 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -77.59 -36.39 51.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.827 1.651 . . . . 0.0 111.455 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -64.38 -30.46 71.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.8 -1.188 . . . . 0.0 113.727 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -69.93 -30.03 67.33 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.743 1.156 . . . . 0.0 113.146 170.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -52.2 66.77 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 128.495 2.718 . . . . 0.0 114.684 -177.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -28.39 64.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.552 1.141 . . . . 0.0 112.04 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.8 -8.81 59.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.46 1.904 . . . . 0.0 112.564 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.16 45.03 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.946 1.298 . . . . 0.0 108.94 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' C2 ' ' A' ' 68' ' ' ' A' . . . -90.43 -16.1 29.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 127.002 2.121 . . . . 0.0 113.855 -175.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 125.368 1.467 . . . . 0.0 112.092 -174.042 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 111.675 3.475 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.767 0 P-O3'-C3' 122.289 2.157 . 0.288 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.25 0 P-O5'-C5' 126.505 3.503 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.485 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.527 1 O4'-C1'-N19 112.923 4.723 . 0.684 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.485 " O4'" " H2'" ' A' ' 44' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.044 1 N19-C1'-C2' 123.242 6.151 . 0.264 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.681 0 O3'-P-O5' 99.093 -2.583 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.824 0 O4'-C1'-N19 110.593 2.393 . 0.572 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 1 O4'-C1'-N19 112.585 4.385 . 0.431 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 1 O4'-C1'-N19 113.858 5.658 . 0.499 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.33 0 C5'-C4'-C3' 110.964 -3.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C5'-C4'-C3' 110.365 -3.423 . 0.543 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 C5'-C4'-C3' 110.66 -3.226 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 112.561 4.361 . 0.636 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 0 C3'-C2'-C1' 103.804 2.56 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 P-O3'-C3' 124.02 3.6 . 0.434 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 1 O4'-C1'-N19 114.723 6.523 . 0.122 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 O4'-C1'-N19 111.644 3.444 . 0.776 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.842 0 C5'-C4'-C3' 111.038 -2.974 . 0.045 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 2 O4'-C1'-N19 112.446 4.246 OUTLIER-EPSILON 0.107 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 3 P-O3'-C3' 126.74 5.867 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.419 ' C2 ' ' HB1' ' B' ' 21' ' ' ALA . . . . . . . . 0 O4'--C4' 1.414 -3.261 1 O4'-C1'-N19 112.565 4.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.145 0 O4'-C1'-N19 111.886 3.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.107 0 C4'-C3'-C2' 98.841 -3.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 C1'-O4'-C4' 106.387 -3.57 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.47 4 C5'-C4'-C3' 124.752 6.168 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.198 3 P-O3'-C3' 128.276 7.147 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.803 0 O4'-C1'-N19 111.405 3.205 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.667 1 C5'-C4'-C3' 108.897 -4.402 . 0.628 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 P-O3'-C3' 123.37 3.058 . 0.13 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 P-O3'-C3' 122.382 2.235 . 0.397 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.486 1 N19-C1'-C2' 106.481 -4.324 . 0.611 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.699 0 O4'-C1'-N19 110.97 2.77 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -102.66 163.65 17.18 Favored Pre-proline 0 CA--C 1.552 1.033 1 C-N-CA 134.253 5.021 . . . . 0.0 115.275 17.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -52.16 136.59 54.16 Favored 'Trans proline' 0 C--N 1.358 1.032 1 C-N-CA 127.154 5.236 . . . . 0.0 112.464 176.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -63.91 5.51 0.22 Allowed 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.464 3.135 . . . . 0.0 119.464 -153.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.12 -48.74 3.84 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-O 117.195 -1.892 . . . . 0.0 111.543 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.575 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -60.15 -27.3 66.97 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.421 2.11 . . . . 0.0 109.826 164.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HD3' ' B' ' 17' ' ' ARG . 5.4 tp10 -66.08 -59.47 3.76 Favored 'General case' 0 N--CA 1.428 -1.571 0 N-CA-C 106.762 -1.569 . . . . 0.0 106.762 170.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -49.24 -41.71 38.36 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 119.741 1.155 . . . . 0.0 113.531 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.466 ' HD3' ' C5 ' ' A' ' 72' ' ' ' U' . 0.0 OUTLIER -62.94 -35.35 79.82 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 167.606 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -71.89 -28.71 63.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.131 1.373 . . . . 0.0 112.193 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -66.59 -36.63 83.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 109.772 -174.26 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.28 69.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 131.675 3.99 . . . . 0.0 111.655 172.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -7.96 52.07 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.742 2.017 . . . . 0.0 114.978 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.03 -34.05 33.13 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.127 0.876 . . . . 0.0 111.551 164.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.45 -31.24 7.59 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -154.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.338 -1.791 . . . . 0.0 113.214 -175.02 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.273 0 O4'-C1'-N19 111.517 3.317 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.4 0 C5'-C4'-O4' 113.599 3.142 . 0.418 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 1 O4'-C1'-N19 113.67 5.47 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 1 O4'-C1'-N19 112.899 4.699 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.575 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.21 1 N19-C1'-C2' 122.417 5.636 . 0.69 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.4 ' C8 ' " H2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 P-O3'-C3' 123.03 2.775 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 P-O3'-C3' 123.211 2.926 . 0.513 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.886 1 O4'-C1'-N19 114.442 6.242 . 0.129 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.974 2 O4'-C1'-N19 114.455 6.255 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.699 0 P-O5'-C5' 125.495 2.872 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.85 0 C3'-C2'-C1' 104.368 3.187 . 0.146 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 1 P-O3'-C3' 126.166 5.388 . 0.051 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 112.026 3.826 . 0.312 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.77 1 O4'-C1'-N19 112.62 4.42 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.22 2 O5'-C5'-C4' 116.946 4.819 . 0.023 1o . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.235 1 O4'-C1'-N19 115.963 7.763 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 1 O4'-C1'-N19 113.184 4.984 . 0.596 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.227 1 C4'-C3'-C2' 98.564 -4.136 . 0.081 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.368 2 O4'-C1'-N19 112.821 4.621 . 0.206 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.67 2 N19-C1'-C2' 103.223 -6.361 . 0.043 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.522 0 C4'-C3'-C2' 99.145 -3.555 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 2 O4'-C1'-N19 114.46 6.26 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.133 0 P-O3'-C3' 124.454 3.962 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.228 0 O4'-C1'-N19 111.121 2.921 . 0.01 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.466 ' C5 ' ' HD3' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.042 7 O4'-C1'-N19 116.099 7.899 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.202 2 P-O3'-C3' 127.739 6.699 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O4'-C1'-N19 111.086 2.886 . 0.721 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.468 0 P-O3'-C3' 122.694 2.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.417 0 P-O3'-C3' 124.376 3.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.435 0 O5'-C5'-C4' 115.668 3.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 1 O4'-C1'-N19 113.919 5.719 . 0.582 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.36 1 O4'-C1'-N19 112.852 4.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -87.44 157.52 52.86 Favored Pre-proline 0 CA--C 1.56 1.333 1 C-N-CA 134.589 5.156 . . . . 0.0 114.312 2.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -59.33 168.7 4.65 Favored 'Trans proline' 0 C--N 1.362 1.259 1 C-N-CA 126.956 5.104 . . . . 0.0 114.496 -177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -121.84 86.25 2.55 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 112.014 -2.357 . . . . 0.0 106.58 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 2.93 -36.16 0.0 OUTLIER Glycine 0 N--CA 1.481 1.663 1 C-N-CA 136.898 6.952 . . . . 0.0 119.161 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.501 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -53.5 -32.47 50.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.907 2.083 . . . . 0.0 108.173 163.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.3 -46.1 90.24 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.864 1.266 . . . . 0.0 111.351 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -63.49 -38.17 90.1 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.128 0.422 . . . . 0.0 111.458 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.446 HH12 ' H21' ' A' ' 71' ' ' ' G' . 1.7 mpp_? -66.14 -34.42 78.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.549 -1.215 . . . . 0.0 113.298 171.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -76.13 -20.95 57.16 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 117.42 -1.276 . . . . 0.0 113.076 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' B' ' 20' ' ' ALA . 68.3 mtt180 -63.64 -56.59 14.6 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.141 1.776 . . . . 0.0 112.61 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -63.03 -25.84 68.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.963 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.38 36.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.758 2.023 . . . . 0.0 112.845 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 17' ' ' ARG . . . -75.03 -28.87 60.61 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.892 1.677 . . . . 0.0 110.873 173.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.41 ' HB1' ' C2 ' ' A' ' 68' ' ' ' A' . . . -111.53 -15.41 13.51 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 127.424 2.29 . . . . 0.0 116.835 -161.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.512 ' HB2' ' H2 ' ' A' ' 68' ' ' ' A' . . . . . . . . 0 C--O 1.252 1.213 0 CA-C-N 119.842 1.201 . . . . 0.0 113.15 -166.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C5'-C4'-O4' 112.244 2.174 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.59 0 O5'-C5'-C4' 114.162 2.83 . 0.502 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 4 C5'-C4'-O4' 117.127 5.662 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.44 ' C4 ' ' C5 ' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.807 2 C5'-C4'-C3' 105.968 -6.355 . 0.286 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.501 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.413 -3.335 1 O4'-C1'-N19 115.794 7.594 . 0.214 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C3'-C2'-C1' 104.603 3.447 OUTLIER-DELTA 0.029 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 112.14 3.94 . 0.015 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 3 O4'-C1'-N19 117.216 9.016 . 0.113 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O5'-C5'-C4' 115.513 3.795 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 P-O5'-C5' 125.458 2.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 O4'-C1'-N19 111.618 3.418 . 0.675 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 111.45 3.25 . 0.216 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.802 1 O4'-C1'-N19 112.553 4.353 . 0.786 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.143 0 C4'-C3'-C2' 99.358 -3.342 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.454 0 O5'-C5'-C4' 114.953 3.395 . 0.258 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 O4'-C1'-N19 114.245 6.045 . 0.092 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 P-O3'-C3' 123.874 3.479 . 0.564 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.271 0 C4'-C3'-C2' 99.501 -3.199 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 2 O4'-C1'-N19 114.837 6.637 OUTLIER-EPSILON 0.079 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 3 P-O3'-C3' 126.877 5.981 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.512 ' H2 ' ' HB2' ' B' ' 22' ' ' ALA . . . . . . . . 0 O4'--C4' 1.418 -2.899 3 C5'-C4'-C3' 124.304 5.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.953 0 O5'-C5'-C4' 115.447 3.748 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 P-O3'-C3' 124.343 3.869 . 0.088 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.446 ' H21' HH12 ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 O4'-C1'-C2' 101.848 -3.252 . 0.336 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.473 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.634 3 O4'-C1'-N19 115.954 7.754 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.473 ' C8 ' " H1'" ' A' ' 72' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.073 1 P-O3'-C3' 127.983 6.902 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.933 0 C4'-C3'-C2' 99.426 -3.274 . 0.366 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 P-O3'-C3' 123.39 3.075 . 0.48 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 1 C5'-C4'-C3' 108.989 -4.341 . 0.821 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 P-O3'-C3' 123.168 2.89 . 0.472 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 2 N19-C1'-C2' 106.403 -4.373 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.554 2 C5'-C4'-O4' 115.472 4.48 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.401 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 7.6 mmp_? -60.5 157.94 33.09 Favored Pre-proline 0 CA--C 1.539 0.537 1 C-N-CA 132.463 4.305 . . . . 0.0 113.23 -3.07 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 6.9 Cg_endo -47.1 128.37 13.94 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 124.325 3.35 . . . . 0.0 109.754 163.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 14.33 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.535 1 C-N-CA 132.02 4.128 . . . . 0.0 118.126 -160.18 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.75 -50.48 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 127.475 2.464 . . . . 0.0 112.181 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.506 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -58.61 -30.19 67.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 118.792 1.296 . . . . 0.0 110.871 166.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.54 -46.97 74.36 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.471 ' HE ' ' N2 ' ' A' ' 71' ' ' ' G' . 37.5 mtp85 -57.45 -24.03 53.25 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.636 1.574 . . . . 0.0 113.155 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -33.96 23.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 128.066 2.546 . . . . 0.0 115.153 164.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -65.85 -16.58 63.96 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 121.229 1.831 . . . . 0.0 112.956 165.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -38.5 67.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 127.684 2.394 . . . . 0.0 112.176 177.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.42 ' HB3' " H1'" ' A' ' 68' ' ' ' A' 0.26 0.0 OUTLIER -79.05 -34.48 43.77 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.672 171.118 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.44 66.8 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.57 -33.19 75.33 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.898 1.279 . . . . 0.0 111.551 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.404 ' HB1' ' C6 ' ' A' ' 68' ' ' ' A' . . . -130.4 -10.17 4.12 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -151.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 116.217 -1.849 . . . . 0.0 111.271 169.329 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 116.214 8.014 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-O4' 114.004 3.432 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 O4'-C1'-N19 111.643 3.443 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.457 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C5'-C4'-O4' 114.122 3.515 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.506 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 1 O4'--C4' 1.399 -4.505 1 N19-C1'-C2' 121.744 5.215 . 0.115 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.454 " O2'" " H5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.321 1 C3'-C2'-C1' 105.221 4.135 . 0.661 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 0.454 " H5'" " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.399 1 O4'-C1'-N19 113.505 5.305 . 0.634 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 1 O4'-C1'-N19 114.544 6.344 . 0.288 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.092 2.88 . 0.023 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 100.221 -2.479 . 0.258 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 1 O4'-C1'-N19 112.252 4.052 . 0.549 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C5'-C4'-C3' 109.814 -3.791 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 O4'-C1'-N19 111.628 3.428 . 0.756 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.865 0 C5'-C4'-O4' 113.75 3.25 . 0.414 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.88 0 N19-C1'-C2' 119.526 3.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.257 1 O4'-C1'-N19 115.645 7.445 . 0.046 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 112.199 3.999 . 0.809 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C5'-C4'-C3' 112.197 -2.202 . 0.022 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.687 1 O4'-C1'-N19 114.392 6.192 OUTLIER-EPSILON 0.191 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.229 4 O4'-C1'-N19 114.533 6.333 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.42 " H1'" ' HB3' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.828 1 O4'-C1'-N19 114.633 6.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.39 0 P-O3'-C3' 124.493 3.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.162 0 P-O3'-C3' 124.292 3.826 . 0.075 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.471 ' N2 ' ' HE ' ' B' ' 14' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O3'-P-O5' 98.86 -2.705 . 0.612 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 6 C5'-C4'-C3' 126.402 7.268 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.065 1 P-O3'-C3' 126.868 5.973 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.76 1 O4'-C1'-N19 112.707 4.507 . 0.079 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.44 0 O4'-C1'-N19 111.259 3.059 . 0.207 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C4'-C3'-C2' 99.33 -3.37 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 P-O3'-C3' 123.443 3.119 . 0.646 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.58 1 N19-C1'-C2' 106.014 -4.616 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.533 0 C5'-C4'-O4' 112.958 2.685 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 116.871 -1.537 . . . . 0.0 115.109 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.425 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 6.1 mmp_? -114.05 165.41 13.67 Favored Pre-proline 0 CA--C 1.563 1.467 1 C-N-CA 132.619 4.368 . . . . 0.0 115.37 19.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.425 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 3.2 Cg_exo -56.89 159.0 15.43 Favored 'Trans proline' 0 C--N 1.36 1.174 1 C-N-CA 127.496 5.464 . . . . 0.0 114.546 172.034 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 2.43 1.78 Allowed 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -165.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.12 -50.26 0.73 Allowed Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.09 2.281 . . . . 0.0 112.401 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.466 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -62.75 -16.4 57.57 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 118.404 1.102 . . . . 0.0 109.766 159.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.51 -50.29 67.98 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 117.617 -1.183 . . . . 0.0 108.985 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -55.45 -35.16 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.09 0.859 . . . . 0.0 112.349 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.549 HH22 ' H62' ' A' ' 73' ' ' ' A' . 1.0 OUTLIER -69.99 -22.2 63.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 169.63 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -86.15 -11.35 52.83 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.21 1.823 . . . . 0.0 113.743 167.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -52.98 9.76 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.467 1.03 . . . . 0.0 111.015 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.498 HH12 " H5'" ' A' ' 72' ' ' ' U' . 18.9 ptp180 -62.26 -34.61 76.87 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 123.167 0.587 . . . . 0.0 112.114 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.36 -2.94 47.59 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.008 1.723 . . . . 0.0 112.652 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.39 35.44 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.426 1.09 . . . . 0.0 110.632 163.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.19 -6.6 14.55 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.519 2.328 . . . . 0.0 113.58 -168.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 126.006 1.722 . . . . 0.0 110.174 173.336 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.923 0 C4'-C3'-C2' 99.161 -3.539 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.601 0 C3'-C2'-C1' 104.08 2.867 . 0.15 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 P-O3'-C3' 123.654 3.295 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.173 0 O4'-C1'-N19 112.069 3.869 . 0.222 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.466 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.72 2 N19-C1'-C2' 120.824 4.64 . 0.568 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 104.514 3.349 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 1 O4'-C1'-N19 114.824 6.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C4'-C3'-C2' 98.825 -3.875 . 0.328 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C3'-C2'-C1' 104.81 3.678 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 P-O3'-C3' 124.062 3.635 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 1 C5'-C4'-C3' 107.583 -5.278 . 0.798 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 1 O4'-C1'-N19 114.129 5.929 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 111.771 3.571 . 0.441 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 O4'-C1'-N19 112.184 3.984 . 0.253 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.411 1 O5'-C5'-C4' 117.506 5.219 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 O4'-C1'-N19 113.729 5.529 . 0.012 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.995 0 O5'-C5'-C4' 115.496 3.783 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.384 0 C5'-C4'-C3' 111.515 -2.657 . 0.181 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C5'-C4'-C3' 110.334 -3.444 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 O4'-C1'-N19 111.732 3.532 . 0.062 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.422 " H1'" ' HA ' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.753 1 O4'-C1'-N19 112.459 4.259 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.968 0 O4'-C1'-N19 111.954 3.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 99.101 -3.599 . 0.1 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.969 2 O4'-C1'-N19 112.484 4.284 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.498 " H5'" HH12 ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.409 -3.677 3 C5'-C4'-O4' 102.206 -4.996 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.549 ' H62' HH22 ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.607 1 P-O3'-C3' 128.042 6.951 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 113.045 4.845 . 0.229 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 O4'-C1'-N19 111.496 3.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.807 3 O5'-C5'-C4' 116.46 4.471 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.556 0 C5'-C4'-O4' 105.117 -2.916 . 0.116 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.155 3 O4'-C1'-N19 113.292 5.092 . 0.221 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.817 0 O4'-C1'-N19 111.698 3.498 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mmp_? -103.24 167.78 9.7 Favored Pre-proline 0 CA--C 1.551 0.983 1 C-N-CA 133.252 4.621 . . . . 0.0 114.819 10.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -36.84 138.11 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.814 1 C-N-CA 128.376 6.05 . . . . 0.0 115.424 162.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.36 -1.29 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 120.181 3.401 . . . . 0.0 120.181 -166.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.58 -45.35 0.5 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.75 1.643 . . . . 0.0 113.112 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.13 -20.7 10.8 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.438 2.119 . . . . 0.0 109.177 157.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -60.44 2.91 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.701 1.601 . . . . 0.0 107.777 171.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 60.3 mtp85 -56.52 -39.88 74.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.591 1.087 . . . . 0.0 112.034 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.439 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.5 OUTLIER -66.31 -30.16 70.52 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.072 1.349 . . . . 0.0 113.558 172.098 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -68.36 -34.17 75.59 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 121.761 2.073 . . . . 0.0 112.862 169.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -48.26 72.36 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.259 1.424 . . . . 0.0 110.28 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.528 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.49 -29.29 70.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.356 175.263 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.23 1.02 34.05 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.32 1.448 . . . . 0.0 113.1 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.25 -33.2 20.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.31 1.044 . . . . 0.0 110.416 159.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.497 ' HB1' ' C2 ' ' A' ' 68' ' ' ' A' . . . -103.46 -14.79 16.09 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -161.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 C-N-CA 124.916 1.287 . . . . 0.0 112.442 -174.7 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 1 O4'-C1'-N19 113.005 4.805 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 C5'-C4'-O4' 114.708 3.934 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 C4'-C3'-C2' 99.01 -3.69 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C1'-N19 112.076 3.876 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.044 2 O4'-C1'-N19 114.047 5.847 . 0.613 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.48 " O2'" " H5'" ' A' ' 47' ' ' ' G' . . . . . . . . 1 C2'--O2' 1.345 -5.248 1 P-O3'-C3' 125.048 4.457 . 0.085 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 0.48 " H5'" " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.822 1 P-O3'-C3' 125.065 4.471 . 0.414 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 4 O4'-C1'-N19 114.847 6.647 . 0.23 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.67 0 N19-C1'-C2' 119.74 3.962 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 1 P-O3'-C3' 124.948 4.373 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.314 2 O4'-C1'-N19 114.401 6.201 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 1 C5'-C4'-C3' 109.098 -4.268 . 0.664 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 1 O4'-C1'-N19 114.521 6.321 . 0.411 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.486 1 C5'-C4'-O4' 115.308 4.363 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.738 0 N19-C1'-C2' 118.863 3.415 . 0.577 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 1 O4'-C1'-N19 114.579 6.379 . 0.095 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . 0.439 ' C5 ' " H1'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.878 1 O4'-C1'-N19 112.736 4.536 . 0.647 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.439 " H1'" ' C5 ' ' A' ' 63' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C5'-C4'-C3' 110.317 -3.456 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 98.989 -3.711 . 0.547 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.102 1 P-O3'-C3' 126.704 5.837 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.52 " H1'" ' HB3' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.058 1 O4'-C1'-N19 113.712 5.512 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.455 " H2'" ' C8 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.28 1 C3'-C2'-C1' 106.386 5.429 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 0.455 ' C8 ' " H2'" ' A' ' 69' ' ' ' C' . . . . . . . . 1 P--O5' 1.636 4.272 1 P-O3'-C3' 125.265 4.638 . 0.099 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.041 0 C1'-O4'-C4' 107.511 -2.321 . 0.103 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 3 C5'-C4'-O4' 100.912 -5.92 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.439 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.411 -3.485 1 P-O3'-C3' 128.935 7.696 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 O4'-C1'-N19 111.78 3.58 . 0.394 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 2 C5'-C4'-C3' 106.371 -6.086 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 C4'-C3'-C2' 100.067 -2.633 . 0.564 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.562 0 P-O3'-C3' 124.268 3.807 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.927 2 N19-C1'-C2' 106.123 -4.548 . 0.163 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.525 0 C5'-C4'-C3' 112.298 -2.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -109.07 163.2 17.52 Favored Pre-proline 0 CA--C 1.558 1.26 1 C-N-CA 132.029 4.132 . . . . 0.0 114.656 16.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -43.15 129.52 5.97 Favored 'Trans proline' 0 C--N 1.359 1.082 1 C-N-CA 127.547 5.498 . . . . 0.0 113.071 168.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -89.32 65.34 7.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.995 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 27.43 -37.46 0.0 OUTLIER Glycine 0 N--CA 1.483 1.789 1 C-N-CA 136.221 6.629 . . . . 0.0 119.288 171.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.576 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -56.94 -34.13 67.71 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 127.259 2.224 . . . . 0.0 106.873 159.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.69 -57.34 13.45 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 126.728 2.011 . . . . 0.0 106.961 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -25.66 68.44 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.485 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.0 OUTLIER -66.65 -52.48 44.43 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.668 1.187 . . . . 0.0 111.117 160.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.6 -6.39 19.97 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.396 1.453 . . . . 0.0 114.057 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.9 -52.03 10.17 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.704 1.602 . . . . 0.0 111.801 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.473 ' HA ' " H1'" ' A' ' 68' ' ' ' A' . 1.6 ptp180 -61.46 -32.38 72.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.904 0.882 . . . . 0.0 109.702 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.09 -9.38 59.56 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.71 66.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.952 0.796 . . . . 0.0 109.508 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.23 -43.75 10.76 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 129.665 3.186 . . . . 0.0 114.336 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 C-N-CA 125.772 1.629 . . . . 0.0 111.824 -175.11 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 1 O4'-C1'-N19 113.745 5.545 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.694 0 P-O5'-C5' 125.088 2.618 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 O4'-C1'-N19 112.56 4.36 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.402 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.587 1 O4'-C1'-N19 112.913 4.713 . 0.539 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.576 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.41 -3.609 1 O4'-C1'-N19 113.413 5.213 . 0.603 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.357 -4.292 1 C3'-C2'-C1' 106.037 5.041 . 0.479 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 2 O4'-C1'-N19 114.574 6.374 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 2 O4'-C1'-N19 112.967 4.767 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.572 2 N19-C1'-C2' 121.389 4.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C5'-C4'-C3' 111.078 -2.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.909 0 C5'-C4'-C3' 109.89 -3.74 . 0.45 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 1 O4'-C1'-N19 113.161 4.961 . 0.582 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C3'-C2'-C1' 104.271 3.079 . 0.615 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.045 0 C4'-C3'-C2' 98.771 -3.929 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.072 1 O4'-C1'-N19 112.375 4.175 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . 0.434 " H1'" ' C2 ' ' A' ' 63' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 1 O4'-C1'-N19 114.274 6.074 . 0.181 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . 0.434 ' C2 ' " H1'" ' A' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 99.682 -3.018 . 0.597 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.374 0 C4'-C3'-C2' 99.664 -3.036 . 0.11 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 O4'-C1'-N19 111.9 3.7 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.564 1 N19-C1'-C2' 105.776 -4.765 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.473 " H1'" ' HA ' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.407 -3.827 0 N19-C1'-C2' 108.332 -3.167 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.702 2 P-O3'-C3' 125.378 4.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.897 0 C5'-C4'-O4' 113.314 2.938 . 0.046 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 2 C4'-C3'-C2' 98.286 -4.414 . 0.456 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.403 " H1'" ' H8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.407 -3.797 1 P-O3'-C3' 125.114 4.511 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.485 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 C5'--C4' 1.549 3.034 4 O5'-C5'-C4' 120.945 7.675 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.941 2 O4'-C1'-N19 113.15 4.95 . 0.172 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.988 1 P-O3'-C3' 124.888 4.324 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 110.853 -3.098 . 0.504 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.431 ' C5 ' ' C5 ' ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O5'-C5'-C4' 105.523 -3.341 . 0.103 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.431 ' C5 ' ' C5 ' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.354 2 N19-C1'-C2' 104.732 -5.418 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.113 0 O4'-C1'-N19 112.111 3.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 117.295 -1.336 . . . . 0.0 113.024 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -58.48 158.61 14.39 Favored Pre-proline 0 CA--C 1.557 1.239 1 C-N-CA 135.298 5.439 . . . . 0.0 117.018 -7.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -69.9 149.04 65.48 Favored 'Trans proline' 0 C--N 1.359 1.089 1 C-N-CA 126.266 4.644 . . . . 0.0 114.801 -174.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.434 ' O ' ' C8 ' ' A' ' 46' ' ' ' G' . 11.8 p -79.74 -8.41 59.23 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -169.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.62 -46.98 2.94 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 117.805 -1.553 . . . . 0.0 111.701 -167.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.2 -17.58 7.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 121.07 2.435 . . . . 0.0 110.381 162.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.453 ' N ' HH21 ' B' ' 16' ' ' ARG . 1.2 tp10 -64.72 -47.42 78.33 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.424 2.289 . . . . 0.0 110.306 173.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.441 ' CD ' ' H21' ' A' ' 71' ' ' ' G' . 63.5 mtp85 -59.21 -28.33 66.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.18 0.9 . . . . 0.0 111.988 174.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.491 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.3 OUTLIER -79.53 -15.11 58.29 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.666 175.676 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.453 HH21 ' N ' ' B' ' 13' ' ' GLU . 70.4 mtm180 -110.94 1.42 17.51 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 167.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -50.13 70.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.172 2.189 . . . . 0.0 110.871 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -67.13 -23.44 65.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.519 2.328 . . . . 0.0 112.996 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -5.64 58.21 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.813 2.445 . . . . 0.0 113.227 171.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.51 -28.71 15.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.776 1.231 . . . . 0.0 113.113 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.47 -45.0 8.35 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -160.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.026 -0.987 . . . . 0.0 112.755 171.63 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.866 3.666 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.071 0 C5'-C4'-O4' 112.442 2.316 . 0.512 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 1 O4'-C1'-N19 113.439 5.239 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.599 1 C5'-C4'-O4' 115.459 4.471 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.524 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.173 1 O4'-C1'-N19 115.15 6.95 . 0.459 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.524 ' C8 ' " H2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.254 1 O3'-P-O5' 96.263 -4.072 . 0.303 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.052 2 C3'-C2'-C1' 107.239 6.377 . 0.207 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.401 -2.468 3 C4'-C3'-C2' 96.983 -5.717 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.832 1 N19-C1'-C2' 123.038 6.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C5'-C4'-O4' 113.166 2.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.892 1 N19-C1'-C2' 120.344 4.34 . 0.059 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 1 O4'-C1'-N19 113.932 5.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.253 0 O4'-C1'-N19 111.921 3.721 . 0.674 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.862 0 O4'-C1'-N19 111.738 3.538 . 0.277 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.281 0 N19-C1'-C2' 119.275 3.672 . 0.062 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 112.319 4.119 . 0.169 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 P-O3'-C3' 123.755 3.379 . 0.695 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.248 1 N19-C1'-C2' 106.057 -4.59 . 0.024 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.918 0 O4'-C1'-N19 111.407 3.207 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 N19-C1'-C2' 106.199 -4.5 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 O4'-C1'-N19 114.442 6.242 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.341 0 O4'-C1'-N19 111.92 3.72 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.093 1 O5'-C5'-C4' 117.107 4.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.441 ' H21' ' CD ' ' B' ' 14' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.573 -2.127 . 0.439 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.465 5 C5'-C4'-O4' 98.015 -7.99 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.491 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.405 -3.981 2 P-O3'-C3' 126.913 6.011 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.146 2 O4'-C1'-N19 114.363 6.163 . 0.405 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 2 N19-C1'-C2' 105.293 -5.067 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.843 1 N19-C1'-C2' 106.407 -4.371 . 0.116 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 3 O4'-C1'-N19 113.783 5.583 . 0.401 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.194 1 N19-C1'-C2' 104.924 -5.297 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.982 0 O4'-C1'-N19 110.893 2.693 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 119.394 -0.336 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.476 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 4.2 mmp_? -115.1 162.53 23.69 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 131.531 3.933 . . . . 0.0 108.759 -22.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.476 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 2.5 Cg_endo -50.77 107.81 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.89 1 C-N-CA 125.63 4.22 . . . . 0.0 111.896 -177.09 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -72.6 30.72 0.06 Allowed 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 127.259 2.224 . . . . 0.0 116.582 -165.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.82 -48.0 0.09 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 128.602 3.001 . . . . 0.0 114.836 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.41 68.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.288 1.835 . . . . 0.0 109.859 161.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.88 -57.32 9.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.5 ' HE ' ' N2 ' ' A' ' 71' ' ' ' G' . 65.0 mtp85 -46.76 -33.38 4.32 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 174.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.458 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.6 OUTLIER -76.59 -37.76 55.94 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 165.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.476 ' HA ' ' HB3' ' B' ' 19' ' ' ALA . 67.4 mtm180 -64.03 -11.51 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 121.138 1.79 . . . . 0.0 112.853 172.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.09 -55.21 7.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.029 1.332 . . . . 0.0 111.163 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.511 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.92 -23.61 67.28 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' B' ' 16' ' ' ARG . . . -84.24 -10.53 57.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.152 1.781 . . . . 0.0 114.026 172.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.87 -30.61 17.78 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.043 1.337 . . . . 0.0 111.462 170.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.77 -19.59 13.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.647 1.979 . . . . 0.0 112.863 -165.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 C-N-CA 127.555 2.342 . . . . 0.0 109.843 167.419 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.013 0 O4'-C1'-N19 110.717 2.517 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.117 0 P-O3'-C3' 122.292 2.16 . 0.162 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 1 O4'-C1'-N19 113.63 5.43 . 0.447 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.406 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.594 0 C3'-C2'-C1' 104.207 3.008 . 0.373 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.406 " O4'" " H2'" ' A' ' 44' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.103 2 N19-C1'-C2' 122.591 5.744 . 0.434 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.412 " O2'" " H5'" ' A' ' 47' ' ' ' G' . . . . . . . . 1 C2'--O2' 1.361 -4.02 1 C3'-C2'-C1' 105.219 4.132 . 0.214 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 0.412 " H5'" " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.655 1 O4'-C1'-N19 113.346 5.146 . 0.142 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 1 O4'-C1'-N19 113.639 5.439 . 0.028 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 2 O4'-C1'-N19 117.865 9.665 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 1 O4'-C1'-N19 113.088 4.888 . 0.033 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.916 1 C5'-C4'-C3' 109.24 -4.173 . 0.583 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C5'-C4'-C3' 110.26 -3.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.701 0 O4'-C1'-N19 111.548 3.348 . 0.431 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.801 1 O4'-C1'-N19 112.459 4.259 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.965 0 N19-C1'-C2' 117.796 2.748 . 0.38 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 115.918 7.718 . 0.123 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 113.887 5.687 . 0.599 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C4'-C3'-C2' 99.321 -3.379 . 0.079 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 0 P-O3'-C3' 123.817 3.431 . 0.307 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 1 N19-C1'-C2' 106.367 -4.395 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 2 O4'-C1'-N19 113.783 5.583 . 0.01 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.854 1 P-O3'-C3' 125.914 5.179 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 2 C4'-C3'-C2' 98.258 -4.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.5 ' N2 ' ' HE ' ' B' ' 14' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.832 1 O4'-C1'-N19 112.485 4.285 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.431 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.599 2 O4'-C1'-N19 113.837 5.637 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.458 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.411 -3.462 2 O4'-C1'-N19 113.927 5.727 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.655 0 C5'-C4'-C3' 109.857 -3.762 . 0.034 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.445 0 P-O3'-C3' 124.036 3.614 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 N19-C1'-C2' 106.787 -4.133 . 0.546 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.326 0 C5'-C4'-C3' 109.887 -3.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.432 0 O4'-C1'-N19 111.944 3.744 . 0.504 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.476 0 C5'-C4'-O4' 113.914 3.367 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 CA--C 1.512 -0.483 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.532 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 6.4 mmp_? -139.95 165.05 33.57 Favored Pre-proline 0 CA--C 1.55 0.951 1 C-N-CA 131.987 4.115 . . . . 0.0 109.584 0.501 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.532 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 11.0 Cg_endo -53.09 136.76 62.06 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.614 3.543 . . . . 0.0 111.214 172.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.2 m -96.2 12.2 31.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -161.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -60.66 3.84 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -169.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.505 ' HB1' ' OP2' ' A' ' 45' ' ' ' U' . . . -52.81 -33.17 47.9 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.589 1.156 . . . . 0.0 111.416 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.78 -44.05 97.2 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.195 2.198 . . . . 0.0 109.523 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.499 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 1.7 mtm180 -53.63 -46.45 70.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.236 172.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.4 66.99 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.347 -1.311 . . . . 0.0 113.775 172.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.593 ' HA ' ' HB3' ' B' ' 19' ' ' ALA . 4.9 mtp180 -86.31 -12.18 50.15 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.551 1.523 . . . . 0.0 114.799 172.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.499 ' HG2' ' HA ' ' B' ' 14' ' ' ARG . 22.2 mmt180 -63.72 -57.58 9.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.83 1.252 . . . . 0.0 111.863 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -32.24 70.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.087 1.755 . . . . 0.0 111.262 172.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' B' ' 16' ' ' ARG . . . -78.09 -11.55 59.92 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.254 1.422 . . . . 0.0 112.235 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.39 -37.38 28.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 167.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.76 -20.86 18.53 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.36 1.864 . . . . 0.0 115.687 -159.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 C-N-CA 125.461 1.505 . . . . 0.0 108.977 168.732 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C5'-C4'-C3' 110.208 -3.528 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.03 0 C5'-C4'-O4' 114.215 3.582 . 0.025 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.268 0 P-O3'-C3' 123.6 3.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.901 1 O4'-C1'-N19 113.027 4.827 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.505 ' OP2' ' HB1' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.407 -3.834 2 N19-C1'-C2' 121.841 5.276 . 0.608 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.352 -4.695 1 C5'-C4'-O4' 102.614 -4.704 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.341 1 O4'-C1'-N19 115.478 7.278 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 2 O4'-C1'-N19 114.094 5.894 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 1 O4'-C1'-N19 112.647 4.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 98.832 -3.868 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 1 P-O3'-C3' 125.541 4.867 . 0.017 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 110.791 2.591 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 N19-C1'-C2' 119.395 3.747 . 0.805 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . 0.441 " H2'" ' C5 ' ' A' ' 62' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.754 0 C4'-C3'-C2' 99.15 -3.55 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.78 1 O4'-C1'-N19 112.835 4.635 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . 0.441 ' C5 ' " H2'" ' A' ' 60' ' ' ' U' . . . . . . . . 0 P--O5' 1.625 3.153 2 O4'-C1'-N19 113.998 5.798 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.033 2 O4'-C1'-N19 114.049 5.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.847 -2.853 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.902 1 O4'-C1'-N19 113.443 5.243 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.432 0 N19-C1'-C2' 107.162 -3.898 . 0.086 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 2 O4'-C1'-N19 114.928 6.728 . 0.034 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.824 1 O4'-C1'-N19 112.244 4.044 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C4'-C3'-C2' 99.257 -3.443 . 0.208 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.408 ' C4 ' " H1'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 N19-C1'-C2' 116.75 2.094 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.876 5 C5'-C4'-C3' 126.878 7.586 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.408 " H1'" ' C4 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.746 1 P-O3'-C3' 126.9 6.0 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 1 C5'-C4'-C3' 108.944 -4.37 . 0.496 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 1 C5'-C4'-C3' 107.586 -5.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 0 C3'-C2'-C1' 103.989 2.766 . 0.37 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 P-O3'-C3' 124.374 3.895 . 0.432 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.144 0 N19-C1'-C2' 107.974 -3.391 . 0.013 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.539 1 O4'-C1'-N19 112.771 4.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.257 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -74.6 149.01 85.9 Favored Pre-proline 0 CA--C 1.547 0.861 1 C-N-CA 132.37 4.268 . . . . 0.0 111.69 -3.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.476 ' HG3' HH22 ' B' ' 17' ' ' ARG . 60.1 Cg_endo -56.91 124.84 17.21 Favored 'Trans proline' 0 C--N 1.35 0.642 1 C-N-CA 126.953 5.102 . . . . 0.0 113.875 -166.053 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.0 m -64.5 15.95 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.114 3.005 . . . . 0.0 119.114 -165.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.49 -45.27 0.8 Allowed Glycine 0 CA--C 1.528 0.903 0 C-N-CA 127.122 2.296 . . . . 0.0 113.837 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.41 68.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.079 1.44 . . . . 0.0 108.026 164.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.77 -47.5 84.9 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 126.511 1.924 . . . . 0.0 111.047 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.416 ' HE ' ' N2 ' ' A' ' 71' ' ' ' G' . 47.4 mtp85 -65.51 -30.04 70.76 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.422 HH22 ' N2 ' ' A' ' 71' ' ' ' G' . 0.2 OUTLIER -70.72 -39.91 73.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.728 1.211 . . . . 0.0 113.86 163.324 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -61.18 -27.36 68.36 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.863 1.21 . . . . 0.0 113.241 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.476 HH22 ' HG3' ' B' ' 9' ' ' PRO . 59.5 mtt180 -63.34 -57.72 9.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.047 2.139 . . . . 0.0 114.136 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ARG . . . . . 0.452 ' HB3' " H1'" ' A' ' 68' ' ' ' A' . 0.0 OUTLIER -65.14 -25.68 67.85 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.295 1.038 . . . . 0.0 111.35 175.406 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 5.1 28.5 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 112.45 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.73 -29.2 20.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.9 1.28 . . . . 0.0 110.779 163.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.502 ' HB1' ' C2 ' ' A' ' 68' ' ' ' A' . . . -118.98 -48.13 2.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 117.225 2.305 . . . . 0.0 117.225 -153.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 124.71 1.204 . . . . 0.0 110.822 -176.495 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 111.424 3.224 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.283 0 P-O3'-C3' 122.737 2.531 . 0.42 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 1 C4'-C3'-C2' 98.136 -4.564 . 0.152 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.452 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.555 1 O4'-C1'-N19 113.75 5.55 . 0.427 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 0.489 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 O4'-C1'-N19 117.258 9.058 . 0.114 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.489 ' C8 ' " H2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C5'-C4'-C3' 110.694 -3.204 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.522 1 O4'-C1'-N19 113.605 5.405 . 0.636 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 2 C4'-C3'-C2' 97.377 -5.323 . 0.152 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 1 N19-C1'-C2' 119.877 4.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 N19-C1'-C2' 117.911 2.819 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.728 0 C3'-C2'-C1' 104.706 3.563 . 0.281 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 P-O3'-C3' 125.935 5.196 . 0.724 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 1 O4'-C1'-N19 112.402 4.202 . 0.305 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.351 0 O4'-C1'-N19 111.808 3.608 . 0.283 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.751 0 P-O3'-C3' 123.759 3.382 . 0.406 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 1 O4'-C1'-N19 113.424 5.224 . 0.245 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 C5'-C4'-C3' 109.899 -3.734 . 0.678 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C5'-C4'-O4' 114.544 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C5'-C4'-C3' 110.437 -3.375 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.412 " H2'" ' C6 ' ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.233 3 N19-C1'-C2' 101.935 -7.166 . 0.057 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . 0.502 ' C2 ' ' HB1' ' B' ' 21' ' ' ALA . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 99.003 -3.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.412 ' C6 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 P--O5' 1.627 3.39 1 O4'-C1'-N19 112.468 4.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.765 0 O4'-C1'-N19 111.18 2.98 . 0.115 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.422 ' N2 ' HH22 ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.916 1 C3'-C2'-C1' 97.252 -4.72 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.64 4 C5'-C4'-C3' 125.415 6.61 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.947 1 P-O3'-C3' 126.122 5.352 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 O4'-C1'-N19 110.862 2.662 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.47 1 O4'-C1'-N19 112.584 4.384 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 2 C5'-C4'-C3' 109.013 -4.325 . 0.072 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 1 O5'-C5'-C4' 102.202 -5.713 . 0.481 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 2 O4'-C1'-N19 112.28 4.08 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.647 0 C5'-C4'-C3' 110.495 -3.337 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo . . . . . 0 N--CA 1.455 -0.748 0 CA-C-O 122.74 1.058 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.64 21.07 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 130.573 3.549 . . . . 0.0 117.573 -158.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.45 -52.78 0.31 Allowed Glycine 0 CA--C 1.528 0.867 0 C-N-CA 126.688 2.089 . . . . 0.0 112.836 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.71 -38.28 64.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 118.663 1.231 . . . . 0.0 108.961 164.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.545 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 7.0 tt0 -69.58 -32.52 71.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 116.901 -1.523 . . . . 0.0 110.623 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.535 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 31.4 mtp85 -60.81 -48.02 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.224 1.375 . . . . 0.0 112.304 165.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -57.79 -30.42 65.66 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.741 1.155 . . . . 0.0 112.278 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.545 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 41.9 mtm180 -72.78 -20.96 61.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 172.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' B' ' 14' ' ' ARG . 18.0 mmt180 -63.04 -55.89 21.67 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.492 1.042 . . . . 0.0 112.342 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.415 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -68.39 -27.28 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 125.845 1.658 . . . . 0.0 112.003 174.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.54 -5.39 59.29 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.306 1.043 . . . . 0.0 113.269 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.52 58.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 165.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 C-N-CA 127.039 2.136 . . . . 0.0 116.25 -170.023 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 CA--C 1.54 0.818 0 N-CA-C 111.291 -0.311 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.7 m -60.08 17.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 131.112 3.765 . . . . 0.0 119.302 -170.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.49 -46.95 0.1 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 128.428 2.918 . . . . 0.0 112.561 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.75 -29.68 70.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.913 1.857 . . . . 0.0 110.81 164.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.697 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 0.4 OUTLIER -67.15 -45.56 76.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.018 1.327 . . . . 0.0 109.466 173.657 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 57.4 mtp85 -54.61 -29.96 53.37 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 169.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.92 -14.17 37.37 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 165.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.697 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 8.7 mtm-85 -68.35 -20.96 64.76 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 122.263 2.301 . . . . 0.0 111.719 166.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -72.79 -47.94 42.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.144 1.777 . . . . 0.0 113.841 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.05 78.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.958 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -14.54 62.52 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.642 1.977 . . . . 0.0 114.201 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.31 56.69 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.426 1.091 . . . . 0.0 110.764 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.177 0 C-N-CA 125.688 1.595 . . . . 0.0 111.561 -165.447 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 CA--C 1.528 0.183 0 CA-C-O 120.981 0.326 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -76.67 15.47 0.63 Allowed 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -156.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.1 -38.49 0.31 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 127.038 2.256 . . . . 0.0 113.729 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.17 91.28 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 120.791 2.295 . . . . 0.0 109.981 161.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.78 -38.25 83.13 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.34 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -54.09 -40.55 67.34 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.777 1.171 . . . . 0.0 113.206 171.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -23.53 60.13 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.809 2.044 . . . . 0.0 112.803 175.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -86.45 -16.28 37.62 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.902 1.228 . . . . 0.0 113.836 172.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.67 -61.26 2.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.52 1.528 . . . . 0.0 110.263 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -34.85 71.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 130.302 3.441 . . . . 0.0 111.569 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.92 -13.46 60.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.069 1.748 . . . . 0.0 111.455 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.01 -34.13 61.88 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.171 0.589 . . . . 0.0 111.055 169.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.892 0 C-N-CA 126.318 1.847 . . . . 0.0 110.876 -158.714 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo . . . . . 0 N--CA 1.463 -0.297 0 N-CA-C 109.584 -0.968 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.5 8.55 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.331 1 C-N-CA 133.076 4.55 . . . . 0.0 120.328 -167.177 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.58 -40.52 0.23 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 129.432 3.396 . . . . 0.0 114.194 -174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.29 -22.88 64.71 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.632 1.216 . . . . 0.0 112.214 162.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -34.88 76.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.778 2.031 . . . . 0.0 109.912 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -77.59 -36.39 51.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.827 1.651 . . . . 0.0 111.455 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -64.38 -30.46 71.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.8 -1.188 . . . . 0.0 113.727 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -69.93 -30.03 67.33 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.743 1.156 . . . . 0.0 113.146 170.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -52.2 66.77 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 128.495 2.718 . . . . 0.0 114.684 -177.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -28.39 64.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.552 1.141 . . . . 0.0 112.04 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.8 -8.81 59.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.46 1.904 . . . . 0.0 112.564 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.16 45.03 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.946 1.298 . . . . 0.0 108.94 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.802 0 C-N-CA 127.002 2.121 . . . . 0.0 113.855 -175.515 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo . . . . . 0 N--CA 1.474 0.369 0 CA-C-O 121.185 0.41 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -63.91 5.51 0.22 Allowed 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.464 3.135 . . . . 0.0 119.464 -153.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.12 -48.74 3.84 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-O 117.195 -1.892 . . . . 0.0 111.543 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.3 66.97 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.421 2.11 . . . . 0.0 109.826 164.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HD3' ' B' ' 17' ' ' ARG . 5.4 tp10 -66.08 -59.47 3.76 Favored 'General case' 0 N--CA 1.428 -1.571 0 N-CA-C 106.762 -1.569 . . . . 0.0 106.762 170.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -49.24 -41.71 38.36 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 119.741 1.155 . . . . 0.0 113.531 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -35.35 79.82 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 167.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -71.89 -28.71 63.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.131 1.373 . . . . 0.0 112.193 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -66.59 -36.63 83.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 109.772 -174.26 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.28 69.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 131.675 3.99 . . . . 0.0 111.655 172.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -7.96 52.07 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.742 2.017 . . . . 0.0 114.978 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.03 -34.05 33.13 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.127 0.876 . . . . 0.0 111.551 164.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -154.727 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo . . . . . 0 N--CA 1.477 0.511 0 CA-C-O 122.986 1.161 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -121.84 86.25 2.55 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 112.014 -2.357 . . . . 0.0 106.58 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 2.93 -36.16 0.0 OUTLIER Glycine 0 N--CA 1.481 1.663 1 C-N-CA 136.898 6.952 . . . . 0.0 119.161 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.47 50.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.907 2.083 . . . . 0.0 108.173 163.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.3 -46.1 90.24 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.864 1.266 . . . . 0.0 111.351 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -63.49 -38.17 90.1 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.128 0.422 . . . . 0.0 111.458 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -66.14 -34.42 78.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.549 -1.215 . . . . 0.0 113.298 171.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -76.13 -20.95 57.16 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 117.42 -1.276 . . . . 0.0 113.076 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' B' ' 20' ' ' ALA . 68.3 mtt180 -63.64 -56.59 14.6 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.141 1.776 . . . . 0.0 112.61 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -63.03 -25.84 68.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.963 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.38 36.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.758 2.023 . . . . 0.0 112.845 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 17' ' ' ARG . . . -75.03 -28.87 60.61 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.892 1.677 . . . . 0.0 110.873 173.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.662 0 C-N-CA 127.424 2.29 . . . . 0.0 116.835 -161.007 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.451 -1.014 0 N-CA-C 109.754 -0.902 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 14.33 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.535 1 C-N-CA 132.02 4.128 . . . . 0.0 118.126 -160.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.75 -50.48 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 127.475 2.464 . . . . 0.0 112.181 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.19 67.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 118.792 1.296 . . . . 0.0 110.871 166.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.54 -46.97 74.36 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -57.45 -24.03 53.25 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.636 1.574 . . . . 0.0 113.155 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -33.96 23.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 128.066 2.546 . . . . 0.0 115.153 164.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -65.85 -16.58 63.96 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 121.229 1.831 . . . . 0.0 112.956 165.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -38.5 67.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 127.684 2.394 . . . . 0.0 112.176 177.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -79.05 -34.48 43.77 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.672 171.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.44 66.8 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.57 -33.19 75.33 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.898 1.279 . . . . 0.0 111.551 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -151.225 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.473 0.29 0 N-CA-C 114.546 0.941 . . . . 0.0 114.546 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 2.43 1.78 Allowed 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -165.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.12 -50.26 0.73 Allowed Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.09 2.281 . . . . 0.0 112.401 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.75 -16.4 57.57 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 118.404 1.102 . . . . 0.0 109.766 159.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.51 -50.29 67.98 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 117.617 -1.183 . . . . 0.0 108.985 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -55.45 -35.16 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.09 0.859 . . . . 0.0 112.349 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -22.2 63.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 169.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -86.15 -11.35 52.83 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.21 1.823 . . . . 0.0 113.743 167.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -52.98 9.76 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.467 1.03 . . . . 0.0 111.015 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -62.26 -34.61 76.87 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 123.167 0.587 . . . . 0.0 112.114 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.36 -2.94 47.59 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.008 1.723 . . . . 0.0 112.652 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.39 35.44 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.426 1.09 . . . . 0.0 110.632 163.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 127.519 2.328 . . . . 0.0 113.58 -168.311 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 CA--C 1.521 -0.174 0 N-CA-C 115.424 1.279 . . . . 0.0 115.424 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.36 -1.29 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 120.181 3.401 . . . . 0.0 120.181 -166.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.58 -45.35 0.5 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.75 1.643 . . . . 0.0 113.112 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.13 -20.7 10.8 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.438 2.119 . . . . 0.0 109.177 157.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -60.44 2.91 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.701 1.601 . . . . 0.0 107.777 171.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 60.3 mtp85 -56.52 -39.88 74.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.591 1.087 . . . . 0.0 112.034 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -30.16 70.52 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.072 1.349 . . . . 0.0 113.558 172.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -68.36 -34.17 75.59 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 121.761 2.073 . . . . 0.0 112.862 169.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -48.26 72.36 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.259 1.424 . . . . 0.0 110.28 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.528 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.49 -29.29 70.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.356 175.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.23 1.02 34.05 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.32 1.448 . . . . 0.0 113.1 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.25 -33.2 20.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.31 1.044 . . . . 0.0 110.416 159.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -161.391 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo . . . . . 0 CA--C 1.516 -0.386 0 CA-C-O 121.984 0.743 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -89.32 65.34 7.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.995 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 27.43 -37.46 0.0 OUTLIER Glycine 0 N--CA 1.483 1.789 1 C-N-CA 136.221 6.629 . . . . 0.0 119.288 171.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.94 -34.13 67.71 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 127.259 2.224 . . . . 0.0 106.873 159.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.69 -57.34 13.45 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 126.728 2.011 . . . . 0.0 106.961 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -25.66 68.44 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -52.48 44.43 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.668 1.187 . . . . 0.0 111.117 160.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.6 -6.39 19.97 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.396 1.453 . . . . 0.0 114.057 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.9 -52.03 10.17 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.704 1.602 . . . . 0.0 111.801 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -61.46 -32.38 72.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.904 0.882 . . . . 0.0 109.702 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.09 -9.38 59.56 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.71 66.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.952 0.796 . . . . 0.0 109.508 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.728 0 C-N-CA 129.665 3.186 . . . . 0.0 114.336 175.792 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo . . . . . 0 CA--C 1.531 0.372 0 N-CA-C 114.801 1.039 . . . . 0.0 114.801 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -79.74 -8.41 59.23 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -169.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.62 -46.98 2.94 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 117.805 -1.553 . . . . 0.0 111.701 -167.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.2 -17.58 7.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 121.07 2.435 . . . . 0.0 110.381 162.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.453 ' N ' HH21 ' B' ' 16' ' ' ARG . 1.2 tp10 -64.72 -47.42 78.33 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.424 2.289 . . . . 0.0 110.306 173.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -59.21 -28.33 66.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.18 0.9 . . . . 0.0 111.988 174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -15.11 58.29 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.666 175.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.453 HH21 ' N ' ' B' ' 13' ' ' GLU . 70.4 mtm180 -110.94 1.42 17.51 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 167.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -50.13 70.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.172 2.189 . . . . 0.0 110.871 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -67.13 -23.44 65.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.519 2.328 . . . . 0.0 112.996 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -5.64 58.21 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.813 2.445 . . . . 0.0 113.227 171.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.51 -28.71 15.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.776 1.231 . . . . 0.0 113.113 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -160.725 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.462 -0.371 0 CA-C-O 121.319 0.466 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -72.6 30.72 0.06 Allowed 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 127.259 2.224 . . . . 0.0 116.582 -165.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.82 -48.0 0.09 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 128.602 3.001 . . . . 0.0 114.836 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.41 68.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.288 1.835 . . . . 0.0 109.859 161.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.88 -57.32 9.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -46.76 -33.38 4.32 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 174.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.59 -37.76 55.94 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 165.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.476 ' HA ' ' HB3' ' B' ' 19' ' ' ALA . 67.4 mtm180 -64.03 -11.51 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 121.138 1.79 . . . . 0.0 112.853 172.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.09 -55.21 7.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.029 1.332 . . . . 0.0 111.163 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . 0.511 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.92 -23.61 67.28 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' B' ' 16' ' ' ARG . . . -84.24 -10.53 57.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.152 1.781 . . . . 0.0 114.026 172.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.87 -30.61 17.78 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.043 1.337 . . . . 0.0 111.462 170.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.561 0 C-N-CA 126.647 1.979 . . . . 0.0 112.863 -165.34 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 N--CA 1.46 -0.469 0 CA-C-O 122.045 0.769 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.2 m -96.2 12.2 31.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -161.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -60.66 3.84 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -169.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.81 -33.17 47.9 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.589 1.156 . . . . 0.0 111.416 173.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.78 -44.05 97.2 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.195 2.198 . . . . 0.0 109.523 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.499 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 1.7 mtm180 -53.63 -46.45 70.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.236 172.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.4 66.99 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.347 -1.311 . . . . 0.0 113.775 172.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.593 ' HA ' ' HB3' ' B' ' 19' ' ' ALA . 4.9 mtp180 -86.31 -12.18 50.15 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.551 1.523 . . . . 0.0 114.799 172.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.499 ' HG2' ' HA ' ' B' ' 14' ' ' ARG . 22.2 mmt180 -63.72 -57.58 9.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.83 1.252 . . . . 0.0 111.863 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -32.24 70.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.087 1.755 . . . . 0.0 111.262 172.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' B' ' 16' ' ' ARG . . . -78.09 -11.55 59.92 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.254 1.422 . . . . 0.0 112.235 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.39 -37.38 28.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 167.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 C-N-CA 126.36 1.864 . . . . 0.0 115.687 -159.203 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.476 ' HG3' HH22 ' B' ' 17' ' ' ARG . 60.1 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 N-CA-C 113.875 0.683 . . . . 0.0 113.875 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.0 m -64.5 15.95 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.114 3.005 . . . . 0.0 119.114 -165.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.49 -45.27 0.8 Allowed Glycine 0 CA--C 1.528 0.903 0 C-N-CA 127.122 2.296 . . . . 0.0 113.837 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.41 68.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.079 1.44 . . . . 0.0 108.026 164.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.77 -47.5 84.9 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 126.511 1.924 . . . . 0.0 111.047 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 47.4 mtp85 -65.51 -30.04 70.76 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -39.91 73.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.728 1.211 . . . . 0.0 113.86 163.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -61.18 -27.36 68.36 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.863 1.21 . . . . 0.0 113.241 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.476 HH22 ' HG3' ' B' ' 9' ' ' PRO . 59.5 mtt180 -63.34 -57.72 9.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.047 2.139 . . . . 0.0 114.136 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -25.68 67.85 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.295 1.038 . . . . 0.0 111.35 175.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 5.1 28.5 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 112.45 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.73 -29.2 20.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.9 1.28 . . . . 0.0 110.779 163.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.655 0 N-CA-C 117.225 2.305 . . . . 0.0 117.225 -153.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.453 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 9.2 mmp_? -62.27 164.82 10.09 Favored Pre-proline 0 CA--C 1.539 0.544 1 C-N-CA 135.419 5.487 . . . . 0.0 117.088 1.632 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 9.5 Cg_endo -53.73 132.34 48.81 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 124.105 3.204 . . . . 0.0 110.983 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -67.64 21.07 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 130.573 3.549 . . . . 0.0 117.573 -158.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.45 -52.78 0.31 Allowed Glycine 0 CA--C 1.528 0.867 0 C-N-CA 126.688 2.089 . . . . 0.0 112.836 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.402 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -53.71 -38.28 64.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 118.663 1.231 . . . . 0.0 108.961 164.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.545 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 7.0 tt0 -69.58 -32.52 71.33 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-O 116.901 -1.523 . . . . 0.0 110.623 -177.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.535 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 31.4 mtp85 -60.81 -48.02 83.68 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.224 1.375 . . . . 0.0 112.304 165.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -57.79 -30.42 65.66 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.741 1.155 . . . . 0.0 112.278 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.545 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 41.9 mtm180 -72.78 -20.96 61.07 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 172.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' B' ' 14' ' ' ARG . 18.0 mmt180 -63.04 -55.89 21.67 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.492 1.042 . . . . 0.0 112.342 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.46 ' HA ' " H1'" ' A' ' 68' ' ' ' A' . 0.0 OUTLIER -68.39 -27.28 66.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 125.845 1.658 . . . . 0.0 112.003 174.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.54 -5.39 59.29 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.306 1.043 . . . . 0.0 113.269 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.52 58.59 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 165.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.14 -38.09 8.68 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.039 2.136 . . . . 0.0 116.25 -170.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 116.559 -1.686 . . . . 0.0 112.596 -172.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.35 0 C5'-C4'-C3' 111.404 -2.731 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C3'-C2'-C1' 103.978 2.753 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 2 C4'-C3'-C2' 97.528 -5.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 0 P-O3'-C3' 123.778 3.398 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.402 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.405 -3.993 2 N19-C1'-C2' 120.92 4.7 . 0.564 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.613 0 C3'-C2'-C1' 104.592 3.436 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.548 2.165 1 O4'-C1'-N19 116.469 8.269 . 0.081 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.77 0 C5'-C4'-C3' 110.327 -3.449 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 2 O4'-C1'-N19 118.588 10.388 . 0.277 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 O4'-C1'-N19 113.496 5.296 . 0.169 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 1 C5'-C4'-C3' 106.663 -5.892 . 0.747 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 1 C5'-C4'-C3' 107.899 -5.067 . 0.364 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.401 ' C4 ' ' C4 ' ' A' ' 60' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 O4'-C1'-N19 112.004 3.804 . 0.164 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . 0.401 ' C4 ' ' C4 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 O4'-C1'-N19 111.322 3.122 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.723 1 N19-C1'-C2' 120.4 4.375 . 0.18 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.517 1 O4'-C1'-N19 115.377 7.177 . 0.053 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 P-O3'-C3' 124.292 3.827 . 0.799 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.48 0 C4'-C3'-C2' 99.709 -2.991 . 0.077 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.325 1 C2'-C3'-O3' 122.442 4.086 OUTLIER-EPSILON 0.446 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 1 P-O3'-C3' 127.257 6.297 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.46 " H1'" ' HA ' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.422 -2.554 1 O4'-C1'-N19 114.37 6.17 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.891 0 O4'-C1'-N19 111.944 3.744 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.618 1 N19-C1'-C2' 106.898 -4.063 . 0.426 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C5'-C4'-C3' 111.299 -2.801 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.49 4 O4'-C1'-N19 112.671 4.471 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.635 1 P-O3'-C3' 128.205 7.088 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.027 1 O4'-C1'-N19 113.2 5.0 . 0.085 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.415 0 P-O3'-C3' 123.73 3.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C5'-C4'-C3' 111.742 -2.506 . 0.672 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.428 1 O5'-C5'-C4' 116.392 4.423 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.156 1 N19-C1'-C2' 105.644 -4.847 . 0.056 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.844 0 C5'-C4'-C3' 109.791 -3.806 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.44 ' HA ' ' CZ ' ' B' ' 8' ' ' ARG . 5.8 m . . . . . 0 N--CA 1.465 0.305 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.44 ' CZ ' ' HA ' ' B' ' 7' ' ' SER . 9.5 mmp_? -156.15 167.39 14.42 Favored Pre-proline 0 CA--C 1.559 1.294 1 C-N-CA 134.809 5.244 . . . . 0.0 109.957 9.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.91 121.96 9.43 Favored 'Trans proline' 0 CA--C 1.54 0.818 1 C-N-CA 126.269 4.646 . . . . 0.0 111.291 166.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.7 m -60.08 17.74 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 131.112 3.765 . . . . 0.0 119.302 -170.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.49 -46.95 0.1 Allowed Glycine 0 CA--C 1.538 1.471 0 C-N-CA 128.428 2.918 . . . . 0.0 112.561 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.464 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -63.75 -29.68 70.87 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 119.913 1.857 . . . . 0.0 110.81 164.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.697 ' HA ' ' HE ' ' B' ' 16' ' ' ARG . 0.4 OUTLIER -67.15 -45.56 76.68 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.018 1.327 . . . . 0.0 109.466 173.657 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.509 HH12 ' H41' ' A' ' 69' ' ' ' C' . 57.4 mtp85 -54.61 -29.96 53.37 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 169.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.411 HH22 ' N6 ' ' A' ' 73' ' ' ' A' . 0.6 OUTLIER -88.92 -14.17 37.37 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 118.597 2.814 . . . . 0.0 118.597 165.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.697 ' HE ' ' HA ' ' B' ' 13' ' ' GLU . 8.7 mtm-85 -68.35 -20.96 64.76 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 122.263 2.301 . . . . 0.0 111.719 166.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -72.79 -47.94 42.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.144 1.777 . . . . 0.0 113.841 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -35.05 78.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 120.259 -0.577 . . . . 0.0 110.958 172.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -14.54 62.52 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.642 1.977 . . . . 0.0 114.201 172.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.31 56.69 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.426 1.091 . . . . 0.0 110.764 171.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.92 -31.34 12.24 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 125.688 1.595 . . . . 0.0 111.561 -165.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.739 -1.124 . . . . 0.0 110.47 158.809 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.582 -2.118 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.193 0 C4'-C3'-C2' 99.984 -2.716 . 0.156 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 P-O3'-C3' 123.848 3.457 . 0.933 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.46 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.552 2 O4'-C1'-N19 112.723 4.523 . 0.553 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.464 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.718 3 N19-C1'-C2' 121.263 4.915 . 0.502 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C3'-C2'-C1' 103.986 2.762 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.384 0 P-O3'-C3' 122.967 2.723 . 0.751 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.432 " H2'" " O4'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 P--O5' 1.62 2.66 4 O4'-C1'-N19 116.218 8.018 . 0.202 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.432 " O4'" " H2'" ' A' ' 48' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.405 -4.024 0 N19-C1'-C2' 119.539 3.837 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.231 0 C5'-C4'-O4' 113.06 2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 O4'-C1'-N19 112.813 4.613 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 O4'-C1'-N19 111.01 2.81 . 0.021 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.058 2 O4'-C1'-N19 112.514 4.314 . 0.806 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.058 1 O4'-C1'-N19 114.553 6.353 . 0.106 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.551 0 P-O3'-C3' 123.392 3.077 . 0.406 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 O4'-C1'-N19 114.347 6.147 . 0.331 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 P-O3'-C3' 124.179 3.732 . 0.762 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.417 ' C5 ' ' C5 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 P--O5' 1.63 3.718 0 P-O3'-C3' 124.48 3.984 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.417 ' C5 ' ' C5 ' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.778 1 O4'-C1'-N19 113.482 5.282 . 0.386 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.791 0 N19-C1'-C2' 107.611 -3.618 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 5 O4'-C1'-N19 116.306 8.106 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.509 ' H41' HH12 ' B' ' 14' ' ' ARG . . . . . . . . 1 P--O5' 1.636 4.264 3 P-O3'-C3' 127.576 6.563 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 1 P-O3'-C3' 128.441 7.284 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.46 ' N2 ' ' HE ' ' B' ' 14' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 99.467 -2.258 . 0.298 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.735 6 C5'-C4'-O4' 99.287 -7.081 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.411 ' N6 ' HH22 ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.237 1 P-O3'-C3' 127.836 6.78 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O4'-C1'-N19 110.627 2.427 . 0.357 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C5'-C4'-C3' 110.723 -3.185 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 N19-C1'-C2' 107.687 -3.57 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.446 0 O5'-C5'-C4' 114.864 3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.462 0 O4'-C1'-N19 111.341 3.141 . 0.174 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.909 0 O5'-C5'-C4' 114.215 2.868 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -55.75 157.47 7.73 Favored Pre-proline 0 CA--C 1.551 1.0 1 C-N-CA 133.128 4.571 . . . . 0.0 112.379 -3.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -48.13 129.84 19.35 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 124.664 3.576 . . . . 0.0 112.589 -175.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m -76.67 15.47 0.63 Allowed 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 -156.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.1 -38.49 0.31 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 127.038 2.256 . . . . 0.0 113.729 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.17 91.28 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 120.791 2.295 . . . . 0.0 109.981 161.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.78 -38.25 83.13 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.34 -173.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -54.09 -40.55 67.34 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.777 1.171 . . . . 0.0 113.206 171.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.447 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.3 OUTLIER -73.44 -23.53 60.13 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.809 2.044 . . . . 0.0 112.803 175.479 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -86.45 -16.28 37.62 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.902 1.228 . . . . 0.0 113.836 172.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -59.67 -61.26 2.75 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.52 1.528 . . . . 0.0 110.263 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.59 -34.85 71.56 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 130.302 3.441 . . . . 0.0 111.569 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.92 -13.46 60.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.069 1.748 . . . . 0.0 111.455 -177.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.01 -34.13 61.88 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 123.171 0.589 . . . . 0.0 111.055 169.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.54 -78.22 0.56 Allowed 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 126.318 1.847 . . . . 0.0 110.876 -158.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.242 1.817 . . . . 0.0 108.814 171.552 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C5'-C4'-C3' 111.077 -2.949 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C3'-C2'-C1' 103.787 2.541 . 0.296 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 113.005 4.805 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.462 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.372 2 O4'-C1'-N19 112.675 4.475 . 0.476 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.462 " O4'" " H2'" ' A' ' 44' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.4 -4.448 2 O4'-C1'-N19 114.0 5.8 . 0.553 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.893 0 O3'-P-O5' 97.734 -3.298 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 1 O4'-C1'-N19 115.514 7.314 . 0.523 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.078 2 O4'-C1'-N19 114.83 6.63 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.432 " H2'" ' C8 ' ' A' ' 50' ' ' ' G' . . . . . . . . 0 P--O5' 1.632 3.911 1 O4'-C1'-N19 116.89 8.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.432 ' C8 ' " H2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.822 0 O4'-C1'-N19 111.415 3.215 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.325 2 C5'-C4'-C3' 108.76 -4.493 . 0.392 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.411 ' C6 ' ' C5 ' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 P-O3'-C3' 124.046 3.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . 0.411 ' C5 ' ' C6 ' ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 O4'-C1'-N19 111.742 3.542 . 0.902 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.676 1 O4'-C1'-N19 113.348 5.148 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.524 0 O5'-C5'-C4' 115.241 3.601 . 0.011 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 0 C3'-C2'-C1' 104.927 3.808 . 0.073 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C4'-C3'-C2' 98.65 -4.05 . 0.259 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.309 0 P-O3'-C3' 123.634 3.279 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 O4'-C1'-N19 111.184 2.984 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.78 1 N19-C1'-C2' 105.79 -4.756 . 0.533 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 C4'-C3'-C2' 98.816 -3.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 3 O4'-C1'-N19 118.202 10.002 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.775 0 C5'-C4'-O4' 113.829 3.306 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 0 C1'-O4'-C4' 107.045 -2.839 OUTLIER-EPSILON 0.434 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.866 3 C1'-O4'-C4' 105.103 -4.997 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.447 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 1 O4'--C4' 1.404 -4.095 1 P-O3'-C3' 127.105 6.171 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 0 O4'-C1'-N19 111.517 3.317 . 0.404 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 2 P-O3'-C3' 124.594 4.078 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 2 O4'-C1'-N19 112.897 4.697 . 0.702 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.762 0 P-O3'-C3' 122.679 2.483 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.505 1 C4'-C3'-C2' 98.556 -4.144 . 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.188 0 C5'-C4'-C3' 110.537 -3.309 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 117.502 -1.237 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -77.91 165.22 52.39 Favored Pre-proline 0 CA--C 1.547 0.85 1 C-N-CA 133.809 4.844 . . . . 0.0 114.111 1.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -63.08 120.16 7.51 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 124.315 3.343 . . . . 0.0 109.584 -175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.5 8.55 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.331 1 C-N-CA 133.076 4.55 . . . . 0.0 120.328 -167.177 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.58 -40.52 0.23 Allowed Glycine 0 CA--C 1.535 1.329 0 C-N-CA 129.432 3.396 . . . . 0.0 114.194 -174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.464 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -68.29 -22.88 64.71 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.632 1.216 . . . . 0.0 112.214 162.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -34.88 76.64 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.778 2.031 . . . . 0.0 109.912 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -77.59 -36.39 51.99 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 125.827 1.651 . . . . 0.0 111.455 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -64.38 -30.46 71.5 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.8 -1.188 . . . . 0.0 113.727 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -69.93 -30.03 67.33 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.743 1.156 . . . . 0.0 113.146 170.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -52.2 66.77 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 128.495 2.718 . . . . 0.0 114.684 -177.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.83 -28.39 64.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.552 1.141 . . . . 0.0 112.04 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.8 -8.81 59.13 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.46 1.904 . . . . 0.0 112.564 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.16 45.03 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.946 1.298 . . . . 0.0 108.94 171.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' C2 ' ' A' ' 68' ' ' ' A' . . . -90.43 -16.1 29.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 127.002 2.121 . . . . 0.0 113.855 -175.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 125.368 1.467 . . . . 0.0 112.092 -174.042 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 111.675 3.475 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.767 0 P-O3'-C3' 122.289 2.157 . 0.288 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.25 0 P-O5'-C5' 126.505 3.503 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.485 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.527 1 O4'-C1'-N19 112.923 4.723 . 0.684 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.485 " O4'" " H2'" ' A' ' 44' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.044 1 N19-C1'-C2' 123.242 6.151 . 0.264 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.681 0 O3'-P-O5' 99.093 -2.583 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.824 0 O4'-C1'-N19 110.593 2.393 . 0.572 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 1 O4'-C1'-N19 112.585 4.385 . 0.431 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 1 O4'-C1'-N19 113.858 5.658 . 0.499 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.33 0 C5'-C4'-C3' 110.964 -3.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C5'-C4'-C3' 110.365 -3.423 . 0.543 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 C5'-C4'-C3' 110.66 -3.226 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 112.561 4.361 . 0.636 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.372 0 C3'-C2'-C1' 103.804 2.56 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 P-O3'-C3' 124.02 3.6 . 0.434 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 1 O4'-C1'-N19 114.723 6.523 . 0.122 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 O4'-C1'-N19 111.644 3.444 . 0.776 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.842 0 C5'-C4'-C3' 111.038 -2.974 . 0.045 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 2 O4'-C1'-N19 112.446 4.246 OUTLIER-EPSILON 0.107 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 3 P-O3'-C3' 126.74 5.867 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.419 ' C2 ' ' HB1' ' B' ' 21' ' ' ALA . . . . . . . . 0 O4'--C4' 1.414 -3.261 1 O4'-C1'-N19 112.565 4.365 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.145 0 O4'-C1'-N19 111.886 3.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.107 0 C4'-C3'-C2' 98.841 -3.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 C1'-O4'-C4' 106.387 -3.57 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.47 4 C5'-C4'-C3' 124.752 6.168 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.198 3 P-O3'-C3' 128.276 7.147 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.803 0 O4'-C1'-N19 111.405 3.205 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.667 1 C5'-C4'-C3' 108.897 -4.402 . 0.628 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 P-O3'-C3' 123.37 3.058 . 0.13 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 P-O3'-C3' 122.382 2.235 . 0.397 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.486 1 N19-C1'-C2' 106.481 -4.324 . 0.611 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.699 0 O4'-C1'-N19 110.97 2.77 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -102.66 163.65 17.18 Favored Pre-proline 0 CA--C 1.552 1.033 1 C-N-CA 134.253 5.021 . . . . 0.0 115.275 17.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -52.16 136.59 54.16 Favored 'Trans proline' 0 C--N 1.358 1.032 1 C-N-CA 127.154 5.236 . . . . 0.0 112.464 176.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.6 m -63.91 5.51 0.22 Allowed 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.464 3.135 . . . . 0.0 119.464 -153.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 81.12 -48.74 3.84 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-O 117.195 -1.892 . . . . 0.0 111.543 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.575 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -60.15 -27.3 66.97 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.421 2.11 . . . . 0.0 109.826 164.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HD3' ' B' ' 17' ' ' ARG . 5.4 tp10 -66.08 -59.47 3.76 Favored 'General case' 0 N--CA 1.428 -1.571 0 N-CA-C 106.762 -1.569 . . . . 0.0 106.762 170.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -49.24 -41.71 38.36 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 119.741 1.155 . . . . 0.0 113.531 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.466 ' HD3' ' C5 ' ' A' ' 72' ' ' ' U' . 0.0 OUTLIER -62.94 -35.35 79.82 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 167.606 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -71.89 -28.71 63.69 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.131 1.373 . . . . 0.0 112.193 175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -66.59 -36.63 83.08 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.155 1.382 . . . . 0.0 109.772 -174.26 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.28 69.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 131.675 3.99 . . . . 0.0 111.655 172.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -7.96 52.07 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.742 2.017 . . . . 0.0 114.978 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.03 -34.05 33.13 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.127 0.876 . . . . 0.0 111.551 164.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.45 -31.24 7.59 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -154.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.338 -1.791 . . . . 0.0 113.214 -175.02 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.273 0 O4'-C1'-N19 111.517 3.317 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.4 0 C5'-C4'-O4' 113.599 3.142 . 0.418 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.486 1 O4'-C1'-N19 113.67 5.47 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 1 O4'-C1'-N19 112.899 4.699 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.575 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 1 O4'--C4' 1.402 -4.21 1 N19-C1'-C2' 122.417 5.636 . 0.69 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.4 ' C8 ' " H2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 P-O3'-C3' 123.03 2.775 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 P-O3'-C3' 123.211 2.926 . 0.513 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.886 1 O4'-C1'-N19 114.442 6.242 . 0.129 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.974 2 O4'-C1'-N19 114.455 6.255 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.699 0 P-O5'-C5' 125.495 2.872 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.85 0 C3'-C2'-C1' 104.368 3.187 . 0.146 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.278 1 P-O3'-C3' 126.166 5.388 . 0.051 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 112.026 3.826 . 0.312 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.77 1 O4'-C1'-N19 112.62 4.42 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.22 2 O5'-C5'-C4' 116.946 4.819 . 0.023 1o . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.235 1 O4'-C1'-N19 115.963 7.763 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 1 O4'-C1'-N19 113.184 4.984 . 0.596 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.227 1 C4'-C3'-C2' 98.564 -4.136 . 0.081 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.368 2 O4'-C1'-N19 112.821 4.621 . 0.206 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.67 2 N19-C1'-C2' 103.223 -6.361 . 0.043 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.522 0 C4'-C3'-C2' 99.145 -3.555 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 2 O4'-C1'-N19 114.46 6.26 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.133 0 P-O3'-C3' 124.454 3.962 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.228 0 O4'-C1'-N19 111.121 2.921 . 0.01 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.466 ' C5 ' ' HD3' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.042 7 O4'-C1'-N19 116.099 7.899 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.403 -4.202 2 P-O3'-C3' 127.739 6.699 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O4'-C1'-N19 111.086 2.886 . 0.721 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.468 0 P-O3'-C3' 122.694 2.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.417 0 P-O3'-C3' 124.376 3.897 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.435 0 O5'-C5'-C4' 115.668 3.906 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 1 O4'-C1'-N19 113.919 5.719 . 0.582 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.36 1 O4'-C1'-N19 112.852 4.652 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -87.44 157.52 52.86 Favored Pre-proline 0 CA--C 1.56 1.333 1 C-N-CA 134.589 5.156 . . . . 0.0 114.312 2.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -59.33 168.7 4.65 Favored 'Trans proline' 0 C--N 1.362 1.259 1 C-N-CA 126.956 5.104 . . . . 0.0 114.496 -177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m -121.84 86.25 2.55 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 112.014 -2.357 . . . . 0.0 106.58 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 2.93 -36.16 0.0 OUTLIER Glycine 0 N--CA 1.481 1.663 1 C-N-CA 136.898 6.952 . . . . 0.0 119.161 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.501 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -53.5 -32.47 50.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.907 2.083 . . . . 0.0 108.173 163.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -62.3 -46.1 90.24 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 124.864 1.266 . . . . 0.0 111.351 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -63.49 -38.17 90.1 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.128 0.422 . . . . 0.0 111.458 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.446 HH12 ' H21' ' A' ' 71' ' ' ' G' . 1.7 mpp_? -66.14 -34.42 78.01 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 117.549 -1.215 . . . . 0.0 113.298 171.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -76.13 -20.95 57.16 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-O 117.42 -1.276 . . . . 0.0 113.076 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.416 ' O ' ' HB3' ' B' ' 20' ' ' ALA . 68.3 mtt180 -63.64 -56.59 14.6 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 126.141 1.776 . . . . 0.0 112.61 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -63.03 -25.84 68.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.657 1.183 . . . . 0.0 111.963 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.75 -23.38 36.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.758 2.023 . . . . 0.0 112.845 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 17' ' ' ARG . . . -75.03 -28.87 60.61 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.892 1.677 . . . . 0.0 110.873 173.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.41 ' HB1' ' C2 ' ' A' ' 68' ' ' ' A' . . . -111.53 -15.41 13.51 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 127.424 2.29 . . . . 0.0 116.835 -161.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.512 ' HB2' ' H2 ' ' A' ' 68' ' ' ' A' . . . . . . . . 0 C--O 1.252 1.213 0 CA-C-N 119.842 1.201 . . . . 0.0 113.15 -166.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C5'-C4'-O4' 112.244 2.174 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.59 0 O5'-C5'-C4' 114.162 2.83 . 0.502 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 4 C5'-C4'-O4' 117.127 5.662 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.44 ' C4 ' ' C5 ' ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.807 2 C5'-C4'-C3' 105.968 -6.355 . 0.286 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.501 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.413 -3.335 1 O4'-C1'-N19 115.794 7.594 . 0.214 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C3'-C2'-C1' 104.603 3.447 OUTLIER-DELTA 0.029 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 112.14 3.94 . 0.015 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 3 O4'-C1'-N19 117.216 9.016 . 0.113 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O5'-C5'-C4' 115.513 3.795 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 P-O5'-C5' 125.458 2.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 O4'-C1'-N19 111.618 3.418 . 0.675 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 111.45 3.25 . 0.216 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.802 1 O4'-C1'-N19 112.553 4.353 . 0.786 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.143 0 C4'-C3'-C2' 99.358 -3.342 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.454 0 O5'-C5'-C4' 114.953 3.395 . 0.258 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.543 1 O4'-C1'-N19 114.245 6.045 . 0.092 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 P-O3'-C3' 123.874 3.479 . 0.564 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.271 0 C4'-C3'-C2' 99.501 -3.199 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 2 O4'-C1'-N19 114.837 6.637 OUTLIER-EPSILON 0.079 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 3 P-O3'-C3' 126.877 5.981 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.512 ' H2 ' ' HB2' ' B' ' 22' ' ' ALA . . . . . . . . 0 O4'--C4' 1.418 -2.899 3 C5'-C4'-C3' 124.304 5.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.953 0 O5'-C5'-C4' 115.447 3.748 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 P-O3'-C3' 124.343 3.869 . 0.088 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.446 ' H21' HH12 ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.823 0 O4'-C1'-C2' 101.848 -3.252 . 0.336 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.473 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.634 3 O4'-C1'-N19 115.954 7.754 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.473 ' C8 ' " H1'" ' A' ' 72' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.073 1 P-O3'-C3' 127.983 6.902 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.933 0 C4'-C3'-C2' 99.426 -3.274 . 0.366 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 P-O3'-C3' 123.39 3.075 . 0.48 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 1 C5'-C4'-C3' 108.989 -4.341 . 0.821 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 0 P-O3'-C3' 123.168 2.89 . 0.472 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 2 N19-C1'-C2' 106.403 -4.373 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.554 2 C5'-C4'-O4' 115.472 4.48 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.401 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 7.6 mmp_? -60.5 157.94 33.09 Favored Pre-proline 0 CA--C 1.539 0.537 1 C-N-CA 132.463 4.305 . . . . 0.0 113.23 -3.07 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 6.9 Cg_endo -47.1 128.37 13.94 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 124.325 3.35 . . . . 0.0 109.754 163.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 14.33 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.535 1 C-N-CA 132.02 4.128 . . . . 0.0 118.126 -160.18 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.75 -50.48 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 C-N-CA 127.475 2.464 . . . . 0.0 112.181 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.506 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -58.61 -30.19 67.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 118.792 1.296 . . . . 0.0 110.871 166.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.54 -46.97 74.36 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 174.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.471 ' HE ' ' N2 ' ' A' ' 71' ' ' ' G' . 37.5 mtp85 -57.45 -24.03 53.25 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.636 1.574 . . . . 0.0 113.155 177.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -33.96 23.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 128.066 2.546 . . . . 0.0 115.153 164.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -65.85 -16.58 63.96 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 121.229 1.831 . . . . 0.0 112.956 165.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -38.5 67.44 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 127.684 2.394 . . . . 0.0 112.176 177.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.42 ' HB3' " H1'" ' A' ' 68' ' ' ' A' 0.26 0.0 OUTLIER -79.05 -34.48 43.77 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.672 171.118 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -26.44 66.8 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.57 -33.19 75.33 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.898 1.279 . . . . 0.0 111.551 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.404 ' HB1' ' C6 ' ' A' ' 68' ' ' ' A' . . . -130.4 -10.17 4.12 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -151.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 116.217 -1.849 . . . . 0.0 111.271 169.329 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 116.214 8.014 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-O4' 114.004 3.432 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 O4'-C1'-N19 111.643 3.443 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.457 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C5'-C4'-O4' 114.122 3.515 . 0.398 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.506 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 1 O4'--C4' 1.399 -4.505 1 N19-C1'-C2' 121.744 5.215 . 0.115 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.454 " O2'" " H5'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.321 1 C3'-C2'-C1' 105.221 4.135 . 0.661 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 0.454 " H5'" " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.399 1 O4'-C1'-N19 113.505 5.305 . 0.634 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 1 O4'-C1'-N19 114.544 6.344 . 0.288 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.092 2.88 . 0.023 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 100.221 -2.479 . 0.258 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 1 O4'-C1'-N19 112.252 4.052 . 0.549 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C5'-C4'-C3' 109.814 -3.791 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 O4'-C1'-N19 111.628 3.428 . 0.756 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.865 0 C5'-C4'-O4' 113.75 3.25 . 0.414 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.88 0 N19-C1'-C2' 119.526 3.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.257 1 O4'-C1'-N19 115.645 7.445 . 0.046 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 112.199 3.999 . 0.809 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C5'-C4'-C3' 112.197 -2.202 . 0.022 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.687 1 O4'-C1'-N19 114.392 6.192 OUTLIER-EPSILON 0.191 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.229 4 O4'-C1'-N19 114.533 6.333 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.42 " H1'" ' HB3' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.828 1 O4'-C1'-N19 114.633 6.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.39 0 P-O3'-C3' 124.493 3.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.162 0 P-O3'-C3' 124.292 3.826 . 0.075 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.471 ' N2 ' ' HE ' ' B' ' 14' ' ' ARG . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O3'-P-O5' 98.86 -2.705 . 0.612 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 6 C5'-C4'-C3' 126.402 7.268 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.065 1 P-O3'-C3' 126.868 5.973 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.76 1 O4'-C1'-N19 112.707 4.507 . 0.079 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.44 0 O4'-C1'-N19 111.259 3.059 . 0.207 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C4'-C3'-C2' 99.33 -3.37 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.399 0 P-O3'-C3' 123.443 3.119 . 0.646 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.58 1 N19-C1'-C2' 106.014 -4.616 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.533 0 C5'-C4'-O4' 112.958 2.685 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 116.871 -1.537 . . . . 0.0 115.109 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.425 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 6.1 mmp_? -114.05 165.41 13.67 Favored Pre-proline 0 CA--C 1.563 1.467 1 C-N-CA 132.619 4.368 . . . . 0.0 115.37 19.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.425 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 3.2 Cg_exo -56.89 159.0 15.43 Favored 'Trans proline' 0 C--N 1.36 1.174 1 C-N-CA 127.496 5.464 . . . . 0.0 114.546 172.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.51 2.43 1.78 Allowed 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -165.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.12 -50.26 0.73 Allowed Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.09 2.281 . . . . 0.0 112.401 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.466 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -62.75 -16.4 57.57 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 118.404 1.102 . . . . 0.0 109.766 159.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.51 -50.29 67.98 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-O 117.617 -1.183 . . . . 0.0 108.985 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -55.45 -35.16 65.17 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.09 0.859 . . . . 0.0 112.349 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.549 HH22 ' H62' ' A' ' 73' ' ' ' A' . 1.0 OUTLIER -69.99 -22.2 63.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 169.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -86.15 -11.35 52.83 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 121.21 1.823 . . . . 0.0 113.743 167.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -52.98 9.76 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.467 1.03 . . . . 0.0 111.015 175.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.498 HH12 " H5'" ' A' ' 72' ' ' ' U' . 18.9 ptp180 -62.26 -34.61 76.87 Favored 'General case' 0 C--O 1.227 -0.087 0 C-N-CA 123.167 0.587 . . . . 0.0 112.114 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.36 -2.94 47.59 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.008 1.723 . . . . 0.0 112.652 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.73 -25.39 35.44 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.426 1.09 . . . . 0.0 110.632 163.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.19 -6.6 14.55 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.519 2.328 . . . . 0.0 113.58 -168.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 C-N-CA 126.006 1.722 . . . . 0.0 110.174 173.336 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.923 0 C4'-C3'-C2' 99.161 -3.539 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.601 0 C3'-C2'-C1' 104.08 2.867 . 0.15 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 P-O3'-C3' 123.654 3.295 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.173 0 O4'-C1'-N19 112.069 3.869 . 0.222 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.466 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.408 -3.72 2 N19-C1'-C2' 120.824 4.64 . 0.568 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C3'-C2'-C1' 104.514 3.349 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 1 O4'-C1'-N19 114.824 6.624 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C4'-C3'-C2' 98.825 -3.875 . 0.328 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C3'-C2'-C1' 104.81 3.678 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 P-O3'-C3' 124.062 3.635 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.925 1 C5'-C4'-C3' 107.583 -5.278 . 0.798 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 1 O4'-C1'-N19 114.129 5.929 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 O4'-C1'-N19 111.771 3.571 . 0.441 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 O4'-C1'-N19 112.184 3.984 . 0.253 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.411 1 O5'-C5'-C4' 117.506 5.219 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 O4'-C1'-N19 113.729 5.529 . 0.012 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.995 0 O5'-C5'-C4' 115.496 3.783 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.384 0 C5'-C4'-C3' 111.515 -2.657 . 0.181 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C5'-C4'-C3' 110.334 -3.444 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 O4'-C1'-N19 111.732 3.532 . 0.062 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.422 " H1'" ' HA ' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.753 1 O4'-C1'-N19 112.459 4.259 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.968 0 O4'-C1'-N19 111.954 3.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C4'-C3'-C2' 99.101 -3.599 . 0.1 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.969 2 O4'-C1'-N19 112.484 4.284 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.498 " H5'" HH12 ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.409 -3.677 3 C5'-C4'-O4' 102.206 -4.996 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.549 ' H62' HH22 ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.41 -3.607 1 P-O3'-C3' 128.042 6.951 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 113.045 4.845 . 0.229 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 O4'-C1'-N19 111.496 3.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.807 3 O5'-C5'-C4' 116.46 4.471 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.556 0 C5'-C4'-O4' 105.117 -2.916 . 0.116 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.155 3 O4'-C1'-N19 113.292 5.092 . 0.221 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.817 0 O4'-C1'-N19 111.698 3.498 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mmp_? -103.24 167.78 9.7 Favored Pre-proline 0 CA--C 1.551 0.983 1 C-N-CA 133.252 4.621 . . . . 0.0 114.819 10.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -36.84 138.11 0.23 Allowed 'Trans proline' 0 C--N 1.353 0.814 1 C-N-CA 128.376 6.05 . . . . 0.0 115.424 162.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -55.36 -1.29 0.03 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 120.181 3.401 . . . . 0.0 120.181 -166.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.58 -45.35 0.5 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.75 1.643 . . . . 0.0 113.112 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.13 -20.7 10.8 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.438 2.119 . . . . 0.0 109.177 157.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -60.44 2.91 Favored 'General case' 0 N--CA 1.424 -1.734 0 C-N-CA 125.701 1.601 . . . . 0.0 107.777 171.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 60.3 mtp85 -56.52 -39.88 74.09 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.591 1.087 . . . . 0.0 112.034 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.439 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.5 OUTLIER -66.31 -30.16 70.52 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 125.072 1.349 . . . . 0.0 113.558 172.098 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -68.36 -34.17 75.59 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 121.761 2.073 . . . . 0.0 112.862 169.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -48.26 72.36 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.259 1.424 . . . . 0.0 110.28 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.528 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.49 -29.29 70.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.356 175.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.23 1.02 34.05 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.32 1.448 . . . . 0.0 113.1 174.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.25 -33.2 20.77 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.31 1.044 . . . . 0.0 110.416 159.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.497 ' HB1' ' C2 ' ' A' ' 68' ' ' ' A' . . . -103.46 -14.79 16.09 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 -161.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 C-N-CA 124.916 1.287 . . . . 0.0 112.442 -174.7 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 1 O4'-C1'-N19 113.005 4.805 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 C5'-C4'-O4' 114.708 3.934 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 C4'-C3'-C2' 99.01 -3.69 . 0.288 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 O4'-C1'-N19 112.076 3.876 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.404 -4.044 2 O4'-C1'-N19 114.047 5.847 . 0.613 1c . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.48 " O2'" " H5'" ' A' ' 47' ' ' ' G' . . . . . . . . 1 C2'--O2' 1.345 -5.248 1 P-O3'-C3' 125.048 4.457 . 0.085 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 0.48 " H5'" " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.822 1 P-O3'-C3' 125.065 4.471 . 0.414 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 4 O4'-C1'-N19 114.847 6.647 . 0.23 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.67 0 N19-C1'-C2' 119.74 3.962 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 1 P-O3'-C3' 124.948 4.373 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.314 2 O4'-C1'-N19 114.401 6.201 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 1 C5'-C4'-C3' 109.098 -4.268 . 0.664 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 1 O4'-C1'-N19 114.521 6.321 . 0.411 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.486 1 C5'-C4'-O4' 115.308 4.363 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.738 0 N19-C1'-C2' 118.863 3.415 . 0.577 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 1 O4'-C1'-N19 114.579 6.379 . 0.095 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . 0.439 ' C5 ' " H1'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.878 1 O4'-C1'-N19 112.736 4.536 . 0.647 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.439 " H1'" ' C5 ' ' A' ' 63' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C5'-C4'-C3' 110.317 -3.456 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 98.989 -3.711 . 0.547 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.102 1 P-O3'-C3' 126.704 5.837 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.52 " H1'" ' HB3' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.416 -3.058 1 O4'-C1'-N19 113.712 5.512 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.455 " H2'" ' C8 ' ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.28 1 C3'-C2'-C1' 106.386 5.429 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 0.455 ' C8 ' " H2'" ' A' ' 69' ' ' ' C' . . . . . . . . 1 P--O5' 1.636 4.272 1 P-O3'-C3' 125.265 4.638 . 0.099 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.405 -4.041 0 C1'-O4'-C4' 107.511 -2.321 . 0.103 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 3 C5'-C4'-O4' 100.912 -5.92 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.439 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.411 -3.485 1 P-O3'-C3' 128.935 7.696 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 0 O4'-C1'-N19 111.78 3.58 . 0.394 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 2 C5'-C4'-C3' 106.371 -6.086 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.374 0 C4'-C3'-C2' 100.067 -2.633 . 0.564 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.562 0 P-O3'-C3' 124.268 3.807 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.927 2 N19-C1'-C2' 106.123 -4.548 . 0.163 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.525 0 C5'-C4'-C3' 112.298 -2.134 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -109.07 163.2 17.52 Favored Pre-proline 0 CA--C 1.558 1.26 1 C-N-CA 132.029 4.132 . . . . 0.0 114.656 16.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -43.15 129.52 5.97 Favored 'Trans proline' 0 C--N 1.359 1.082 1 C-N-CA 127.547 5.498 . . . . 0.0 113.071 168.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -89.32 65.34 7.17 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.995 -171.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 27.43 -37.46 0.0 OUTLIER Glycine 0 N--CA 1.483 1.789 1 C-N-CA 136.221 6.629 . . . . 0.0 119.288 171.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.576 ' HB2' ' C6 ' ' A' ' 45' ' ' ' U' . . . -56.94 -34.13 67.71 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 127.259 2.224 . . . . 0.0 106.873 159.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.69 -57.34 13.45 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 126.728 2.011 . . . . 0.0 106.961 170.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -25.66 68.44 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.485 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.0 OUTLIER -66.65 -52.48 44.43 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.668 1.187 . . . . 0.0 111.117 160.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -67.6 -6.39 19.97 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 120.396 1.453 . . . . 0.0 114.057 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -76.9 -52.03 10.17 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.704 1.602 . . . . 0.0 111.801 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.473 ' HA ' " H1'" ' A' ' 68' ' ' ' A' . 1.6 ptp180 -61.46 -32.38 72.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.904 0.882 . . . . 0.0 109.702 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.09 -9.38 59.56 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.14 -30.71 66.81 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 118.952 0.796 . . . . 0.0 109.508 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.23 -43.75 10.76 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 129.665 3.186 . . . . 0.0 114.336 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 C-N-CA 125.772 1.629 . . . . 0.0 111.824 -175.11 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 1 O4'-C1'-N19 113.745 5.545 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.694 0 P-O5'-C5' 125.088 2.618 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 1 O4'-C1'-N19 112.56 4.36 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.402 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.587 1 O4'-C1'-N19 112.913 4.713 . 0.539 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.576 ' C6 ' ' HB2' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.41 -3.609 1 O4'-C1'-N19 113.413 5.213 . 0.603 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.357 -4.292 1 C3'-C2'-C1' 106.037 5.041 . 0.479 1L . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 2 O4'-C1'-N19 114.574 6.374 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 2 O4'-C1'-N19 112.967 4.767 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.572 2 N19-C1'-C2' 121.389 4.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 0 C5'-C4'-C3' 111.078 -2.948 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.909 0 C5'-C4'-C3' 109.89 -3.74 . 0.45 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 1 O4'-C1'-N19 113.161 4.961 . 0.582 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C3'-C2'-C1' 104.271 3.079 . 0.615 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.045 0 C4'-C3'-C2' 98.771 -3.929 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.072 1 O4'-C1'-N19 112.375 4.175 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . 0.434 " H1'" ' C2 ' ' A' ' 63' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.554 1 O4'-C1'-N19 114.274 6.074 . 0.181 2[ . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . 0.434 ' C2 ' " H1'" ' A' ' 62' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 99.682 -3.018 . 0.597 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.374 0 C4'-C3'-C2' 99.664 -3.036 . 0.11 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 O4'-C1'-N19 111.9 3.7 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.564 1 N19-C1'-C2' 105.776 -4.765 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.473 " H1'" ' HA ' ' B' ' 18' ' ' ARG . . . . . . . . 0 O4'--C4' 1.407 -3.827 0 N19-C1'-C2' 108.332 -3.167 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.702 2 P-O3'-C3' 125.378 4.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.897 0 C5'-C4'-O4' 113.314 2.938 . 0.046 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 2 C4'-C3'-C2' 98.286 -4.414 . 0.456 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.403 " H1'" ' H8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.407 -3.797 1 P-O3'-C3' 125.114 4.511 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.485 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 C5'--C4' 1.549 3.034 4 O5'-C5'-C4' 120.945 7.675 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.941 2 O4'-C1'-N19 113.15 4.95 . 0.172 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.988 1 P-O3'-C3' 124.888 4.324 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 C5'-C4'-C3' 110.853 -3.098 . 0.504 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.431 ' C5 ' ' C5 ' ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O5'-C5'-C4' 105.523 -3.341 . 0.103 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.431 ' C5 ' ' C5 ' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.354 2 N19-C1'-C2' 104.732 -5.418 . 0.119 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.113 0 O4'-C1'-N19 112.111 3.911 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 117.295 -1.336 . . . . 0.0 113.024 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -58.48 158.61 14.39 Favored Pre-proline 0 CA--C 1.557 1.239 1 C-N-CA 135.298 5.439 . . . . 0.0 117.018 -7.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -69.9 149.04 65.48 Favored 'Trans proline' 0 C--N 1.359 1.089 1 C-N-CA 126.266 4.644 . . . . 0.0 114.801 -174.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.434 ' O ' ' C8 ' ' A' ' 46' ' ' ' G' . 11.8 p -79.74 -8.41 59.23 Favored 'General case' 0 C--O 1.215 -0.72 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -169.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.62 -46.98 2.94 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-O 117.805 -1.553 . . . . 0.0 111.701 -167.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.2 -17.58 7.82 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 121.07 2.435 . . . . 0.0 110.381 162.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.453 ' N ' HH21 ' B' ' 16' ' ' ARG . 1.2 tp10 -64.72 -47.42 78.33 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.424 2.289 . . . . 0.0 110.306 173.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.441 ' CD ' ' H21' ' A' ' 71' ' ' ' G' . 63.5 mtp85 -59.21 -28.33 66.56 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.18 0.9 . . . . 0.0 111.988 174.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.491 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.3 OUTLIER -79.53 -15.11 58.29 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 116.992 -1.48 . . . . 0.0 112.666 175.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.453 HH21 ' N ' ' B' ' 13' ' ' GLU . 70.4 mtm180 -110.94 1.42 17.51 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 116.007 1.855 . . . . 0.0 116.007 167.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -50.13 70.12 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 127.172 2.189 . . . . 0.0 110.871 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -67.13 -23.44 65.81 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.519 2.328 . . . . 0.0 112.996 176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -5.64 58.21 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.813 2.445 . . . . 0.0 113.227 171.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.51 -28.71 15.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.776 1.231 . . . . 0.0 113.113 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.47 -45.0 8.35 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -160.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.026 -0.987 . . . . 0.0 112.755 171.63 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 O4'-C1'-N19 111.866 3.666 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.071 0 C5'-C4'-O4' 112.442 2.316 . 0.512 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 1 O4'-C1'-N19 113.439 5.239 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.599 1 C5'-C4'-O4' 115.459 4.471 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.524 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.403 -4.173 1 O4'-C1'-N19 115.15 6.95 . 0.459 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.524 ' C8 ' " H2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.254 1 O3'-P-O5' 96.263 -4.072 . 0.303 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.052 2 C3'-C2'-C1' 107.239 6.377 . 0.207 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.401 -2.468 3 C4'-C3'-C2' 96.983 -5.717 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.832 1 N19-C1'-C2' 123.038 6.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 0 C5'-C4'-O4' 113.166 2.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.892 1 N19-C1'-C2' 120.344 4.34 . 0.059 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 1 O4'-C1'-N19 113.932 5.732 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.253 0 O4'-C1'-N19 111.921 3.721 . 0.674 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.862 0 O4'-C1'-N19 111.738 3.538 . 0.277 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.281 0 N19-C1'-C2' 119.275 3.672 . 0.062 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 112.319 4.119 . 0.169 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 P-O3'-C3' 123.755 3.379 . 0.695 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.248 1 N19-C1'-C2' 106.057 -4.59 . 0.024 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.918 0 O4'-C1'-N19 111.407 3.207 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 N19-C1'-C2' 106.199 -4.5 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 O4'-C1'-N19 114.442 6.242 . 0.0 OUTLIER '7D dist 3g wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.341 0 O4'-C1'-N19 111.92 3.72 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.093 1 O5'-C5'-C4' 117.107 4.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.441 ' H21' ' CD ' ' B' ' 14' ' ' ARG . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C4'-C3'-C2' 100.573 -2.127 . 0.439 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.465 5 C5'-C4'-O4' 98.015 -7.99 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.491 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.405 -3.981 2 P-O3'-C3' 126.913 6.011 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.146 2 O4'-C1'-N19 114.363 6.163 . 0.405 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 2 N19-C1'-C2' 105.293 -5.067 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.843 1 N19-C1'-C2' 106.407 -4.371 . 0.116 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.483 3 O4'-C1'-N19 113.783 5.583 . 0.401 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.194 1 N19-C1'-C2' 104.924 -5.297 . 0.168 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.982 0 O4'-C1'-N19 110.893 2.693 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.472 0.634 0 CA-C-O 119.394 -0.336 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.476 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 4.2 mmp_? -115.1 162.53 23.69 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 131.531 3.933 . . . . 0.0 108.759 -22.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.476 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 2.5 Cg_endo -50.77 107.81 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.89 1 C-N-CA 125.63 4.22 . . . . 0.0 111.896 -177.09 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -72.6 30.72 0.06 Allowed 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 127.259 2.224 . . . . 0.0 116.582 -165.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.82 -48.0 0.09 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 128.602 3.001 . . . . 0.0 114.836 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.41 68.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.288 1.835 . . . . 0.0 109.859 161.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.88 -57.32 9.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.5 ' HE ' ' N2 ' ' A' ' 71' ' ' ' G' . 65.0 mtp85 -46.76 -33.38 4.32 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 174.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.458 ' NH2' ' H62' ' A' ' 73' ' ' ' A' . 0.6 OUTLIER -76.59 -37.76 55.94 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 165.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.476 ' HA ' ' HB3' ' B' ' 19' ' ' ALA . 67.4 mtm180 -64.03 -11.51 29.82 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 121.138 1.79 . . . . 0.0 112.853 172.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.09 -55.21 7.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.029 1.332 . . . . 0.0 111.163 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.511 ' HE ' ' C ' ' B' ' 18' ' ' ARG . 0.0 OUTLIER -64.92 -23.61 67.28 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 177.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' B' ' 16' ' ' ARG . . . -84.24 -10.53 57.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.152 1.781 . . . . 0.0 114.026 172.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.87 -30.61 17.78 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.043 1.337 . . . . 0.0 111.462 170.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.77 -19.59 13.36 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 126.647 1.979 . . . . 0.0 112.863 -165.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 C-N-CA 127.555 2.342 . . . . 0.0 109.843 167.419 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.013 0 O4'-C1'-N19 110.717 2.517 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.117 0 P-O3'-C3' 122.292 2.16 . 0.162 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 1 O4'-C1'-N19 113.63 5.43 . 0.447 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.406 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 P--O5' 1.619 2.594 0 C3'-C2'-C1' 104.207 3.008 . 0.373 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.406 " O4'" " H2'" ' A' ' 44' ' ' ' C' . . . . . . . . 1 O4'--C4' 1.404 -4.103 2 N19-C1'-C2' 122.591 5.744 . 0.434 1c . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.412 " O2'" " H5'" ' A' ' 47' ' ' ' G' . . . . . . . . 1 C2'--O2' 1.361 -4.02 1 C3'-C2'-C1' 105.219 4.132 . 0.214 1a . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 0.412 " H5'" " O2'" ' A' ' 46' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.545 2.655 1 O4'-C1'-N19 113.346 5.146 . 0.142 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 1 O4'-C1'-N19 113.639 5.439 . 0.028 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 2 O4'-C1'-N19 117.865 9.665 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 1 O4'-C1'-N19 113.088 4.888 . 0.033 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.916 1 C5'-C4'-C3' 109.24 -4.173 . 0.583 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C5'-C4'-C3' 110.26 -3.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.701 0 O4'-C1'-N19 111.548 3.348 . 0.431 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.801 1 O4'-C1'-N19 112.459 4.259 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.965 0 N19-C1'-C2' 117.796 2.748 . 0.38 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 115.918 7.718 . 0.123 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 113.887 5.687 . 0.599 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C4'-C3'-C2' 99.321 -3.379 . 0.079 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.423 0 P-O3'-C3' 123.817 3.431 . 0.307 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.511 1 N19-C1'-C2' 106.367 -4.395 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 2 O4'-C1'-N19 113.783 5.583 . 0.01 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.854 1 P-O3'-C3' 125.914 5.179 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 2 C4'-C3'-C2' 98.258 -4.442 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.5 ' N2 ' ' HE ' ' B' ' 14' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.832 1 O4'-C1'-N19 112.485 4.285 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.431 " H1'" ' C8 ' ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.599 2 O4'-C1'-N19 113.837 5.637 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.458 ' H62' ' NH2' ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.411 -3.462 2 O4'-C1'-N19 113.927 5.727 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.655 0 C5'-C4'-C3' 109.857 -3.762 . 0.034 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.445 0 P-O3'-C3' 124.036 3.614 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.506 1 N19-C1'-C2' 106.787 -4.133 . 0.546 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.326 0 C5'-C4'-C3' 109.887 -3.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.432 0 O4'-C1'-N19 111.944 3.744 . 0.504 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.476 0 C5'-C4'-O4' 113.914 3.367 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 CA--C 1.512 -0.483 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.532 ' HD3' ' HD2' ' B' ' 9' ' ' PRO . 6.4 mmp_? -139.95 165.05 33.57 Favored Pre-proline 0 CA--C 1.55 0.951 1 C-N-CA 131.987 4.115 . . . . 0.0 109.584 0.501 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.532 ' HD2' ' HD3' ' B' ' 8' ' ' ARG . 11.0 Cg_endo -53.09 136.76 62.06 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 124.614 3.543 . . . . 0.0 111.214 172.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.2 m -96.2 12.2 31.72 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -161.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.06 -60.66 3.84 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.804 -1.319 . . . . 0.0 109.804 -169.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.505 ' HB1' ' OP2' ' A' ' 45' ' ' ' U' . . . -52.81 -33.17 47.9 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.589 1.156 . . . . 0.0 111.416 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.78 -44.05 97.2 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.195 2.198 . . . . 0.0 109.523 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.499 ' HA ' ' HG2' ' B' ' 17' ' ' ARG . 1.7 mtm180 -53.63 -46.45 70.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.58 0.752 . . . . 0.0 112.236 172.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.4 66.99 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.347 -1.311 . . . . 0.0 113.775 172.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.593 ' HA ' ' HB3' ' B' ' 19' ' ' ALA . 4.9 mtp180 -86.31 -12.18 50.15 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.551 1.523 . . . . 0.0 114.799 172.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.499 ' HG2' ' HA ' ' B' ' 14' ' ' ARG . 22.2 mmt180 -63.72 -57.58 9.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.83 1.252 . . . . 0.0 111.863 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -32.24 70.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.087 1.755 . . . . 0.0 111.262 172.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' B' ' 16' ' ' ARG . . . -78.09 -11.55 59.92 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.254 1.422 . . . . 0.0 112.235 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.39 -37.38 28.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.499 0.72 . . . . 0.0 109.684 167.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.76 -20.86 18.53 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.36 1.864 . . . . 0.0 115.687 -159.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 C-N-CA 125.461 1.505 . . . . 0.0 108.977 168.732 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C5'-C4'-C3' 110.208 -3.528 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.03 0 C5'-C4'-O4' 114.215 3.582 . 0.025 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.268 0 P-O3'-C3' 123.6 3.25 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.901 1 O4'-C1'-N19 113.027 4.827 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.505 ' OP2' ' HB1' ' B' ' 12' ' ' ALA . . . . . . . . 0 O4'--C4' 1.407 -3.834 2 N19-C1'-C2' 121.841 5.276 . 0.608 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C2'--O2' 1.352 -4.695 1 C5'-C4'-O4' 102.614 -4.704 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.341 1 O4'-C1'-N19 115.478 7.278 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 2 O4'-C1'-N19 114.094 5.894 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 1 O4'-C1'-N19 112.647 4.447 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 98.832 -3.868 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 1 P-O3'-C3' 125.541 4.867 . 0.017 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 110.791 2.591 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 N19-C1'-C2' 119.395 3.747 . 0.805 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . 0.441 " H2'" ' C5 ' ' A' ' 62' ' ' ' C' . . . . . . . . 0 P--O5' 1.621 2.754 0 C4'-C3'-C2' 99.15 -3.55 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.78 1 O4'-C1'-N19 112.835 4.635 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . 0.441 ' C5 ' " H2'" ' A' ' 60' ' ' ' U' . . . . . . . . 0 P--O5' 1.625 3.153 2 O4'-C1'-N19 113.998 5.798 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.033 2 O4'-C1'-N19 114.049 5.849 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 99.847 -2.853 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.401 ' C5 ' ' C5 ' ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.902 1 O4'-C1'-N19 113.443 5.243 . 0.709 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.432 0 N19-C1'-C2' 107.162 -3.898 . 0.086 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 2 O4'-C1'-N19 114.928 6.728 . 0.034 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.824 1 O4'-C1'-N19 112.244 4.044 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 C4'-C3'-C2' 99.257 -3.443 . 0.208 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.408 ' C4 ' " H1'" ' A' ' 73' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 N19-C1'-C2' 116.75 2.094 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.876 5 C5'-C4'-C3' 126.878 7.586 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.408 " H1'" ' C4 ' ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.408 -3.746 1 P-O3'-C3' 126.9 6.0 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 1 C5'-C4'-C3' 108.944 -4.37 . 0.496 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.794 1 C5'-C4'-C3' 107.586 -5.276 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 0 C3'-C2'-C1' 103.989 2.766 . 0.37 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 P-O3'-C3' 124.374 3.895 . 0.432 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.144 0 N19-C1'-C2' 107.974 -3.391 . 0.013 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.539 1 O4'-C1'-N19 112.771 4.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.257 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -74.6 149.01 85.9 Favored Pre-proline 0 CA--C 1.547 0.861 1 C-N-CA 132.37 4.268 . . . . 0.0 111.69 -3.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.476 ' HG3' HH22 ' B' ' 17' ' ' ARG . 60.1 Cg_endo -56.91 124.84 17.21 Favored 'Trans proline' 0 C--N 1.35 0.642 1 C-N-CA 126.953 5.102 . . . . 0.0 113.875 -166.053 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.0 m -64.5 15.95 0.02 OUTLIER 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 119.114 3.005 . . . . 0.0 119.114 -165.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 71.49 -45.27 0.8 Allowed Glycine 0 CA--C 1.528 0.903 0 C-N-CA 127.122 2.296 . . . . 0.0 113.837 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.41 68.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.079 1.44 . . . . 0.0 108.026 164.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.77 -47.5 84.9 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 126.511 1.924 . . . . 0.0 111.047 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.416 ' HE ' ' N2 ' ' A' ' 71' ' ' ' G' . 47.4 mtp85 -65.51 -30.04 70.76 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.422 HH22 ' N2 ' ' A' ' 71' ' ' ' G' . 0.2 OUTLIER -70.72 -39.91 73.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.728 1.211 . . . . 0.0 113.86 163.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -61.18 -27.36 68.36 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 119.863 1.21 . . . . 0.0 113.241 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.476 HH22 ' HG3' ' B' ' 9' ' ' PRO . 59.5 mtt180 -63.34 -57.72 9.45 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.047 2.139 . . . . 0.0 114.136 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . 0.452 ' HB3' " H1'" ' A' ' 68' ' ' ' A' . 0.0 OUTLIER -65.14 -25.68 67.85 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.295 1.038 . . . . 0.0 111.35 175.406 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.4 5.1 28.5 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.607 1.163 . . . . 0.0 112.45 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.73 -29.2 20.01 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.9 1.28 . . . . 0.0 110.779 163.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.502 ' HB1' ' C2 ' ' A' ' 68' ' ' ' A' . . . -118.98 -48.13 2.47 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 117.225 2.305 . . . . 0.0 117.225 -153.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.205 0 C-N-CA 124.71 1.204 . . . . 0.0 110.822 -176.495 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 O4'-C1'-N19 111.424 3.224 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.283 0 P-O3'-C3' 122.737 2.531 . 0.42 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 1 C4'-C3'-C2' 98.136 -4.564 . 0.152 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.452 " H2'" " O4'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.555 1 O4'-C1'-N19 113.75 5.55 . 0.427 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 0.489 " H2'" ' C8 ' ' A' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 O4'-C1'-N19 117.258 9.058 . 0.114 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.489 ' C8 ' " H2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 C5'-C4'-C3' 110.694 -3.204 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.522 1 O4'-C1'-N19 113.605 5.405 . 0.636 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 2 C4'-C3'-C2' 97.377 -5.323 . 0.152 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 1 N19-C1'-C2' 119.877 4.048 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 N19-C1'-C2' 117.911 2.819 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.728 0 C3'-C2'-C1' 104.706 3.563 . 0.281 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 P-O3'-C3' 125.935 5.196 . 0.724 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 1 O4'-C1'-N19 112.402 4.202 . 0.305 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.351 0 O4'-C1'-N19 111.808 3.608 . 0.283 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.751 0 P-O3'-C3' 123.759 3.382 . 0.406 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 1 O4'-C1'-N19 113.424 5.224 . 0.245 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 C5'-C4'-C3' 109.899 -3.734 . 0.678 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C5'-C4'-O4' 114.544 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C5'-C4'-C3' 110.437 -3.375 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.412 " H2'" ' C6 ' ' A' ' 69' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.233 3 N19-C1'-C2' 101.935 -7.166 . 0.057 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . 0.502 ' C2 ' ' HB1' ' B' ' 21' ' ' ALA . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 99.003 -3.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.412 ' C6 ' " H2'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 P--O5' 1.627 3.39 1 O4'-C1'-N19 112.468 4.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.765 0 O4'-C1'-N19 111.18 2.98 . 0.115 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.422 ' N2 ' HH22 ' B' ' 15' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.916 1 C3'-C2'-C1' 97.252 -4.72 . 0.0 OUTLIER '7D dist 1o' 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.64 4 C5'-C4'-C3' 125.415 6.61 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.947 1 P-O3'-C3' 126.122 5.352 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 O4'-C1'-N19 110.862 2.662 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.47 1 O4'-C1'-N19 112.584 4.384 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 2 C5'-C4'-C3' 109.013 -4.325 . 0.072 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 1 O5'-C5'-C4' 102.202 -5.713 . 0.481 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 2 O4'-C1'-N19 112.28 4.08 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.647 0 C5'-C4'-C3' 110.495 -3.337 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_