data_2jxi_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 2jxi _Structure_validation_residue.Date_analyzed 2016-10-07 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 ttt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.761 -0.459 . . . . 2.4100000000000001 109.761 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.22 68.98 0.78 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.394 0.616 . . . . 1.75 109.383 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.84 108.22 9.72 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.314 -0.857 . . . . 1.73 111.029 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.46 152.38 19.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.821 -0.627 . . . . 1.75 109.796 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 m -70.38 111.13 5.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.998 0.428 . . . . 1.6100000000000001 110.867 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.6 mt -112.96 172.11 7.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.09 -0.505 . . . . 1.2 110.555 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.39 86.91 1.16 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.743 -0.741 . . . . 1.6200000000000001 112.151 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.4 t -105.12 132.31 52.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.874 0.369 . . . . 1.3200000000000001 110.045 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -89.98 120.67 31.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.171 0.434 . . . . 3.0099999999999998 112.171 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.88 145.02 51.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.551 -0.75 . . . . 1.5 110.809 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -84.82 158.01 20.79 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.938 -0.573 . . . . 1.74 109.676 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.62 -58.53 16.61 Favored Pre-proline 0 N--CA 1.471 0.597 0 N-CA-C 112.714 0.635 . . . . 2.71 112.714 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.21 -31.41 74.59 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.079 1.853 . . . . 0.85999999999999999 111.878 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 m -64.72 -39.82 94.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.255 -0.646 . . . . 1.22 109.255 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.406 ' NH1' " H3'" ' C' ' 4' ' ' ' DG' . 0.0 OUTLIER -62.95 -40.39 97.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.631 -0.713 . . . . 2.73 110.568 178.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.36 -40.05 81.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.404 . . . . 2.1400000000000001 110.999 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -63.31 -35.61 80.94 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.705 -0.398 . . . . 1.8700000000000001 110.104 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.27 -43.25 96.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.491 -0.777 . . . . 1.22 109.342 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.19 -39.8 86.44 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.649 -0.705 . . . . 2.6099999999999999 110.172 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.12 94.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.67000000000000004 110.529 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.92 82.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.957 -0.565 . . . . 0.56999999999999995 109.81 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.03 85.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.475 -0.784 . . . . 0.53000000000000003 110.8 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -66.07 -34.89 79.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.819 -0.628 . . . . 1.1000000000000001 110.396 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.6 m -70.04 -32.14 70.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 1.45 111.803 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.3 tt -95.27 2.0 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.824 0.345 . . . . 0.68000000000000005 111.462 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t70 59.95 47.37 9.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.826 0.822 . . . . 1.8799999999999999 111.127 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -130.73 154.94 47.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.661 -0.7 . . . . 2.7799999999999998 111.086 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.08 138.92 82.0 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.49 -0.559 . . . . 1.9099999999999999 109.49 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.53 -35.4 55.87 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 123.073 2.516 . . . . 0.57999999999999996 112.722 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -63.22 -41.36 99.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.093 0.473 . . . . 2.27 110.928 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -74.91 -37.29 62.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.693 -0.685 . . . . 1.98 110.833 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -25.3 67.94 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.22 0.822 . . . . 0.75 113.22 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.6 mt -59.89 -46.8 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.934 0.397 . . . . 1.4299999999999999 110.39 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -83.53 -24.32 31.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.195 -0.457 . . . . 1.8799999999999999 111.837 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -74.97 -36.48 62.04 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.47 0.544 . . . . 1.25 112.47 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.12 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.54000000000000004 111.767 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.0 tp -64.7 -40.38 88.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.054 0.454 . . . . 0.65000000000000002 110.971 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.37 -41.21 89.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 1.6399999999999999 110.389 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -69.91 -27.7 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.949 -0.569 . . . . 0.88 110.714 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -59.5 -47.02 87.13 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.195 -0.668 . . . . 1.02 109.195 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -69.64 -29.12 66.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.505 -0.77 . . . . 0.66000000000000003 110.301 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -70.03 -35.88 74.64 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.533 -0.758 . . . . 1.49 111.286 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -70.29 -33.5 71.64 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.898 1.073 . . . . 1.28 113.898 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 pp -96.09 -29.71 13.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.679 0.622 . . . . 0.76000000000000001 112.679 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.248 0.99 0 O-C-N 123.926 0.767 . . . . 2.0600000000000001 112.388 -179.022 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.527 -0.175 . . . . 2.02 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.03 45.86 2.31 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.743 -0.836 . . . . 1.73 108.743 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 4.3 p -62.07 104.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.08 -0.964 . . . . 1.0600000000000001 112.124 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -91.45 159.32 16.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.951 -0.568 . . . . 1.51 109.989 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -75.86 113.98 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 1.6799999999999999 110.788 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.4 mt -115.11 156.97 24.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 1.1399999999999999 111.173 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.1 67.16 3.8 Favored Glycine 0 C--O 1.237 0.294 0 CA-C-N 116.056 -0.52 . . . . 1.4199999999999999 113.439 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -82.41 137.66 20.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 110.084 -0.339 . . . . 0.89000000000000001 110.084 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -94.49 124.59 38.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.835 0.35 . . . . 3.3399999999999999 111.293 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.9 mt -129.98 150.41 51.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.996 -0.547 . . . . 1.79 110.433 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -86.08 160.09 19.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.044 -0.525 . . . . 1.71 110.19 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.76 -56.32 30.32 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.156 0.798 . . . . 2.5600000000000001 113.156 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.99 -28.74 57.65 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.04 1.827 . . . . 0.90000000000000002 111.792 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 21.2 m -69.52 -31.08 69.09 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.203 -0.666 . . . . 1.1399999999999999 109.203 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -53.56 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.369 -0.832 . . . . 4.4699999999999998 110.726 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -60.55 -39.21 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.562 -0.744 . . . . 2.5800000000000001 111.238 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -39.64 88.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.964 -0.562 . . . . 2.1099999999999999 110.51 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.99 -40.42 87.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.099 0.476 . . . . 0.81999999999999995 110.172 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -66.64 -39.39 88.23 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.808 -0.633 . . . . 2.8999999999999999 110.335 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.37 93.62 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.997 -0.547 . . . . 0.87 110.344 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.06 82.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.815 -0.629 . . . . 0.65000000000000002 110.259 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.06 86.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.719 -0.673 . . . . 0.65000000000000002 110.748 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -66.05 -39.88 90.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 1.8200000000000001 110.252 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 54.6 m -62.44 -39.6 93.86 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.553 -0.749 . . . . 1.54 111.997 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 19.0 tt -89.48 1.53 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 112.013 0.375 . . . . 1.3500000000000001 112.013 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 59.97 52.91 4.93 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.819 0.819 . . . . 1.6000000000000001 111.542 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -139.65 153.37 47.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.527 -0.76 . . . . 1.8899999999999999 110.425 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' THR . . . . . . . . . . . . . 1.3 t -70.04 139.78 88.02 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.325 . . . . 1.49 110.267 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -48.06 -44.24 28.56 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.44 2.76 . . . . 0.64000000000000001 113.458 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -60.64 -40.23 91.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.088 0.47 . . . . 1.8 111.179 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -72.32 -40.19 67.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.898 -0.592 . . . . 2.5800000000000001 110.074 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.51 -32.61 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.321 -0.854 . . . . 0.62 112.047 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.01 -45.84 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.278 0.561 . . . . 1.29 109.755 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -69.45 -39.9 77.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.656 -0.702 . . . . 2.4900000000000002 110.46 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.15 -38.22 85.14 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.644 -0.707 . . . . 2.5499999999999998 112.185 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.71 76.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.752 0.279 . . . . 0.51000000000000001 111.752 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 9.7 tp -70.2 -39.43 76.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.845 0.355 . . . . 0.72999999999999998 111.548 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -66.83 -41.98 86.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.433 -0.349 . . . . 1.49 111.341 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -69.54 -26.59 64.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.79000000000000004 110.84 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.18 -47.04 86.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.976 -0.749 . . . . 0.80000000000000004 108.976 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 98.2 mt -70.06 -28.61 65.59 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.149 -0.932 . . . . 0.88 110.546 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -70.38 -40.52 73.91 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 121.316 0.579 . . . . 1.9099999999999999 111.446 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -62.51 -39.18 92.68 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.847 1.055 . . . . 1.3200000000000001 113.847 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 pp -93.88 -31.97 14.11 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.076 0.769 . . . . 1.29 113.076 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 C--O 1.249 1.049 0 O-C-N 123.737 0.648 . . . . 2.3500000000000001 112.615 -178.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.501 H2'' ' C6 ' ' C' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 O5'-C5'-C4' 111.584 0.989 . . . . 2.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' DC' . . . . . 0.501 ' C6 ' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 O4'-C1'-C2' 107.04 0.855 . . . . 1.5900000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' DG' . . . . . 0.403 ' C2 ' ' C2 ' ' D' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C4'-C3' 106.195 0.595 . . . . 1.4299999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' DG' . . . . . 0.406 " H3'" ' NH1' ' A' ' 15' ' ' ARG . . . . . . . . 0 P--O5' 1.583 -1.027 0 O4'-C1'-C2' 107.448 1.226 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.166 0.969 . . . . 2.0299999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.402 H2'' ' C8 ' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 N19-C1'-C2' 115.043 0.527 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . 0.539 H2'' ' C6 ' ' C' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 P-O3'-C3' 121.054 1.128 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' DC' . . . . . 0.539 ' C6 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 P-O3'-C3' 120.683 0.819 . . . . 1.9399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.534 H2'' ' C6 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 C4'-C3'-C2' 102.468 -0.732 . . . . 1.6399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.556 H2'' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 P-O3'-C3' 120.253 0.461 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.556 ' C5 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C1'-O4'-C4' 110.669 0.692 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C4'-C3' 106.417 0.817 . . . . 1.7 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.584 -0.894 0 P-O3'-C3' 120.707 0.84 . . . . 1.6799999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 106.752 0.593 . . . . 1.74 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ' DA' . . . . . 0.455 " H2'" HO5' ' D' ' 15' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O5'-C5'-C4' 111.65 1.035 . . . . 2.5800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.476 H2'' ' C8 ' ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.581 0 P-O3'-C3' 120.471 0.642 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ' DA' . . . . . 0.476 ' C8 ' H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 P-O3'-C3' 120.545 0.704 . . . . 2.0299999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 P-O3'-C3' 121.15 1.208 . . . . 1.71 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.604 0 P-O3'-C3' 121.088 1.156 . . . . 1.5600000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.584 -0.855 0 C4'-C3'-C2' 104.762 1.562 . . . . 2.3399999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.586 -0.731 0 O4'-C1'-C2' 107.294 1.085 . . . . 1.5600000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.464 H2'' ' C8 ' ' D' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 P-O3'-C3' 120.821 0.934 . . . . 1.5700000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ' DA' . . . . . 0.464 ' C8 ' H2'' ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 P-O3'-C3' 120.63 0.775 . . . . 2.2200000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ' DA' . . . . . 0.466 H2'' ' C5 ' ' D' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.543 0 P-O3'-C3' 120.819 0.932 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' ' DC' . . . . . 0.527 H2'' ' C5 ' ' D' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 106.681 0.528 . . . . 2.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' ' DC' . . . . . 0.527 ' C5 ' H2'' ' D' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C1'-O4'-C4' 110.473 0.552 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ' DG' . . . . . 0.441 H2'' ' C6 ' ' D' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.582 -0.618 . . . . 1.3600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' ' DC' . . . . . 0.441 ' C6 ' H2'' ' D' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 P-O3'-C3' 120.635 0.78 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HG2' HG23 ' A' ' 3' ' ' THR . 11.5 ttt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.761 -0.459 . . . . 2.4100000000000001 109.761 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.22 68.98 0.78 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.394 0.616 . . . . 1.75 109.383 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.816 ' HB ' ' HB3' ' B' ' 54' ' ' LYS . 0.9 OUTLIER -76.84 108.22 9.72 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.314 -0.857 . . . . 1.73 111.029 -179.133 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' B' ' 54' ' ' LYS . 0.2 OUTLIER -98.46 152.38 19.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.821 -0.627 . . . . 1.6799999999999999 109.796 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 m -70.38 111.13 5.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.998 0.428 . . . . 1.3600000000000001 110.867 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.817 HD12 ' HB2' ' B' ' 55' ' ' LEU . 48.6 mt -112.96 172.11 7.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.09 -0.505 . . . . 1.2 110.555 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.39 86.91 1.16 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.743 -0.741 . . . . 1.27 112.151 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' HB ' ' HB ' ' B' ' 53' ' ' VAL . 91.4 t -105.12 132.31 52.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.874 0.369 . . . . 1.3200000000000001 110.045 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.766 ' HB3' ' HB ' ' B' ' 48' ' ' THR . 34.1 mttp -89.98 120.67 31.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.171 0.434 . . . . 2.5600000000000001 112.171 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.83 HD21 HG12 ' B' ' 82' ' ' ILE . 13.2 mt -127.88 145.02 51.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.551 -0.75 . . . . 1.5 110.809 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -84.82 158.01 20.79 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.938 -0.573 . . . . 1.74 109.676 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.62 -58.53 16.61 Favored Pre-proline 0 N--CA 1.471 0.597 0 N-CA-C 112.714 0.635 . . . . 2.71 112.714 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.21 -31.41 74.59 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.079 1.853 . . . . 0.85999999999999999 111.878 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 m -64.72 -39.82 94.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.255 -0.646 . . . . 0.76000000000000001 109.255 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -40.39 97.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.631 -0.713 . . . . 2.23 110.568 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.36 -40.05 81.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.404 . . . . 2.1400000000000001 110.999 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -63.31 -35.61 80.94 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.705 -0.398 . . . . 1.6200000000000001 110.104 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.47 HD21 ' HA ' ' A' ' 33' ' ' ILE . 14.4 tp -60.27 -43.25 96.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.491 -0.777 . . . . 1.22 109.342 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.19 -39.8 86.44 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.649 -0.705 . . . . 2.1200000000000001 110.172 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.12 94.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.67000000000000004 110.529 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.92 82.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.957 -0.565 . . . . 0.56999999999999995 109.81 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.537 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -59.54 -40.03 85.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.475 -0.784 . . . . 0.53000000000000003 110.8 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -66.07 -34.89 79.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.819 -0.628 . . . . 0.98999999999999999 110.396 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.6 m -70.04 -32.14 70.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.83999999999999997 111.803 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 27' ' ' ARG . 18.3 tt -95.27 2.0 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.824 0.345 . . . . 0.68000000000000005 111.462 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t70 59.95 47.37 9.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.826 0.822 . . . . 1.8799999999999999 111.127 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.68 ' HB2' HG23 ' A' ' 25' ' ' ILE . 8.6 mpt_? -130.73 154.94 47.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.661 -0.7 . . . . 2.2599999999999998 111.086 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -72.08 138.92 82.0 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.49 -0.559 . . . . 1.5 109.49 178.26 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.421 ' O ' HG13 ' A' ' 33' ' ' ILE . 70.6 Cg_exo -51.53 -35.4 55.87 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 123.073 2.516 . . . . 0.57999999999999996 112.722 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.712 ' HB2' " H3'" ' C' ' 3' ' ' ' DG' . 6.6 t-160 -63.22 -41.36 99.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.093 0.473 . . . . 1.8700000000000001 110.928 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.537 ' HB2' HG23 ' A' ' 28' ' ' THR . 20.8 t-105 -74.91 -37.29 62.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.693 -0.685 . . . . 1.98 110.833 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HG ' ' HA ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -64.46 -25.3 67.94 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.22 0.822 . . . . 0.75 113.22 -178.21 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' HA ' HD21 ' A' ' 18' ' ' LEU . 86.6 mt -59.89 -46.8 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.934 0.397 . . . . 1.4299999999999999 110.39 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HD2' HG21 ' A' ' 3' ' ' THR . 18.8 pttp -83.53 -24.32 31.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.195 -0.457 . . . . 1.3799999999999999 111.837 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -74.97 -36.48 62.04 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.47 0.544 . . . . 1.24 112.47 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.12 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.54000000000000004 111.767 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.594 HG21 HD21 ' B' ' 55' ' ' LEU . 6.0 tp -64.7 -40.38 88.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.054 0.454 . . . . 0.65000000000000002 110.971 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.37 -41.21 89.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 1.6399999999999999 110.389 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -69.91 -27.7 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.949 -0.569 . . . . 0.72999999999999998 110.714 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -59.5 -47.02 87.13 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.195 -0.668 . . . . 0.41999999999999998 109.195 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -69.64 -29.12 66.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.505 -0.77 . . . . 0.66000000000000003 110.301 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -70.03 -35.88 74.64 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.533 -0.758 . . . . 1.49 111.286 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -70.29 -33.5 71.64 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.898 1.073 . . . . 1.28 113.898 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 1.3 pp -96.09 -29.71 13.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.679 0.622 . . . . 0.76000000000000001 112.679 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.248 0.99 0 O-C-N 123.926 0.767 . . . . 2.0600000000000001 112.388 -179.022 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.527 -0.175 . . . . 2.02 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.03 45.86 2.31 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.743 -0.836 . . . . 1.73 108.743 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.766 ' HB ' ' HB3' ' A' ' 9' ' ' LYS . 4.3 p -62.07 104.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.08 -0.964 . . . . 1.01 112.124 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 1.4 m -91.45 159.32 16.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.951 -0.568 . . . . 1.29 109.989 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -75.86 113.98 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 1.5900000000000001 110.788 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.77 HD12 ' HB2' ' A' ' 10' ' ' LEU . 72.4 mt -115.11 156.97 24.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 1.0800000000000001 111.173 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.1 67.16 3.8 Favored Glycine 0 C--O 1.237 0.294 0 CA-C-N 116.056 -0.52 . . . . 1.4199999999999999 113.439 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.458 HG13 HG22 ' A' ' 33' ' ' ILE . 90.3 t -82.41 137.66 20.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 110.084 -0.339 . . . . 0.89000000000000001 110.084 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.816 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 1.9 mptp? -94.49 124.59 38.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.835 0.35 . . . . 2.7200000000000002 111.293 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.817 ' HB2' HD12 ' A' ' 6' ' ' LEU . 85.9 mt -129.98 150.41 51.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.996 -0.547 . . . . 1.79 110.433 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.41 ' OD1' ' HD2' ' B' ' 58' ' ' PRO . 2.1 t0 -86.08 160.09 19.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.044 -0.525 . . . . 1.71 110.19 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.582 ' O ' ' HB2' ' B' ' 60' ' ' ARG . 30.6 t70 -62.76 -56.32 30.32 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.156 0.798 . . . . 2.5600000000000001 113.156 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.41 ' HD2' ' OD1' ' B' ' 56' ' ' ASP . 34.8 Cg_endo -64.99 -28.74 57.65 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.04 1.827 . . . . 0.90000000000000002 111.792 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 21.2 m -69.52 -31.08 69.09 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.203 -0.666 . . . . 1.05 109.203 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' B' ' 57' ' ' ASP . 0.0 OUTLIER -61.27 -53.56 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.369 -0.832 . . . . 3.77 110.726 178.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -60.55 -39.21 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.562 -0.744 . . . . 2.5800000000000001 111.238 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -39.64 88.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.964 -0.562 . . . . 1.48 110.51 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.99 -40.42 87.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.099 0.476 . . . . 0.81999999999999995 110.172 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -66.64 -39.39 88.23 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.808 -0.633 . . . . 2.3599999999999999 110.335 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.37 93.62 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.997 -0.547 . . . . 0.87 110.344 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.06 82.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.815 -0.629 . . . . 0.65000000000000002 110.259 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ALA . . . . . 0.502 ' HA ' ' HG ' ' B' ' 77' ' ' LEU . . . -59.77 -40.06 86.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.719 -0.673 . . . . 0.65000000000000002 110.748 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -66.05 -39.88 90.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 1.53 110.252 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 54.6 m -62.44 -39.6 93.86 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.553 -0.749 . . . . 1.1100000000000001 111.997 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 19.0 tt -89.48 1.53 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 112.013 0.375 . . . . 1.3500000000000001 112.013 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 59.97 52.91 4.93 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.819 0.819 . . . . 1.6000000000000001 111.542 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -139.65 153.37 47.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.527 -0.76 . . . . 1.5 110.425 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' THR . . . . . 0.694 HG23 ' HB2' ' B' ' 76' ' ' TRP . 1.3 t -70.04 139.78 88.02 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.325 . . . . 1.3799999999999999 110.267 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -48.06 -44.24 28.56 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.44 2.76 . . . . 0.64000000000000001 113.458 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.62 ' HB2' " H3'" ' D' ' 19' ' ' ' DG' . 12.7 t-160 -60.64 -40.23 91.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.088 0.47 . . . . 1.4299999999999999 111.179 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.694 ' HB2' HG23 ' B' ' 73' ' ' THR . 10.3 t-105 -72.32 -40.19 67.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.898 -0.592 . . . . 2.5800000000000001 110.074 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.502 ' HG ' ' HA ' ' B' ' 67' ' ' ALA . 1.1 tm? -60.51 -32.61 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.321 -0.854 . . . . 0.62 112.047 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.408 ' CG2' HG13 ' A' ' 8' ' ' VAL . 94.6 mt -59.01 -45.84 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.278 0.561 . . . . 1.29 109.755 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -69.45 -39.9 77.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.656 -0.702 . . . . 1.9299999999999999 110.46 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.15 -38.22 85.14 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.644 -0.707 . . . . 2.2400000000000002 112.185 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.71 76.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.752 0.279 . . . . 0.48999999999999999 111.752 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.83 HG12 HD21 ' A' ' 10' ' ' LEU . 9.7 tp -70.2 -39.43 76.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.845 0.355 . . . . 0.72999999999999998 111.548 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -66.83 -41.98 86.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.433 -0.349 . . . . 1.49 111.341 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -69.54 -26.59 64.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.70999999999999996 110.84 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.18 -47.04 86.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.976 -0.749 . . . . 0.80000000000000004 108.976 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 98.2 mt -70.06 -28.61 65.59 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.149 -0.932 . . . . 0.88 110.546 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -70.38 -40.52 73.91 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 121.316 0.579 . . . . 1.9099999999999999 111.446 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -62.51 -39.18 92.68 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.847 1.055 . . . . 0.87 113.847 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' B' ' 89' ' ' LEU . 1.4 pp -93.88 -31.97 14.11 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.076 0.769 . . . . 1.29 113.076 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 C--O 1.249 1.049 0 O-C-N 123.737 0.648 . . . . 2.3500000000000001 112.615 -178.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.506 H2'' ' C6 ' ' C' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 O5'-C5'-C4' 111.584 0.989 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' DC' . . . . . 0.506 ' C6 ' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 O4'-C1'-C2' 107.04 0.855 . . . . 1.5900000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' DG' . . . . . 0.712 " H3'" ' HB2' ' A' ' 30' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C4'-C3' 106.195 0.595 . . . . 1.4299999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' DG' . . . . . 0.477 ' OP2' ' HA ' ' A' ' 30' ' ' HIS . . . . . . . . 0 P--O5' 1.583 -1.027 0 O4'-C1'-C2' 107.448 1.226 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . 0.422 ' H72' ' C8 ' ' C' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.166 0.969 . . . . 1.3899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.406 H2'' ' C8 ' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 N19-C1'-C2' 115.043 0.527 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.546 H2'' ' C6 ' ' C' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 P-O3'-C3' 121.054 1.128 . . . . 2.0299999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' DC' . . . . . 0.546 ' C6 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 P-O3'-C3' 120.683 0.819 . . . . 1.9399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . 0.546 H2'' ' C6 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 C4'-C3'-C2' 102.468 -0.732 . . . . 1.6399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.564 H2'' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 P-O3'-C3' 120.253 0.461 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.564 ' C5 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C1'-O4'-C4' 110.669 0.692 . . . . 1.73 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C4'-C3' 106.417 0.817 . . . . 1.47 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.584 -0.894 0 P-O3'-C3' 120.707 0.84 . . . . 1.3600000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 106.752 0.593 . . . . 1.71 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ' DA' . . . . . 0.442 H2'' ' C8 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O5'-C5'-C4' 111.65 1.035 . . . . 2.4100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.483 H2'' ' C8 ' ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.581 0 P-O3'-C3' 120.471 0.642 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ' DA' . . . . . 0.483 ' C8 ' H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 P-O3'-C3' 120.545 0.704 . . . . 2.0299999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 P-O3'-C3' 121.15 1.208 . . . . 1.71 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.62 " H3'" ' HB2' ' B' ' 75' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.604 0 P-O3'-C3' 121.088 1.156 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.584 -0.855 0 C4'-C3'-C2' 104.762 1.562 . . . . 1.8600000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.586 -0.731 0 O4'-C1'-C2' 107.294 1.085 . . . . 1.5600000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.463 H2'' ' C8 ' ' D' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 P-O3'-C3' 120.821 0.934 . . . . 1.5700000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ' DA' . . . . . 0.463 ' C8 ' H2'' ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 P-O3'-C3' 120.63 0.775 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ' DA' . . . . . 0.483 H2'' ' C5 ' ' D' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.543 0 P-O3'-C3' 120.819 0.932 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' ' DC' . . . . . 0.535 H2'' ' C5 ' ' D' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 106.681 0.528 . . . . 2.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' ' DC' . . . . . 0.535 ' C5 ' H2'' ' D' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C1'-O4'-C4' 110.473 0.552 . . . . 1.51 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ' DG' . . . . . 0.452 H2'' ' C6 ' ' D' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.582 -0.618 . . . . 1.3600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' ' DC' . . . . . 0.452 ' C6 ' H2'' ' D' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 P-O3'-C3' 120.635 0.78 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HG2' HG23 ' A' ' 3' ' ' THR . 11.5 ttt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.761 -0.459 . . . . 2.4100000000000001 109.761 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.22 68.98 0.78 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.394 0.616 . . . . 1.75 109.383 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.816 ' HB ' ' HB3' ' B' ' 54' ' ' LYS . 0.9 OUTLIER -76.84 108.22 9.72 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.314 -0.857 . . . . 1.73 111.029 -179.133 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' B' ' 54' ' ' LYS . 0.2 OUTLIER -98.46 152.38 19.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.821 -0.627 . . . . 1.6799999999999999 109.796 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.1 m -70.38 111.13 5.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.998 0.428 . . . . 1.3600000000000001 110.867 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.817 HD12 ' HB2' ' B' ' 55' ' ' LEU . 48.6 mt -112.96 172.11 7.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.09 -0.505 . . . . 1.2 110.555 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.39 86.91 1.16 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.743 -0.741 . . . . 1.27 112.151 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' HB ' ' HB ' ' B' ' 53' ' ' VAL . 91.4 t -105.12 132.31 52.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.874 0.369 . . . . 1.3200000000000001 110.045 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.766 ' HB3' ' HB ' ' B' ' 48' ' ' THR . 34.1 mttp -89.98 120.67 31.39 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.171 0.434 . . . . 2.5600000000000001 112.171 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.83 HD21 HG12 ' B' ' 82' ' ' ILE . 13.2 mt -127.88 145.02 51.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.551 -0.75 . . . . 1.5 110.809 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -84.82 158.01 20.79 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.938 -0.573 . . . . 1.74 109.676 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.62 -58.53 16.61 Favored Pre-proline 0 N--CA 1.471 0.597 0 N-CA-C 112.714 0.635 . . . . 2.71 112.714 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.21 -31.41 74.59 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.079 1.853 . . . . 0.85999999999999999 111.878 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.8 m -64.72 -39.82 94.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.255 -0.646 . . . . 0.76000000000000001 109.255 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -40.39 97.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.631 -0.713 . . . . 2.23 110.568 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.36 -40.05 81.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.404 . . . . 2.1400000000000001 110.999 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -63.31 -35.61 80.94 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.705 -0.398 . . . . 1.6200000000000001 110.104 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.47 HD21 ' HA ' ' A' ' 33' ' ' ILE . 14.4 tp -60.27 -43.25 96.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.491 -0.777 . . . . 1.22 109.342 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.19 -39.8 86.44 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.649 -0.705 . . . . 2.1200000000000001 110.172 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.12 94.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.67000000000000004 110.529 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.92 82.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.957 -0.565 . . . . 0.56999999999999995 109.81 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.537 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -59.54 -40.03 85.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.475 -0.784 . . . . 0.53000000000000003 110.8 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -66.07 -34.89 79.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.819 -0.628 . . . . 0.98999999999999999 110.396 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.6 m -70.04 -32.14 70.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.83999999999999997 111.803 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 27' ' ' ARG . 18.3 tt -95.27 2.0 9.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 120.824 0.345 . . . . 0.68000000000000005 111.462 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 t70 59.95 47.37 9.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.826 0.822 . . . . 1.8799999999999999 111.127 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.68 ' HB2' HG23 ' A' ' 25' ' ' ILE . 8.6 mpt_? -130.73 154.94 47.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.661 -0.7 . . . . 2.2599999999999998 111.086 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 31' ' ' TRP . 0.9 OUTLIER -72.08 138.92 82.0 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.49 -0.559 . . . . 1.5 109.49 178.26 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.421 ' O ' HG13 ' A' ' 33' ' ' ILE . 70.6 Cg_exo -51.53 -35.4 55.87 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 123.073 2.516 . . . . 0.57999999999999996 112.722 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.712 ' HB2' " H3'" ' C' ' 3' ' ' ' DG' . 6.6 t-160 -63.22 -41.36 99.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.093 0.473 . . . . 1.8700000000000001 110.928 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.537 ' HB2' HG23 ' A' ' 28' ' ' THR . 20.8 t-105 -74.91 -37.29 62.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.693 -0.685 . . . . 1.98 110.833 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HG ' ' HA ' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -64.46 -25.3 67.94 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.22 0.822 . . . . 0.75 113.22 -178.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' HA ' HD21 ' A' ' 18' ' ' LEU . 86.6 mt -59.89 -46.8 93.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.934 0.397 . . . . 1.4299999999999999 110.39 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HD2' HG21 ' A' ' 3' ' ' THR . 18.8 pttp -83.53 -24.32 31.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.195 -0.457 . . . . 1.3799999999999999 111.837 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -74.97 -36.48 62.04 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.47 0.544 . . . . 1.24 112.47 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.12 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.54000000000000004 111.767 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.594 HG21 HD21 ' B' ' 55' ' ' LEU . 6.0 tp -64.7 -40.38 88.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.054 0.454 . . . . 0.65000000000000002 110.971 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -66.37 -41.21 89.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 1.6399999999999999 110.389 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -69.91 -27.7 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.949 -0.569 . . . . 0.72999999999999998 110.714 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -59.5 -47.02 87.13 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.195 -0.668 . . . . 0.41999999999999998 109.195 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -69.64 -29.12 66.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.505 -0.77 . . . . 0.66000000000000003 110.301 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -70.03 -35.88 74.64 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.533 -0.758 . . . . 1.49 111.286 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -70.29 -33.5 71.64 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.898 1.073 . . . . 1.28 113.898 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 1.3 pp -96.09 -29.71 13.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.679 0.622 . . . . 0.76000000000000001 112.679 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.248 0.99 0 O-C-N 123.926 0.767 . . . . 2.0600000000000001 112.388 -179.022 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.486 1.342 0 N-CA-C 110.527 -0.175 . . . . 2.02 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.03 45.86 2.31 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.743 -0.836 . . . . 1.73 108.743 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.766 ' HB ' ' HB3' ' A' ' 9' ' ' LYS . 4.3 p -62.07 104.38 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.08 -0.964 . . . . 1.01 112.124 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 9' ' ' LYS . 1.4 m -91.45 159.32 16.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.951 -0.568 . . . . 1.29 109.989 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -75.86 113.98 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 1.5900000000000001 110.788 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.77 HD12 ' HB2' ' A' ' 10' ' ' LEU . 72.4 mt -115.11 156.97 24.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 1.0800000000000001 111.173 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.1 67.16 3.8 Favored Glycine 0 C--O 1.237 0.294 0 CA-C-N 116.056 -0.52 . . . . 1.4199999999999999 113.439 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.458 HG13 HG22 ' A' ' 33' ' ' ILE . 90.3 t -82.41 137.66 20.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 110.084 -0.339 . . . . 0.89000000000000001 110.084 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.816 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 1.9 mptp? -94.49 124.59 38.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.835 0.35 . . . . 2.7200000000000002 111.293 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.817 ' HB2' HD12 ' A' ' 6' ' ' LEU . 85.9 mt -129.98 150.41 51.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.996 -0.547 . . . . 1.79 110.433 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.41 ' OD1' ' HD2' ' B' ' 58' ' ' PRO . 2.1 t0 -86.08 160.09 19.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.044 -0.525 . . . . 1.71 110.19 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.582 ' O ' ' HB2' ' B' ' 60' ' ' ARG . 30.6 t70 -62.76 -56.32 30.32 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 113.156 0.798 . . . . 2.5600000000000001 113.156 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.41 ' HD2' ' OD1' ' B' ' 56' ' ' ASP . 34.8 Cg_endo -64.99 -28.74 57.65 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.04 1.827 . . . . 0.90000000000000002 111.792 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 21.2 m -69.52 -31.08 69.09 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.203 -0.666 . . . . 1.05 109.203 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' B' ' 57' ' ' ASP . 0.0 OUTLIER -61.27 -53.56 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.369 -0.832 . . . . 3.77 110.726 178.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -60.55 -39.21 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.562 -0.744 . . . . 2.5800000000000001 111.238 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -39.64 88.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.964 -0.562 . . . . 1.48 110.51 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.99 -40.42 87.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.099 0.476 . . . . 0.81999999999999995 110.172 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -66.64 -39.39 88.23 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.808 -0.633 . . . . 2.3599999999999999 110.335 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.37 93.62 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.997 -0.547 . . . . 0.87 110.344 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.06 82.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.815 -0.629 . . . . 0.65000000000000002 110.259 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.502 ' HA ' ' HG ' ' B' ' 77' ' ' LEU . . . -59.77 -40.06 86.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.719 -0.673 . . . . 0.65000000000000002 110.748 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -66.05 -39.88 90.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.978 -0.555 . . . . 1.53 110.252 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 54.6 m -62.44 -39.6 93.86 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.553 -0.749 . . . . 1.1100000000000001 111.997 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 19.0 tt -89.48 1.53 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 112.013 0.375 . . . . 1.3500000000000001 112.013 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 59.97 52.91 4.93 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.819 0.819 . . . . 1.6000000000000001 111.542 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -139.65 153.37 47.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.527 -0.76 . . . . 1.5 110.425 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' THR . . . . . 0.694 HG23 ' HB2' ' B' ' 76' ' ' TRP . 1.3 t -70.04 139.78 88.02 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.484 -0.325 . . . . 1.3799999999999999 110.267 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -48.06 -44.24 28.56 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.44 2.76 . . . . 0.64000000000000001 113.458 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.62 ' HB2' " H3'" ' D' ' 19' ' ' ' DG' . 12.7 t-160 -60.64 -40.23 91.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.088 0.47 . . . . 1.4299999999999999 111.179 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.694 ' HB2' HG23 ' B' ' 73' ' ' THR . 10.3 t-105 -72.32 -40.19 67.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.898 -0.592 . . . . 2.5800000000000001 110.074 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.502 ' HG ' ' HA ' ' B' ' 67' ' ' ALA . 1.1 tm? -60.51 -32.61 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.321 -0.854 . . . . 0.62 112.047 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.408 ' CG2' HG13 ' A' ' 8' ' ' VAL . 94.6 mt -59.01 -45.84 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.278 0.561 . . . . 1.29 109.755 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -69.45 -39.9 77.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.656 -0.702 . . . . 1.9299999999999999 110.46 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -67.15 -38.22 85.14 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.644 -0.707 . . . . 2.2400000000000002 112.185 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.71 76.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.752 0.279 . . . . 0.48999999999999999 111.752 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.83 HG12 HD21 ' A' ' 10' ' ' LEU . 9.7 tp -70.2 -39.43 76.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.845 0.355 . . . . 0.72999999999999998 111.548 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -66.83 -41.98 86.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.433 -0.349 . . . . 1.49 111.341 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -69.54 -26.59 64.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.70999999999999996 110.84 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.18 -47.04 86.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.976 -0.749 . . . . 0.80000000000000004 108.976 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 98.2 mt -70.06 -28.61 65.59 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.149 -0.932 . . . . 0.88 110.546 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -70.38 -40.52 73.91 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 121.316 0.579 . . . . 1.9099999999999999 111.446 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -62.51 -39.18 92.68 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.847 1.055 . . . . 0.87 113.847 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' B' ' 89' ' ' LEU . 1.4 pp -93.88 -31.97 14.11 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.076 0.769 . . . . 1.29 113.076 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 . . . . . 0 C--O 1.249 1.049 0 O-C-N 123.737 0.648 . . . . 2.3500000000000001 112.615 -178.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.506 H2'' ' C6 ' ' C' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 O5'-C5'-C4' 111.584 0.989 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' DC' . . . . . 0.506 ' C6 ' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 O4'-C1'-C2' 107.04 0.855 . . . . 1.5900000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' DG' . . . . . 0.712 " H3'" ' HB2' ' A' ' 30' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C4'-C3' 106.195 0.595 . . . . 1.4299999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' DG' . . . . . 0.477 ' OP2' ' HA ' ' A' ' 30' ' ' HIS . . . . . . . . 0 P--O5' 1.583 -1.027 0 O4'-C1'-C2' 107.448 1.226 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.422 ' H72' ' C8 ' ' C' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.166 0.969 . . . . 1.3899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.406 H2'' ' C8 ' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 N19-C1'-C2' 115.043 0.527 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.546 H2'' ' C6 ' ' C' ' 8' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 P-O3'-C3' 121.054 1.128 . . . . 2.0299999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' DC' . . . . . 0.546 ' C6 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 P-O3'-C3' 120.683 0.819 . . . . 1.9399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . 0.546 H2'' ' C6 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 C4'-C3'-C2' 102.468 -0.732 . . . . 1.6399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.564 H2'' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 P-O3'-C3' 120.253 0.461 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.564 ' C5 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C1'-O4'-C4' 110.669 0.692 . . . . 1.73 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C4'-C3' 106.417 0.817 . . . . 1.47 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.584 -0.894 0 P-O3'-C3' 120.707 0.84 . . . . 1.3600000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.69 0 O4'-C1'-C2' 106.752 0.593 . . . . 1.71 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ' DA' . . . . . 0.442 H2'' ' C8 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O5'-C5'-C4' 111.65 1.035 . . . . 2.4100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.483 H2'' ' C8 ' ' D' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.581 0 P-O3'-C3' 120.471 0.642 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ' DA' . . . . . 0.483 ' C8 ' H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 P-O3'-C3' 120.545 0.704 . . . . 2.0299999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 P-O3'-C3' 121.15 1.208 . . . . 1.71 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.62 " H3'" ' HB2' ' B' ' 75' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.604 0 P-O3'-C3' 121.088 1.156 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.584 -0.855 0 C4'-C3'-C2' 104.762 1.562 . . . . 1.8600000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.586 -0.731 0 O4'-C1'-C2' 107.294 1.085 . . . . 1.5600000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.463 H2'' ' C8 ' ' D' ' 23' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 P-O3'-C3' 120.821 0.934 . . . . 1.5700000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ' DA' . . . . . 0.463 ' C8 ' H2'' ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 P-O3'-C3' 120.63 0.775 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ' DA' . . . . . 0.483 H2'' ' C5 ' ' D' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.543 0 P-O3'-C3' 120.819 0.932 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' ' DC' . . . . . 0.535 H2'' ' C5 ' ' D' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 106.681 0.528 . . . . 2.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' ' DC' . . . . . 0.535 ' C5 ' H2'' ' D' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C1'-O4'-C4' 110.473 0.552 . . . . 1.51 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ' DG' . . . . . 0.452 H2'' ' C6 ' ' D' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 102.582 -0.618 . . . . 1.3600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' ' DC' . . . . . 0.452 ' C6 ' H2'' ' D' ' 27' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 P-O3'-C3' 120.635 0.78 . . . . 1.54 . . . . . . . . . . 1 1 . 1 stop_ save_