data_1a6b_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 1a6b _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 ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.71 -56.58 17.66 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.371 1.068 . . . . 0.0 112.157 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -89.78 162.05 15.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.587 1.955 . . . . 0.0 113.385 -169.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -61.81 130.34 45.26 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.263 1.025 . . . . 0.0 110.553 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.08 79.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.918 0.887 . . . . 0.0 112.432 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -76.32 -55.12 5.85 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.376 1.47 . . . . 0.0 111.303 -169.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.7 p -130.31 -15.53 3.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.598 1.559 . . . . 0.0 112.961 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 58.94 4.95 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.091 0.86 . . . . 0.0 110.672 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -119.27 157.24 28.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.861 1.664 . . . . 0.0 108.721 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 pttt 29.85 -117.38 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 129.142 2.977 . . . . 0.0 114.891 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.36 13.57 3.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.694 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -84.91 -169.2 2.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.503 1.151 . . . . 0.0 108.564 169.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -141.85 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.098 0.559 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.87 -19.38 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -64.3 -33.11 75.07 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 112.06 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -124.19 18.63 9.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.211 1.804 . . . . 0.0 112.152 -169.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.41 127.35 91.32 Favored Pre-proline 0 CA--C 1.535 0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 110.897 -169.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -77.92 -20.79 11.46 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.809 3.672 . . . . 0.0 112.096 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -71.59 -47.21 56.28 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tttm . . . . . 0 N--CA 1.448 -0.527 0 C-N-CA 124.464 1.106 . . . . 0.0 108.687 174.109 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 121.074 0.464 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.68 -38.92 49.59 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.542 2.337 . . . . 0.0 113.872 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -143.69 179.08 7.36 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -168.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.03 159.65 19.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.555 1.542 . . . . 0.0 111.853 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.43 -34.15 5.03 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.405 1.482 . . . . 0.0 111.936 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.34 -49.98 56.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.899 1.28 . . . . 0.0 111.036 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.3 p -124.13 -16.68 6.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.409 1.884 . . . . 0.0 111.355 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mptt 59.03 39.49 23.35 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.172 0.989 . . . . 0.0 111.525 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.09 159.35 15.61 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.511 1.524 . . . . 0.0 109.207 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? 33.68 -113.84 0.06 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.968 2.507 . . . . 0.0 114.5 171.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 18.99 1.03 Allowed Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.478 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -83.41 -170.76 3.21 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 168.25 15.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 123.135 0.574 . . . . 0.0 112.313 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.11 -27.52 66.53 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -56.54 -34.56 67.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 128.834 2.853 . . . . 0.0 112.852 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -116.33 -21.69 9.18 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.708 1.603 . . . . 0.0 113.978 -168.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 t -40.42 120.74 1.65 Allowed Pre-proline 0 N--CA 1.453 -0.325 0 C-N-CA 127.502 2.321 . . . . 0.0 113.639 -167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.39 -14.96 16.06 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 124.339 3.359 . . . . 0.0 112.52 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -69.35 -48.11 62.32 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 N--CA 1.443 -0.783 0 C-N-CA 127.67 2.388 . . . . 0.0 109.302 169.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.131 0.049 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.19 -44.87 33.14 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.627 2.771 . . . . 0.0 114.764 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -95.68 168.28 10.77 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.4 t -60.33 153.43 22.69 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 126.691 1.996 . . . . 0.0 111.43 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.81 8.58 26.74 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.836 1.255 . . . . 0.0 113.517 -172.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -127.93 -54.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.346 1.059 . . . . 0.0 108.358 -169.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.04 -13.48 11.87 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.239 1.816 . . . . 0.0 111.496 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm 78.23 13.35 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.941 1.296 . . . . 0.0 113.728 169.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.51 143.57 46.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.831 1.252 . . . . 0.0 110.763 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -85.76 -38.82 17.82 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.963 1.305 . . . . 0.0 110.478 -174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -19.64 14.5 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.463 1.506 . . . . 0.0 114.502 -176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -146.58 -167.11 2.66 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.453 1.126 . . . . 0.0 109.112 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.19 176.09 8.91 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.631 1.172 . . . . 0.0 111.635 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.49 87.57 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -46.15 -34.67 4.44 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.706 2.402 . . . . 0.0 112.259 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -135.35 26.21 3.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.009 1.324 . . . . 0.0 113.17 -168.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 38.4 t -79.3 124.28 84.29 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 119.731 1.151 . . . . 0.0 109.741 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.66 -24.01 10.66 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.585 2.857 . . . . 0.0 112.153 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -74.3 -42.88 58.81 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.435 1.094 . . . . 0.0 108.774 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 124.375 1.07 . . . . 0.0 108.131 169.179 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.0 -52.76 62.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.858 1.663 . . . . 0.0 113.258 -173.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.35 160.66 32.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -168.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 t -67.15 120.71 14.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.369 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.97 48.28 1.44 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.768 0.827 . . . . 0.0 112.405 -174.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -158.65 -53.68 0.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -174.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -16.79 4.15 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.288 1.435 . . . . 0.0 112.83 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 58.73 46.05 14.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.352 1.061 . . . . 0.0 111.38 174.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 174.58 9.68 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 122.909 1.338 . . . . 0.0 113.209 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.297 52.9 tttp -27.32 -66.77 0.07 Allowed 'General case' 0 N--CA 1.434 -1.261 1 C-N-CA 133.772 4.829 . . . . 0.0 113.079 167.575 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.64 72.22 0.12 Allowed Glycine 0 C--N 1.339 0.741 0 C-N-CA 121.652 -0.309 . . . . 0.0 113.506 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -156.5 -158.2 0.77 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.199 1.4 . . . . 0.0 107.411 168.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.28 174.71 10.24 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.18 0.592 . . . . 0.0 112.229 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.37 -31.11 72.18 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 172.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -48.44 -47.87 37.82 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 127.671 2.388 . . . . 0.0 111.132 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -112.35 5.86 18.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.044 1.738 . . . . 0.0 113.82 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 t -63.03 124.28 83.21 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 119.573 1.079 . . . . 0.0 111.622 -168.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.43 -24.87 10.24 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 124.901 3.734 . . . . 0.0 112.196 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -75.25 -44.05 48.14 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.217 1.007 . . . . 0.0 109.228 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 tttm . . . . . 0 N--CA 1.449 -0.516 0 C-N-CA 126.531 1.932 . . . . 0.0 109.441 173.828 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 . . . . . 0 CA--C 1.534 0.361 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -25.17 62.26 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.08 1.752 . . . . 0.0 115.109 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.74 155.17 21.99 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.095 0.958 . . . . 0.0 112.813 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.92 140.65 58.89 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 122.96 0.504 . . . . 0.0 110.125 169.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.01 27.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.3 1.04 . . . . 0.0 112.706 -176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -150.04 -54.69 0.16 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.51 1.524 . . . . 0.0 107.977 -169.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.06 -24.11 11.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.816 2.046 . . . . 0.0 111.423 -169.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 41.39 8.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.459 1.104 . . . . 0.0 110.079 -168.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 169.45 14.38 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 122.813 1.292 . . . . 0.0 114.128 -168.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.305 79.8 tttt -27.1 -63.76 0.08 Allowed 'General case' 0 N--CA 1.434 -1.257 1 C-N-CA 133.263 4.625 . . . . 0.0 112.456 167.559 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.61 57.21 0.24 Allowed Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.474 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -148.57 176.34 10.41 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.48 173.82 10.21 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.33 1.052 . . . . 0.0 111.819 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.12 91.51 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -44.55 12.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 128.05 2.54 . . . . 0.0 111.621 169.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -114.29 10.72 17.22 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.069 1.747 . . . . 0.0 112.48 -169.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 45.9 t -66.55 126.18 91.77 Favored Pre-proline 0 N--CA 1.451 -0.423 0 O-C-N 121.549 -0.719 . . . . 0.0 112.799 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -85.75 -29.79 0.53 Allowed 'Trans proline' 0 N--CA 1.449 -1.137 1 C-N-CA 125.332 4.021 . . . . 0.0 112.454 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -73.25 -25.16 60.6 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.298 0.499 . . . . 0.0 110.971 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm . . . . . 0 N--CA 1.446 -0.642 0 C-N-CA 124.901 1.28 . . . . 0.0 109.443 174.835 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.779 0.324 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.2 -41.01 78.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.571 1.148 . . . . 0.0 112.032 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -107.88 154.4 21.64 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 113.415 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.29 153.92 33.31 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.463 1.105 . . . . 0.0 110.126 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.1 46.09 0.95 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.231 1.013 . . . . 0.0 111.543 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -166.23 -48.49 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -172.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 36.4 m -105.85 -27.38 11.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.224 2.21 . . . . 0.0 109.531 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 65.08 23.77 12.45 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 110.024 -171.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.25 138.43 33.87 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.147 2.579 . . . . 0.0 108.699 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -87.25 -34.65 18.87 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.777 1.231 . . . . 0.0 110.484 -171.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.14 -26.88 2.37 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.294 1.902 . . . . 0.0 113.948 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.413 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 8.9 p-80 -146.02 -168.97 3.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.249 1.025 . . . . 0.0 109.743 172.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -136.67 166.61 23.16 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 124.751 1.22 . . . . 0.0 109.941 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.32 -29.6 64.08 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -52.02 -52.41 50.96 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 124.355 1.062 . . . . 0.0 111.923 172.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.81 -32.08 18.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 127.206 2.203 . . . . 0.0 112.053 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 50.7 t -27.23 112.0 0.23 Allowed Pre-proline 0 N--CA 1.445 -0.679 0 C-N-CA 128.637 2.775 . . . . 0.0 115.29 -168.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 76.7 Cg_endo -71.9 -25.37 19.97 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 124.41 3.407 . . . . 0.0 112.546 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -80.4 -18.88 47.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.487 0.585 . . . . 0.0 111.57 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tttm . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 124.291 1.036 . . . . 0.0 109.546 175.625 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.98 -57.25 11.35 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.472 2.309 . . . . 0.0 115.256 -176.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.45 165.78 13.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -167.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.81 135.78 57.52 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.282 1.033 . . . . 0.0 112.315 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.49 46.22 1.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.781 1.632 . . . . 0.0 112.475 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -168.85 -51.67 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -172.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.9 m -113.12 -28.99 7.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.346 1.858 . . . . 0.0 110.487 -170.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 56.02 3.14 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 125.756 1.623 . . . . 0.0 109.382 -169.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -94.73 167.16 11.62 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.342 1.857 . . . . 0.0 111.035 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -34.52 -56.79 0.52 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 128.978 2.911 . . . . 0.0 113.867 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.44 56.03 0.29 Allowed Glycine 0 C--N 1.341 0.809 0 C-N-CA 121.108 -0.568 . . . . 0.0 114.506 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -148.28 169.21 20.6 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 166.54 18.48 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.897 0.879 . . . . 0.0 110.881 -175.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.33 -15.58 26.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -64.8 -59.32 4.36 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.66 0.664 . . . . 0.0 110.285 169.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.57 -27.96 41.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.97 1.708 . . . . 0.0 112.875 -172.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -34.83 126.76 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.377 0 C-N-CA 128.384 2.674 . . . . 0.0 115.302 -168.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.5 -31.67 2.56 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.98 3.12 . . . . 0.0 110.957 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.97 -14.13 60.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.697 0.799 . . . . 0.0 112.191 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 tttm . . . . . 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.926 . . . . 0.0 109.69 178.521 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 119.433 -0.318 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.33 -56.84 13.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.158 1.383 . . . . 0.0 112.884 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -101.47 168.0 9.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.908 0.883 . . . . 0.0 113.364 -168.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 39.9 t -60.1 131.04 49.59 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 123.901 0.88 . . . . 0.0 111.618 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.63 48.47 0.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.876 1.67 . . . . 0.0 112.202 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -169.91 -53.21 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -170.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.2 m -119.47 -27.6 5.52 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 125.676 1.591 . . . . 0.0 111.183 -169.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.69 55.45 2.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 126.484 1.914 . . . . 0.0 110.831 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.04 165.82 17.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.289 1.435 . . . . 0.0 110.265 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -35.74 -57.55 0.65 Allowed 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 128.343 2.657 . . . . 0.0 113.943 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 50.65 0.5 Allowed Glycine 0 C--N 1.341 0.853 0 CA-C-O 119.482 -0.621 . . . . 0.0 114.486 -169.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -145.61 169.63 18.05 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 167.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.68 166.71 21.99 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.887 0.875 . . . . 0.0 111.318 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.08 -13.85 30.55 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.913 0.779 . . . . 0.0 112.517 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.33 -59.16 3.96 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.976 0.91 . . . . 0.0 109.93 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -23.98 37.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.893 2.077 . . . . 0.0 113.716 -169.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 18.8 t -31.64 113.66 0.35 Allowed Pre-proline 0 N--CA 1.448 -0.543 0 C-N-CA 127.954 2.502 . . . . 0.0 115.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.25 -24.11 1.72 Allowed 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 124.076 3.184 . . . . 0.0 111.518 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -66.03 -45.51 81.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.799 1.24 . . . . 0.0 108.192 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tttm . . . . . 0 N--CA 1.446 -0.671 0 C-N-CA 128.105 2.562 . . . . 0.0 109.088 173.195 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 . . . . . 0 C--O 1.222 -0.369 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.19 -56.23 12.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.478 0.711 . . . . 0.0 111.294 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -82.27 151.87 26.59 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.138 1.375 . . . . 0.0 114.329 -168.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.48 134.72 57.19 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.47 75.06 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -86.82 -53.84 4.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.032 2.133 . . . . 0.0 111.16 -171.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.52 -35.91 7.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.409 1.884 . . . . 0.0 110.761 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.0 47.53 19.65 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.099 0.874 . . . . 0.0 109.623 -168.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -82.3 171.54 14.12 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.563 1.145 . . . . 0.0 110.293 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.402 ' CG ' ' H ' ' B' ' 33' ' ' GLY . 22.0 pttm -12.92 -61.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.194 0 C-N-CA 130.629 3.572 . . . . 0.0 115.459 174.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.402 ' H ' ' CG ' ' B' ' 32' ' ' LYS . . . -172.21 -0.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.44 -173.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -75.79 168.86 19.25 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 120.179 1.99 . . . . 0.0 108.488 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.67 170.19 11.78 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 124.039 0.936 . . . . 0.0 111.492 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.84 -28.23 61.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.39 0.541 . . . . 0.0 111.124 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -68.01 -42.56 80.5 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.458 0.703 . . . . 0.0 112.797 172.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -100.16 22.7 11.01 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.732 1.213 . . . . 0.0 110.397 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.63 120.95 84.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 O-C-N 121.596 -0.69 . . . . 0.0 111.533 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -83.18 -28.67 1.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 124.595 3.53 . . . . 0.0 112.532 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.28 72.59 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.635 0.774 . . . . 0.0 109.639 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp . . . . . 0 N--CA 1.438 -1.035 0 C-N-CA 125.722 1.609 . . . . 0.0 109.902 171.812 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.97 -46.98 84.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.056 2.142 . . . . 0.0 114.253 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -70.5 156.15 39.76 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -169.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.66 123.41 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 169.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.35 -35.14 79.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.278 0.631 . . . . 0.0 112.504 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -75.83 -50.92 13.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.808 1.643 . . . . 0.0 111.598 -169.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 11.9 p -137.87 -3.84 1.8 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.657 1.183 . . . . 0.0 113.167 -169.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 55.5 3.4 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.583 1.553 . . . . 0.0 112.659 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.31 -145.46 0.08 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.437 1.495 . . . . 0.0 111.858 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -82.52 -66.53 0.88 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.814 1.646 . . . . 0.0 111.741 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.88 58.63 0.43 Allowed Glycine 0 C--N 1.342 0.875 0 CA-C-O 120.266 -0.186 . . . . 0.0 112.924 -169.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -151.11 -174.19 4.73 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 168.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.14 168.05 20.11 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.429 0.692 . . . . 0.0 111.347 -176.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.77 -35.88 66.74 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 118.311 0.505 . . . . 0.0 111.524 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -51.58 -49.56 61.85 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.229 1.012 . . . . 0.0 111.847 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -98.68 5.73 47.48 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.028 1.731 . . . . 0.0 112.108 -169.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.99 123.24 68.1 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 118.329 0.513 . . . . 0.0 111.989 -168.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.72 -27.48 3.98 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 125.011 3.807 . . . . 0.0 112.572 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -71.29 -43.12 67.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.554 2.342 . . . . 0.0 109.569 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? . . . . . 0 CA--C 1.537 0.475 0 C-N-CA 126.837 2.055 . . . . 0.0 109.403 172.868 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.93 -15.89 62.65 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -70.66 158.98 35.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.001 1.273 . . . . 0.0 112.745 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 t -73.64 143.04 46.46 Favored 'General case' 0 C--N 1.346 0.413 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.0 29.69 1.02 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.71 1.204 . . . . 0.0 112.174 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -152.38 -55.48 0.13 Allowed 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.76 0.824 . . . . 0.0 108.951 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.55 -19.15 13.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 125.048 1.339 . . . . 0.0 111.163 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt 62.93 39.13 10.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.154 0.982 . . . . 0.0 108.457 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 171.92 9.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.253 1.421 . . . . 0.0 113.334 -168.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -26.91 -54.95 0.08 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 129.827 3.251 . . . . 0.0 113.057 169.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.65 21.29 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.513 -1.159 . . . . 0.0 112.897 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.424 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 0.1 OUTLIER -82.41 168.54 17.39 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 119.028 1.414 . . . . 0.0 107.419 169.209 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.71 170.44 8.45 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 123.503 0.721 . . . . 0.0 112.864 -174.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.24 -37.77 81.14 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -47.12 -50.83 19.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 128.459 2.704 . . . . 0.0 111.083 168.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -88.2 -33.51 18.12 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.899 2.08 . . . . 0.0 113.102 -170.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -26.02 103.74 0.14 Allowed Pre-proline 0 N--CA 1.446 -0.67 0 C-N-CA 130.631 3.572 . . . . 0.0 114.69 -167.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 37.1 Cg_endo -86.16 -15.0 4.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.849 3.7 . . . . 0.0 111.206 171.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -66.82 -36.09 81.56 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.57 1.948 . . . . 0.0 108.954 171.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 125.591 1.556 . . . . 0.0 106.878 169.119 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -68.23 -62.68 1.29 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 110.646 174.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -98.46 166.46 11.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.697 1.199 . . . . 0.0 113.06 -169.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.68 159.05 7.06 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.423 1.889 . . . . 0.0 113.349 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.39 -38.58 7.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.294 1.838 . . . . 0.0 111.355 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -75.46 -53.92 7.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.451 1.501 . . . . 0.0 111.033 -172.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -123.61 -17.27 6.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.905 1.682 . . . . 0.0 111.252 -170.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.66 39.28 2.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.958 0.503 . . . . 0.0 111.641 169.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.67 169.58 16.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.861 0.864 . . . . 0.0 112.373 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.431 ' CG ' ' H ' ' B' ' 33' ' ' GLY . 10.7 ptmm? -14.73 -66.82 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 130.718 3.607 . . . . 0.0 115.968 172.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.431 ' H ' ' CG ' ' B' ' 32' ' ' LYS . . . -164.44 -7.3 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 114.302 -169.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.408 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 1.4 p-80 -72.45 177.07 4.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.096 1.948 . . . . 0.0 108.649 169.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.52 173.35 7.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.293 0.637 . . . . 0.0 111.729 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.95 73.41 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -45.75 -45.99 14.87 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.635 2.374 . . . . 0.0 111.907 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -103.55 -21.23 13.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.758 2.023 . . . . 0.0 113.218 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 17.1 t -38.03 120.58 1.01 Allowed Pre-proline 0 N--CA 1.446 -0.644 0 C-N-CA 126.68 1.992 . . . . 0.0 115.228 -167.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 44.0 Cg_endo -80.03 -29.03 2.84 Favored 'Trans proline' 0 N--CA 1.451 -1.02 1 C-N-CA 125.654 4.236 . . . . 0.0 112.307 177.413 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.889 1.276 . . . . 0.0 110.112 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 127.657 2.383 . . . . 0.0 111.04 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.77 -39.07 84.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.895 2.078 . . . . 0.0 112.883 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -66.25 155.11 38.07 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.157 0.435 . . . . 0.0 111.077 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.38 123.67 16.26 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.752 170.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.82 -29.59 69.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.508 -0.745 . . . . 0.0 112.824 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -82.41 -54.71 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.398 1.479 . . . . 0.0 111.788 -169.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.06 -18.23 5.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.047 1.739 . . . . 0.0 111.746 -170.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 69.73 37.51 1.85 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.913 0.885 . . . . 0.0 112.47 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -78.23 163.11 26.06 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 168.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -52.37 6.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.68 1.592 . . . . 0.0 111.575 -169.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.97 -50.87 49.79 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.205 1.383 . . . . 0.0 113.272 -169.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -101.67 -172.02 2.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.76 0.424 . . . . 0.0 110.092 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.39 171.65 13.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.425 1.09 . . . . 0.0 110.658 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.42 -21.02 66.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.652 0.66 . . . . 0.0 110.367 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -62.38 -34.5 76.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 125.274 1.43 . . . . 0.0 111.113 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -123.36 16.14 9.74 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.098 2.159 . . . . 0.0 112.91 -170.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 28.7 t -66.33 131.34 94.28 Favored Pre-proline 0 CA--C 1.536 0.442 0 O-C-N 120.779 -1.201 . . . . 0.0 111.215 -169.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.87 -20.49 10.31 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.174 3.249 . . . . 0.0 111.07 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -70.29 -31.25 68.51 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.246 1.018 . . . . 0.0 110.828 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp . . . . . 0 N--CA 1.448 -0.569 0 C-N-CA 125.006 1.322 . . . . 0.0 110.777 -171.192 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.77 -55.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.896 2.478 . . . . 0.0 108.758 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -103.72 168.67 8.99 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 126.059 1.744 . . . . 0.0 112.462 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 46.7 t -63.19 149.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.394 1.078 . . . . 0.0 111.578 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.52 -7.5 20.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.609 1.164 . . . . 0.0 113.555 -174.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -108.82 -51.6 2.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.628 1.571 . . . . 0.0 108.072 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -122.5 -16.79 7.19 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.762 2.025 . . . . 0.0 111.665 -170.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 mptt 59.57 43.54 15.8 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.124 1.37 . . . . 0.0 111.017 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.14 174.71 4.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.058 1.343 . . . . 0.0 113.672 -177.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -49.02 -62.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 127.733 2.413 . . . . 0.0 113.089 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.13 58.29 0.4 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 117.667 0.212 . . . . 0.0 113.593 -169.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -149.41 -177.75 6.03 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 168.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.67 173.3 8.62 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.656 1.182 . . . . 0.0 111.12 -174.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.78 93.79 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -44.29 -36.26 2.68 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 128.37 2.668 . . . . 0.0 112.268 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.99 9.07 9.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.645 1.578 . . . . 0.0 112.883 -169.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 49.9 t -67.79 128.32 93.43 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 119.622 1.101 . . . . 0.0 111.661 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -79.57 -25.69 5.33 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.811 3.674 . . . . 0.0 111.13 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -70.75 -37.94 73.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.078 0.551 . . . . 0.0 109.837 175.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.499 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 . . . . . 0 C--O 1.226 -0.174 0 CA-C-O 120.78 0.324 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -49.75 -36.17 24.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.794 2.038 . . . . 0.0 112.776 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -129.36 164.15 24.21 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.509 1.124 . . . . 0.0 111.465 -171.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.4 55.7 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.939 0.896 . . . . 0.0 109.726 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.04 -25.12 63.41 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -87.73 -59.37 2.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.084 1.354 . . . . 0.0 111.509 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 p -119.78 -12.34 9.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 126.217 1.807 . . . . 0.0 112.845 -168.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt 81.79 12.96 0.62 Allowed 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.068 0.947 . . . . 0.0 112.97 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.16 145.22 46.5 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.095 0.958 . . . . 0.0 109.482 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.31 -37.34 12.69 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.006 1.322 . . . . 0.0 110.471 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -26.1 9.95 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.582 1.563 . . . . 0.0 113.861 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -139.81 -162.85 1.4 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.258 1.023 . . . . 0.0 109.588 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.54 173.04 12.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.304 1.442 . . . . 0.0 110.063 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.06 -27.66 68.94 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.632 0.651 . . . . 0.0 109.74 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -49.53 -40.8 39.21 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.28 2.232 . . . . 0.0 111.46 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.42 16.49 10.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.131 2.173 . . . . 0.0 112.855 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -73.47 126.02 90.24 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 121.303 -0.873 . . . . 0.0 112.062 -169.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.1 -23.61 11.89 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.777 2.985 . . . . 0.0 110.768 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -67.0 -38.27 85.71 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttm . . . . . 0 N--CA 1.443 -0.775 0 C-N-CA 124.969 1.308 . . . . 0.0 110.133 179.385 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.73 -57.53 11.63 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.847 2.459 . . . . 0.0 113.888 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -86.21 165.78 16.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -168.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -55.91 162.02 2.01 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 124.568 1.147 . . . . 0.0 110.406 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.25 -41.25 4.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.897 1.279 . . . . 0.0 111.372 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.56 -43.85 88.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.79 1.236 . . . . 0.0 111.093 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.59 -14.48 1.45 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.765 1.626 . . . . 0.0 112.404 -172.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.21 32.77 20.96 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.866 1.266 . . . . 0.0 113.614 174.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.5 177.11 4.2 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -175.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -22.12 -81.81 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.208 1 C-N-CA 132.312 4.245 . . . . 0.0 116.203 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.12 49.48 0.6 Allowed Glycine 0 C--N 1.341 0.811 0 CA-C-N 117.893 0.315 . . . . 0.0 113.756 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -139.94 -171.77 3.25 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 167.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.26 170.57 14.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.431 1.092 . . . . 0.0 111.223 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.72 96.02 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -49.77 -25.33 2.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.524 2.329 . . . . 0.0 112.331 168.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -128.79 21.19 5.94 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.428 1.491 . . . . 0.0 111.979 -173.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 t -77.9 123.7 86.29 Favored Pre-proline 0 CA--C 1.535 0.392 0 O-C-N 120.828 -1.17 . . . . 0.0 110.452 -169.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.64 -26.42 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.208 3.272 . . . . 0.0 111.859 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -69.98 -31.38 69.05 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.188 0.995 . . . . 0.0 111.399 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm . . . . . 0 CA--C 1.537 0.466 0 C-N-CA 124.203 1.001 . . . . 0.0 110.374 -177.632 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.86 -63.65 1.19 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.962 1.305 . . . . 0.0 112.341 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -92.25 167.56 11.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.341 1.057 . . . . 0.0 113.542 -168.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 44.9 t -58.28 158.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.638 1.975 . . . . 0.0 111.694 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.34 -33.55 7.73 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.514 1.526 . . . . 0.0 111.929 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -75.27 -47.58 27.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.0 1.32 . . . . 0.0 111.981 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 p -126.63 -7.51 6.24 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 125.745 1.618 . . . . 0.0 111.24 -172.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 73.22 15.61 4.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.915 0.886 . . . . 0.0 113.272 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.52 148.45 29.17 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.703 0.801 . . . . 0.0 110.748 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.19 -38.62 17.48 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.792 1.637 . . . . 0.0 110.94 -172.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.34 -18.33 9.73 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.261 1.41 . . . . 0.0 114.575 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -151.08 -165.86 2.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.332 1.066 . . . . 0.0 108.565 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.29 165.57 24.83 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 124.268 1.027 . . . . 0.0 111.67 -176.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.46 -37.76 62.94 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.091 0.556 . . . . 0.0 111.558 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.347 1.459 . . . . 0.0 111.551 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -105.47 10.3 33.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.247 1.819 . . . . 0.0 112.227 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 t -63.18 123.1 79.21 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.161 0.891 . . . . 0.0 111.685 -169.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -82.09 -21.8 5.42 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 124.445 3.43 . . . . 0.0 111.091 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.74 -44.14 70.84 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.331 1.052 . . . . 0.0 108.693 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 N--CA 1.447 -0.578 0 C-N-CA 127.191 2.197 . . . . 0.0 110.151 -179.588 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -38.92 92.62 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.042 2.137 . . . . 0.0 114.198 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -94.04 170.91 9.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.554 1.142 . . . . 0.0 112.931 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.91 148.68 29.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.695 0.798 . . . . 0.0 110.599 174.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.17 -17.03 14.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.717 1.607 . . . . 0.0 113.0 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -88.95 -58.56 2.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.145 1.378 . . . . 0.0 110.956 -177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.15 -18.36 8.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.103 1.761 . . . . 0.0 112.374 -168.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm 68.6 28.43 5.8 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -95.76 149.23 21.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp 27.5 -94.22 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 130.931 3.692 . . . . 0.0 115.582 169.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.45 69.0 0.28 Allowed Glycine 0 C--N 1.34 0.788 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -153.29 -171.05 3.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.45 1.5 . . . . 0.0 107.657 169.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.41 168.73 15.87 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.377 1.071 . . . . 0.0 110.931 -175.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.79 93.97 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -47.37 -34.09 6.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 128.58 2.752 . . . . 0.0 112.472 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -117.85 10.66 13.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.194 1.798 . . . . 0.0 112.281 -172.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.37 123.69 88.9 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.253 -0.905 . . . . 0.0 111.855 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.23 -17.93 5.31 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.299 3.333 . . . . 0.0 112.076 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -70.58 -40.37 73.32 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? . . . . . 0 N--CA 1.441 -0.915 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 167.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 120.628 0.252 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -49.89 -32.47 14.64 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.558 1.943 . . . . 0.0 114.084 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -131.96 163.59 28.04 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.589 1.156 . . . . 0.0 112.313 -169.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 32.6 t -60.62 127.42 31.6 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 123.631 0.773 . . . . 0.0 109.806 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.06 73.09 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -78.42 -56.72 4.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.018 0.927 . . . . 0.0 111.039 -171.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.3 p -123.74 -19.79 5.66 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.51 1.524 . . . . 0.0 112.011 -169.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.51 65.49 1.44 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.239 1.018 . . . . 0.0 109.369 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -129.91 151.28 50.64 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 104.959 -2.238 . . . . 0.0 104.959 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -68.55 158.72 33.32 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.286 1.517 . . . . 0.0 113.388 -167.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.24 -37.1 3.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.672 168.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -122.96 -170.13 2.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.906 0.483 . . . . 0.0 111.329 -169.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -140.64 171.38 14.18 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.101 1.36 . . . . 0.0 109.879 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.95 -19.19 50.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -62.81 -40.72 98.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.956 0.902 . . . . 0.0 111.797 170.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -119.25 21.17 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.288 1.835 . . . . 0.0 112.145 -169.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.41 127.6 93.48 Favored Pre-proline 0 CA--C 1.539 0.521 0 O-C-N 121.159 -0.963 . . . . 0.0 111.009 -172.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.45 -31.83 2.52 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.689 2.926 . . . . 0.0 111.644 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -64.35 -32.91 74.7 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 110.251 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 tttm . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 127.577 2.351 . . . . 0.0 111.813 -176.547 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.223 -0.313 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.31 -63.28 1.44 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.905 1.282 . . . . 0.0 111.854 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -90.05 164.07 14.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.657 1.183 . . . . 0.0 112.445 -171.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.5 t -61.36 142.6 56.8 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.206 1.003 . . . . 0.0 112.079 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.03 22.71 1.65 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.6 1.56 . . . . 0.0 112.513 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -146.78 -56.73 0.26 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.884 1.274 . . . . 0.0 107.934 -169.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.83 -31.19 10.85 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 127.504 2.322 . . . . 0.0 110.828 -173.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.73 55.9 4.11 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.826 1.25 . . . . 0.0 109.021 -169.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.95 -159.42 0.38 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.545 -1.662 . . . . 0.0 112.058 -169.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -74.48 -56.54 4.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.893 1.277 . . . . 0.0 110.247 -174.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.15 51.24 0.44 Allowed Glycine 0 C--N 1.341 0.836 0 N-CA-C 114.228 0.451 . . . . 0.0 114.228 -169.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -145.76 174.4 11.25 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 167.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -131.25 167.45 19.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.596 1.158 . . . . 0.0 110.554 -169.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.76 -33.81 68.9 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.792 0.806 . . . . 0.0 110.361 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -52.4 42.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 129.388 3.075 . . . . 0.0 111.588 171.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -98.17 4.33 49.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.889 2.076 . . . . 0.0 111.776 -170.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 22.3 t -62.47 126.45 88.14 Favored Pre-proline 0 N--CA 1.443 -0.776 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -167.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.25 -32.08 2.54 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 124.033 3.155 . . . . 0.0 112.212 174.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -79.09 -23.92 43.81 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.212 1.005 . . . . 0.0 111.687 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? . . . . . 0 N--CA 1.448 -0.544 0 C-N-CA 125.233 1.413 . . . . 0.0 108.249 177.554 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.067 1 C4'-C3'-C2' 98.371 -4.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.202 1 O4'-C1'-N19 114.733 8.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 2 C5'-C4'-C3' 107.396 -4.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.791 3 O4'-C1'-N19 114.154 7.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 1 O4'-C1'-N19 111.96 5.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.089 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.29 77.1 7.06 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.181 0.993 . . . . 0.0 110.48 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.25 -33.71 65.7 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.045 0.938 . . . . 0.0 111.575 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -55.42 -45.95 76.7 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.869 0.868 . . . . 0.0 110.924 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.4 ttp-105 -81.83 70.72 8.79 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.1 p -63.35 -32.23 73.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.679 1.192 . . . . 0.0 111.671 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -146.48 -175.16 4.67 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.629 1.171 . . . . 0.0 110.066 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.4 50.91 5.64 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.683 1.593 . . . . 0.0 112.922 171.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.13 -166.62 1.07 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.285 1.034 . . . . 0.0 109.783 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -87.26 -30.89 20.57 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 124.66 1.184 . . . . 0.0 110.443 171.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.71 -56.58 17.66 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.371 1.068 . . . . 0.0 112.157 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -89.78 162.05 15.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.587 1.955 . . . . 0.0 113.385 -169.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -61.81 130.34 45.26 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.263 1.025 . . . . 0.0 110.553 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.08 79.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.918 0.887 . . . . 0.0 112.432 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -76.32 -55.12 5.85 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.376 1.47 . . . . 0.0 111.303 -169.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.7 p -130.31 -15.53 3.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.598 1.559 . . . . 0.0 112.961 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 58.94 4.95 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.091 0.86 . . . . 0.0 110.672 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -119.27 157.24 28.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.861 1.664 . . . . 0.0 108.721 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 pttt 29.85 -117.38 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 129.142 2.977 . . . . 0.0 114.891 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.36 13.57 3.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.694 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -84.91 -169.2 2.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.503 1.151 . . . . 0.0 108.564 169.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -141.85 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.098 0.559 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.87 -19.38 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -64.3 -33.11 75.07 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 112.06 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -124.19 18.63 9.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.211 1.804 . . . . 0.0 112.152 -169.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.41 127.35 91.32 Favored Pre-proline 0 CA--C 1.535 0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 110.897 -169.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -77.92 -20.79 11.46 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.809 3.672 . . . . 0.0 112.096 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -71.59 -47.21 56.28 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -62.7 134.67 95.44 Favored Pre-proline 0 N--CA 1.448 -0.527 0 C-N-CA 124.464 1.106 . . . . 0.0 108.687 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.15 71.98 6.08 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.222 2.615 . . . . 0.0 110.82 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -86.26 60.54 6.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.037 0.935 . . . . 0.0 108.92 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.16 127.13 9.87 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.5 66.19 8.81 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.641 2.894 . . . . 0.0 110.102 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -162.87 17.22 0.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.722 1.209 . . . . 0.0 111.615 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.76 82.3 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -89.53 51.82 1.41 Allowed 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 124.289 3.326 . . . . 0.0 107.642 -174.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -74.35 156.03 87.5 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.799 -169.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.95 73.03 3.14 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.571 2.847 . . . . 0.0 109.73 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -179.36 -46.92 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.925 2.09 . . . . 0.0 108.222 -169.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.25 1.088 0 C-N-CA 124.951 1.3 . . . . 0.0 109.233 179.048 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 1 C4'-C3'-C2' 98.597 -4.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 1 O4'-C1'-N19 114.907 8.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.285 1 O4'-C1'-N19 112.137 5.421 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.892 3 O4'-C1'-N19 115.181 9.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.332 0 O5'-C5'-C4' 115.747 3.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.116 0 N-CA-C 112.055 -0.418 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.53 129.3 39.52 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.446 0.698 . . . . 0.0 110.051 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -81.51 82.26 7.35 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -156.42 154.46 30.5 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 124.033 0.933 . . . . 0.0 110.193 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -89.12 78.51 7.37 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.9 p -59.54 135.08 57.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.829 0.852 . . . . 0.0 110.852 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -151.32 -154.25 0.54 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.912 1.285 . . . . 0.0 107.88 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -80.87 56.79 2.83 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.804 0.811 . . . . 0.0 110.968 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -73.06 -172.53 1.08 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.991 1.316 . . . . 0.0 110.36 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -57.29 -31.95 66.15 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.003 0.921 . . . . 0.0 110.829 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.68 -38.92 49.59 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.542 2.337 . . . . 0.0 113.872 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -143.69 179.08 7.36 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -168.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.03 159.65 19.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.555 1.542 . . . . 0.0 111.853 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.43 -34.15 5.03 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.405 1.482 . . . . 0.0 111.936 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.34 -49.98 56.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.899 1.28 . . . . 0.0 111.036 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.3 p -124.13 -16.68 6.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.409 1.884 . . . . 0.0 111.355 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mptt 59.03 39.49 23.35 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.172 0.989 . . . . 0.0 111.525 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.09 159.35 15.61 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.511 1.524 . . . . 0.0 109.207 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? 33.68 -113.84 0.06 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.968 2.507 . . . . 0.0 114.5 171.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 18.99 1.03 Allowed Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.478 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -83.41 -170.76 3.21 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 168.25 15.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 123.135 0.574 . . . . 0.0 112.313 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.11 -27.52 66.53 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -56.54 -34.56 67.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 128.834 2.853 . . . . 0.0 112.852 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -116.33 -21.69 9.18 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.708 1.603 . . . . 0.0 113.978 -168.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 t -40.42 120.74 1.65 Allowed Pre-proline 0 N--CA 1.453 -0.325 0 C-N-CA 127.502 2.321 . . . . 0.0 113.639 -167.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.39 -14.96 16.06 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 124.339 3.359 . . . . 0.0 112.52 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -69.35 -48.11 62.32 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -74.7 164.7 59.53 Favored Pre-proline 0 N--CA 1.443 -0.783 0 C-N-CA 127.67 2.388 . . . . 0.0 109.302 169.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -64.75 27.0 0.08 OUTLIER 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 124.557 3.504 . . . . 0.0 115.355 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 60.77 69.59 0.67 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.358 1.863 . . . . 0.0 112.663 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.12 163.95 39.1 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.542 0.591 . . . . 0.0 112.187 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -79.08 67.24 8.65 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 124.436 3.424 . . . . 0.0 110.009 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -81.85 -50.35 9.3 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.526 1.13 . . . . 0.0 111.104 -174.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.53 -159.65 48.47 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-O 117.338 -1.812 . . . . 0.0 111.078 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.33 0.2 OUTLIER 37.0 58.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 1 C-N-CA 126.984 5.123 . . . . 0.0 111.563 169.896 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.04 95.97 0.04 OUTLIER Pre-proline 0 N--CA 1.432 -1.335 2 CA-C-N 107.895 -4.229 . . . . 0.0 111.189 -168.118 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -83.64 69.04 6.85 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.146 2.564 . . . . 0.0 110.561 -171.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 150.27 46.95 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.117 -0.364 . . . . 0.0 110.738 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.609 -1.186 . . . . 0.0 109.159 -178.808 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.457 1 C4'-C3'-C2' 97.41 -5.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 2 O4'-C1'-N19 114.858 8.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 1 O4'-C1'-N19 111.861 5.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.371 2 O4'-C1'-N19 116.907 11.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 0 P-O3'-C3' 121.706 1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.109 0 CA-C-O 119.789 -0.45 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 63.87 -78.79 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.857 2.063 . . . . 0.0 112.015 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -110.04 28.06 8.98 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.221 1.408 . . . . 0.0 109.886 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -169.13 151.92 4.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.688 1.595 . . . . 0.0 106.961 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -67.62 165.69 16.53 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.06 0.544 . . . . 0.0 109.74 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.2 t -57.41 -49.86 74.85 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.031 0.532 . . . . 0.0 110.201 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -142.72 167.89 21.01 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.062 1.345 . . . . 0.0 108.501 173.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.46 93.07 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.781 1.632 . . . . 0.0 112.209 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -139.08 -172.95 3.45 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.922 1.289 . . . . 0.0 109.711 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -57.08 -69.44 0.16 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.915 1.686 . . . . 0.0 111.131 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.19 -44.87 33.14 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.627 2.771 . . . . 0.0 114.764 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -95.68 168.28 10.77 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.4 t -60.33 153.43 22.69 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 126.691 1.996 . . . . 0.0 111.43 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.81 8.58 26.74 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.836 1.255 . . . . 0.0 113.517 -172.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -127.93 -54.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.346 1.059 . . . . 0.0 108.358 -169.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.04 -13.48 11.87 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.239 1.816 . . . . 0.0 111.496 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm 78.23 13.35 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.941 1.296 . . . . 0.0 113.728 169.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.51 143.57 46.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.831 1.252 . . . . 0.0 110.763 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -85.76 -38.82 17.82 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.963 1.305 . . . . 0.0 110.478 -174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -19.64 14.5 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.463 1.506 . . . . 0.0 114.502 -176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -146.58 -167.11 2.66 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.453 1.126 . . . . 0.0 109.112 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.19 176.09 8.91 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.631 1.172 . . . . 0.0 111.635 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.49 87.57 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -46.15 -34.67 4.44 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.706 2.402 . . . . 0.0 112.259 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -135.35 26.21 3.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.009 1.324 . . . . 0.0 113.17 -168.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 38.4 t -79.3 124.28 84.29 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 119.731 1.151 . . . . 0.0 109.741 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.66 -24.01 10.66 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.585 2.857 . . . . 0.0 112.153 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -74.3 -42.88 58.81 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.435 1.094 . . . . 0.0 108.774 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -57.99 142.22 79.96 Favored Pre-proline 0 CA--C 1.536 0.426 0 C-N-CA 124.375 1.07 . . . . 0.0 108.131 169.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.03 84.95 1.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.062 2.508 . . . . 0.0 109.929 -174.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -62.1 114.41 3.4 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.519 1.528 . . . . 0.0 109.456 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.39 178.77 44.17 Favored Glycine 0 CA--C 1.534 1.25 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.09 158.57 25.09 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.818 3.012 . . . . 0.0 112.693 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -74.28 93.97 2.44 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.67 -159.6 36.66 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -174.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -92.37 49.37 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 124.637 3.558 . . . . 0.0 106.176 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -51.41 -54.79 35.03 Favored Pre-proline 0 N--CA 1.448 -0.564 0 C-N-CA 124.267 1.027 . . . . 0.0 113.226 -168.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.41 76.13 3.23 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.495 2.13 . . . . 0.0 109.589 171.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -80.21 71.2 6.96 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.179 0.992 . . . . 0.0 109.5 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.251 1.135 0 CA-C-O 117.146 -1.407 . . . . 0.0 109.676 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 2 O4'-C1'-N19 113.498 7.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 2 O4'-C1'-N19 116.02 10.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.362 4.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.54 4 O4'-C1'-N19 112.755 6.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 P-O3'-C3' 123.409 3.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.977 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 53.82 55.1 8.86 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.973 1.309 . . . . 0.0 110.404 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 147.74 18.39 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.226 1.01 . . . . 0.0 112.594 -176.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -76.46 -59.98 2.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -74.33 170.67 15.15 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.164 0.986 . . . . 0.0 109.296 170.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.3 p -67.69 -51.55 48.24 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.517 0.727 . . . . 0.0 110.308 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -130.6 171.32 13.18 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.451 1.5 . . . . 0.0 109.951 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 53.56 62.97 2.38 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.035 1.334 . . . . 0.0 111.276 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -147.59 -154.27 0.54 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.806 0.842 . . . . 0.0 109.507 -170.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -40.49 -75.66 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 128.259 2.623 . . . . 0.0 111.794 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.0 -52.76 62.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.858 1.663 . . . . 0.0 113.258 -173.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.35 160.66 32.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -168.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 t -67.15 120.71 14.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.369 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.97 48.28 1.44 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.768 0.827 . . . . 0.0 112.405 -174.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -158.65 -53.68 0.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -174.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -16.79 4.15 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.288 1.435 . . . . 0.0 112.83 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 58.73 46.05 14.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.352 1.061 . . . . 0.0 111.38 174.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 174.58 9.68 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 122.909 1.338 . . . . 0.0 113.209 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.297 52.9 tttp -27.32 -66.77 0.07 Allowed 'General case' 0 N--CA 1.434 -1.261 1 C-N-CA 133.772 4.829 . . . . 0.0 113.079 167.575 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.64 72.22 0.12 Allowed Glycine 0 C--N 1.339 0.741 0 C-N-CA 121.652 -0.309 . . . . 0.0 113.506 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -156.5 -158.2 0.77 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.199 1.4 . . . . 0.0 107.411 168.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.28 174.71 10.24 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.18 0.592 . . . . 0.0 112.229 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.37 -31.11 72.18 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 172.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -48.44 -47.87 37.82 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 127.671 2.388 . . . . 0.0 111.132 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -112.35 5.86 18.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.044 1.738 . . . . 0.0 113.82 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 t -63.03 124.28 83.21 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 119.573 1.079 . . . . 0.0 111.622 -168.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.43 -24.87 10.24 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 124.901 3.734 . . . . 0.0 112.196 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -75.25 -44.05 48.14 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.217 1.007 . . . . 0.0 109.228 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -61.9 146.4 91.33 Favored Pre-proline 0 N--CA 1.449 -0.516 0 C-N-CA 126.531 1.932 . . . . 0.0 109.441 173.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.67 77.15 2.27 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.32 2.68 . . . . 0.0 109.555 174.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -65.87 -50.46 64.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.21 1.404 . . . . 0.0 110.479 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.64 63.82 0.2 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.77 146.02 58.85 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.185 2.59 . . . . 0.0 110.225 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 70.62 -67.59 0.24 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.417 1.887 . . . . 0.0 111.312 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.2 178.19 15.2 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.263 1.411 . . . . 0.0 111.175 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -87.46 60.23 3.59 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 125.008 3.805 . . . . 0.0 106.739 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -63.56 155.92 73.51 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.994 -169.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -58.13 144.16 95.58 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.452 2.102 . . . . 0.0 109.317 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 78.55 -51.32 0.47 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.354 1.861 . . . . 0.0 109.581 -169.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.25 1.128 0 C-N-CA 126.714 2.006 . . . . 0.0 111.619 171.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 2 O4'-C1'-N19 115.527 9.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 2 O4'-C1'-N19 115.444 9.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.507 2 O4'-C1'-N19 113.514 7.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.453 ' C6 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 1 P--O5' 1.634 4.11 3 O4'-C1'-N19 115.988 10.235 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 109.686 2.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.154 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -93.79 -104.83 0.13 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.922 0.889 . . . . 0.0 110.773 -169.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 49.68 45.73 24.27 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.59 1.156 . . . . 0.0 110.425 -169.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -67.1 -29.28 68.99 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.997 0.919 . . . . 0.0 111.542 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -145.3 161.7 38.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.389 1.076 . . . . 0.0 109.1 171.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t 56.08 -150.56 0.43 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.037 1.335 . . . . 0.0 111.104 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.38 -73.03 0.57 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.917 1.287 . . . . 0.0 108.173 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 46.34 53.76 9.23 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.235 1.814 . . . . 0.0 113.37 169.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.43 -173.67 4.47 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.309 0.644 . . . . 0.0 111.024 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -48.84 -75.75 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.216 2.206 . . . . 0.0 111.443 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -25.17 62.26 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.08 1.752 . . . . 0.0 115.109 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.74 155.17 21.99 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.095 0.958 . . . . 0.0 112.813 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.92 140.65 58.89 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 122.96 0.504 . . . . 0.0 110.125 169.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.01 27.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.3 1.04 . . . . 0.0 112.706 -176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -150.04 -54.69 0.16 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.51 1.524 . . . . 0.0 107.977 -169.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.06 -24.11 11.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.816 2.046 . . . . 0.0 111.423 -169.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 41.39 8.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.459 1.104 . . . . 0.0 110.079 -168.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 169.45 14.38 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 122.813 1.292 . . . . 0.0 114.128 -168.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.305 79.8 tttt -27.1 -63.76 0.08 Allowed 'General case' 0 N--CA 1.434 -1.257 1 C-N-CA 133.263 4.625 . . . . 0.0 112.456 167.559 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.61 57.21 0.24 Allowed Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.474 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -148.57 176.34 10.41 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.453 ' CH2' ' C6 ' ' A' ' 4' ' ' ' DC' . 0.0 OUTLIER -129.48 173.82 10.21 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.33 1.052 . . . . 0.0 111.819 -174.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.12 91.51 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -44.55 12.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 128.05 2.54 . . . . 0.0 111.621 169.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -114.29 10.72 17.22 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.069 1.747 . . . . 0.0 112.48 -169.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 45.9 t -66.55 126.18 91.77 Favored Pre-proline 0 N--CA 1.451 -0.423 0 O-C-N 121.549 -0.719 . . . . 0.0 112.799 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -85.75 -29.79 0.53 Allowed 'Trans proline' 0 N--CA 1.449 -1.137 1 C-N-CA 125.332 4.021 . . . . 0.0 112.454 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -73.25 -25.16 60.6 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.298 0.499 . . . . 0.0 110.971 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -59.48 133.21 88.52 Favored Pre-proline 0 N--CA 1.446 -0.642 0 C-N-CA 124.901 1.28 . . . . 0.0 109.443 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -49.84 106.07 0.11 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.911 3.074 . . . . 0.0 108.886 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -155.56 67.56 0.64 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -168.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.74 -167.24 38.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -55.22 151.3 36.29 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 124.265 3.31 . . . . 0.0 112.776 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 52.0 tpt85 -152.62 -48.18 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.095 0.958 . . . . 0.0 109.887 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.56 73.43 0.25 Allowed Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -87.04 56.58 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.381 3.387 . . . . 0.0 107.327 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -65.16 124.98 88.37 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-O 118.85 -0.595 . . . . 0.0 110.276 -168.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -81.51 59.31 7.23 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.428 2.752 . . . . 0.0 109.947 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -167.0 149.4 6.21 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.035 1.334 . . . . 0.0 108.017 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.369 -1.3 . . . . 0.0 108.873 169.423 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.204 1 C4'-C3'-C2' 98.015 -5.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.182 2 O4'-C1'-N19 115.024 9.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.407 ' C4 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 0 C5'--C4' 1.537 3.267 1 O4'-C1'-N19 112.589 5.987 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.41 " C5'" ' HE ' ' B' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.628 3.469 4 O4'-C1'-N19 113.105 6.632 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 0 O5'-C5'-C4' 115.487 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.071 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -70.14 -45.98 65.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.402 0.681 . . . . 0.0 110.928 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 75.21 -57.02 0.61 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 126.977 2.111 . . . . 0.0 112.098 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 65.73 -126.24 0.31 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.07 1.748 . . . . 0.0 109.333 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 54.44 60.18 3.71 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 125.381 1.473 . . . . 0.0 111.441 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -157.5 -66.44 0.1 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.447 1.499 . . . . 0.0 107.763 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -144.61 167.57 22.22 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.49 1.516 . . . . 0.0 107.922 170.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 56.58 37.3 28.71 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.783 0.833 . . . . 0.0 110.247 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' B' ' 23' ' ' ARG . 20.3 t70 -93.14 -155.48 0.44 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.167 1.387 . . . . 0.0 112.593 -168.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.454 ' H ' ' CG ' ' B' ' 22' ' ' ASP . 9.0 mmt-85 -85.43 -35.27 21.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.502 1.521 . . . . 0.0 111.647 -169.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.2 -41.01 78.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.571 1.148 . . . . 0.0 112.032 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -107.88 154.4 21.64 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 113.415 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.29 153.92 33.31 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.463 1.105 . . . . 0.0 110.126 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.1 46.09 0.95 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.231 1.013 . . . . 0.0 111.543 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -166.23 -48.49 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -172.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 36.4 m -105.85 -27.38 11.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.224 2.21 . . . . 0.0 109.531 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 65.08 23.77 12.45 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 110.024 -171.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.25 138.43 33.87 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.147 2.579 . . . . 0.0 108.699 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -87.25 -34.65 18.87 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.777 1.231 . . . . 0.0 110.484 -171.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.14 -26.88 2.37 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.294 1.902 . . . . 0.0 113.948 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.413 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 8.9 p-80 -146.02 -168.97 3.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.249 1.025 . . . . 0.0 109.743 172.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.407 ' CH2' ' C4 ' ' A' ' 3' ' ' ' DG' . 0.1 OUTLIER -136.67 166.61 23.16 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 124.751 1.22 . . . . 0.0 109.941 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.32 -29.6 64.08 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -52.02 -52.41 50.96 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 124.355 1.062 . . . . 0.0 111.923 172.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.81 -32.08 18.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 127.206 2.203 . . . . 0.0 112.053 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 50.7 t -27.23 112.0 0.23 Allowed Pre-proline 0 N--CA 1.445 -0.679 0 C-N-CA 128.637 2.775 . . . . 0.0 115.29 -168.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 76.7 Cg_endo -71.9 -25.37 19.97 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 124.41 3.407 . . . . 0.0 112.546 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -80.4 -18.88 47.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.487 0.585 . . . . 0.0 111.57 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -68.11 143.25 95.85 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.291 1.036 . . . . 0.0 109.546 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.29 131.34 12.75 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.033 2.489 . . . . 0.0 109.05 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -137.4 160.71 38.31 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.079 1.352 . . . . 0.0 109.197 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.54 162.92 53.41 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.88 160.51 49.17 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.667 2.912 . . . . 0.0 111.196 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -80.9 73.1 7.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.652 0.781 . . . . 0.0 109.334 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.28 -178.77 19.3 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.472 1.511 . . . . 0.0 109.525 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -88.27 50.05 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 124.248 3.298 . . . . 0.0 107.499 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.88 151.72 84.44 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.556 -168.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.22 150.77 24.18 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.394 2.729 . . . . 0.0 112.676 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.3 -39.97 94.98 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.45 0.7 . . . . 0.0 110.223 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.084 1.354 . . . . 0.0 108.63 176.315 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.323 1 C4'-C3'-C2' 97.857 -5.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.252 1 O4'-C1'-N19 114.013 7.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.022 2 C5'-C4'-C3' 108.399 -4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 4 O4'-C1'-N19 112.776 6.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 0 P-O3'-C3' 122.903 2.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 CA-C-O 119.715 -0.492 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 67.31 99.45 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.807 1.643 . . . . 0.0 111.329 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -66.85 -58.44 5.02 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.268 0.627 . . . . 0.0 110.348 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 56.1 -120.51 1.5 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.819 1.247 . . . . 0.0 109.927 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -139.94 167.95 20.93 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.82 1.648 . . . . 0.0 107.861 172.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 42.2 p -78.41 61.86 2.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.529 1.132 . . . . 0.0 111.036 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.84 174.0 11.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.633 1.173 . . . . 0.0 110.178 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.56 82.44 1.73 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 171.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -72.14 -176.25 1.73 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.199 1.4 . . . . 0.0 111.938 -169.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -54.25 -52.07 62.53 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.823 1.249 . . . . 0.0 109.075 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.98 -57.25 11.35 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.472 2.309 . . . . 0.0 115.256 -176.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.45 165.78 13.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -167.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.81 135.78 57.52 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.282 1.033 . . . . 0.0 112.315 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.49 46.22 1.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.781 1.632 . . . . 0.0 112.475 178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -168.85 -51.67 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -172.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.9 m -113.12 -28.99 7.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.346 1.858 . . . . 0.0 110.487 -170.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 56.02 3.14 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 125.756 1.623 . . . . 0.0 109.382 -169.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -94.73 167.16 11.62 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.342 1.857 . . . . 0.0 111.035 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -34.52 -56.79 0.52 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 128.978 2.911 . . . . 0.0 113.867 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.44 56.03 0.29 Allowed Glycine 0 C--N 1.341 0.809 0 C-N-CA 121.108 -0.568 . . . . 0.0 114.506 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -148.28 169.21 20.6 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 166.54 18.48 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.897 0.879 . . . . 0.0 110.881 -175.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.33 -15.58 26.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -64.8 -59.32 4.36 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.66 0.664 . . . . 0.0 110.285 169.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.57 -27.96 41.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.97 1.708 . . . . 0.0 112.875 -172.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -34.83 126.76 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.377 0 C-N-CA 128.384 2.674 . . . . 0.0 115.302 -168.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.5 -31.67 2.56 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.98 3.12 . . . . 0.0 110.957 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.97 -14.13 60.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.697 0.799 . . . . 0.0 112.191 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -59.87 127.67 85.76 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.926 . . . . 0.0 109.69 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.0 123.75 12.06 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.847 2.365 . . . . 0.0 109.925 -176.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 42.55 41.84 2.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.486 1.915 . . . . 0.0 113.03 -174.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.8 -96.8 0.46 Allowed Glycine 0 CA--C 1.532 1.097 0 CA-C-O 119.097 -0.835 . . . . 0.0 111.667 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -73.78 153.1 48.05 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.668 2.912 . . . . 0.0 111.308 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -52.78 127.23 22.63 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.439 1.095 . . . . 0.0 110.931 -177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.99 -160.08 24.86 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -85.47 58.7 4.88 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 124.456 3.438 . . . . 0.0 106.843 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -68.97 152.58 96.75 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.923 -168.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.08 -48.96 19.02 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.894 3.062 . . . . 0.0 112.646 169.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 62.08 177.45 0.13 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.513 1.525 . . . . 0.0 111.846 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.16 -1.4 . . . . 0.0 108.379 -176.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.522 1 C4'-C3'-C2' 97.378 -5.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.416 ' C5 ' ' C2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.41 -3.318 1 O4'-C1'-N19 114.555 8.444 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.416 ' C2 ' ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.595 2 O4'-C1'-N19 111.243 4.304 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.818 4 O4'-C1'-N19 114.371 8.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 P-O3'-C3' 123.431 3.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 N-CA-C 112.006 -0.438 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.39 154.7 41.61 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.35 0.66 . . . . 0.0 109.988 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.86 166.35 7.43 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.113 0.965 . . . . 0.0 110.425 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -59.85 148.11 35.92 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.487 0.315 . . . . 0.0 110.875 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -105.41 177.05 4.96 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.433 1.093 . . . . 0.0 108.511 170.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -76.14 70.72 2.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.04 0.936 . . . . 0.0 109.792 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -158.88 -173.14 4.1 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.988 0.915 . . . . 0.0 110.764 -173.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -60.15 3.53 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.043 1.737 . . . . 0.0 113.012 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 57.41 -150.94 0.43 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.517 1.527 . . . . 0.0 110.46 -172.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -87.21 -35.13 18.72 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 123.692 0.797 . . . . 0.0 111.674 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.33 -56.84 13.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.158 1.383 . . . . 0.0 112.884 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -101.47 168.0 9.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.908 0.883 . . . . 0.0 113.364 -168.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 39.9 t -60.1 131.04 49.59 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 123.901 0.88 . . . . 0.0 111.618 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.63 48.47 0.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.876 1.67 . . . . 0.0 112.202 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -169.91 -53.21 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -170.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.2 m -119.47 -27.6 5.52 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 125.676 1.591 . . . . 0.0 111.183 -169.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.69 55.45 2.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 126.484 1.914 . . . . 0.0 110.831 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.04 165.82 17.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.289 1.435 . . . . 0.0 110.265 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -35.74 -57.55 0.65 Allowed 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 128.343 2.657 . . . . 0.0 113.943 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 50.65 0.5 Allowed Glycine 0 C--N 1.341 0.853 0 CA-C-O 119.482 -0.621 . . . . 0.0 114.486 -169.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -145.61 169.63 18.05 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 167.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.68 166.71 21.99 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.887 0.875 . . . . 0.0 111.318 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.08 -13.85 30.55 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.913 0.779 . . . . 0.0 112.517 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.33 -59.16 3.96 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.976 0.91 . . . . 0.0 109.93 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -23.98 37.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.893 2.077 . . . . 0.0 113.716 -169.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 18.8 t -31.64 113.66 0.35 Allowed Pre-proline 0 N--CA 1.448 -0.543 0 C-N-CA 127.954 2.502 . . . . 0.0 115.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.25 -24.11 1.72 Allowed 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 124.076 3.184 . . . . 0.0 111.518 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -66.03 -45.51 81.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.799 1.24 . . . . 0.0 108.192 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -68.73 153.93 95.31 Favored Pre-proline 0 N--CA 1.446 -0.671 0 C-N-CA 128.105 2.562 . . . . 0.0 109.088 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.17 65.25 8.91 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.942 2.428 . . . . 0.0 109.139 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -155.55 50.6 0.56 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.885 1.674 . . . . 0.0 107.944 -174.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.97 -80.31 0.05 OUTLIER Glycine 0 CA--C 1.529 0.912 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -76.59 67.66 7.16 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 124.12 3.213 . . . . 0.0 109.367 174.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -155.17 98.38 2.0 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -172.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.7 58.15 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 108.637 -1.785 . . . . 0.0 108.637 -171.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.32 0.1 OUTLIER 32.58 55.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.996 1 C-N-CA 128.055 5.837 . . . . 0.0 110.535 -174.913 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 39.14 99.36 0.03 OUTLIER Pre-proline 0 N--CA 1.43 -1.444 2 C-N-CA 132.189 4.195 . . . . 0.0 112.484 -168.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -82.94 56.73 5.73 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.555 2.837 . . . . 0.0 109.638 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 49.51 73.43 0.24 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.157 1.783 . . . . 0.0 111.406 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.55 -1.214 . . . . 0.0 107.748 173.343 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.259 1 C4'-C3'-C2' 98.153 -5.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.143 1 O4'-C1'-N19 114.26 8.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.401 ' C4 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 0 C5'--C4' 1.54 3.641 1 C5'-C4'-C3' 107.204 -4.998 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.542 4 O4'-C1'-N19 114.527 8.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.12 0 C4'-C3'-C2' 100.408 -2.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 111.984 -0.447 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 62.32 -98.47 0.07 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.449 1.499 . . . . 0.0 111.112 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 60.55 -81.3 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.775 2.03 . . . . 0.0 111.698 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -89.32 -45.75 9.27 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.302 1.041 . . . . 0.0 109.81 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -94.99 87.28 4.88 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.543 0.737 . . . . 0.0 111.487 -169.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t -95.99 -96.08 0.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 169.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -147.23 156.83 43.29 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.869 1.267 . . . . 0.0 107.599 169.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 39.48 51.44 2.21 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.024 1.73 . . . . 0.0 112.123 -177.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -87.17 -178.29 6.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.312 1.045 . . . . 0.0 111.223 -169.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -72.27 -23.92 61.27 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.222 169.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.19 -56.23 12.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.478 0.711 . . . . 0.0 111.294 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -82.27 151.87 26.59 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.138 1.375 . . . . 0.0 114.329 -168.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.48 134.72 57.19 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.47 75.06 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -86.82 -53.84 4.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.032 2.133 . . . . 0.0 111.16 -171.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.52 -35.91 7.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.409 1.884 . . . . 0.0 110.761 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.0 47.53 19.65 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.099 0.874 . . . . 0.0 109.623 -168.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -82.3 171.54 14.12 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.563 1.145 . . . . 0.0 110.293 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.402 ' CG ' ' H ' ' B' ' 33' ' ' GLY . 22.0 pttm -12.92 -61.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.194 0 C-N-CA 130.629 3.572 . . . . 0.0 115.459 174.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.402 ' H ' ' CG ' ' B' ' 32' ' ' LYS . . . -172.21 -0.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.44 -173.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -75.79 168.86 19.25 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 120.179 1.99 . . . . 0.0 108.488 169.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.401 ' CH2' ' C4 ' ' A' ' 3' ' ' ' DG' . 0.0 OUTLIER -125.67 170.19 11.78 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 124.039 0.936 . . . . 0.0 111.492 -176.549 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.84 -28.23 61.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.39 0.541 . . . . 0.0 111.124 175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -68.01 -42.56 80.5 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.458 0.703 . . . . 0.0 112.797 172.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -100.16 22.7 11.01 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.732 1.213 . . . . 0.0 110.397 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.63 120.95 84.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 O-C-N 121.596 -0.69 . . . . 0.0 111.533 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -83.18 -28.67 1.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 124.595 3.53 . . . . 0.0 112.532 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.28 72.59 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.635 0.774 . . . . 0.0 109.639 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -65.18 163.86 27.82 Favored Pre-proline 0 N--CA 1.438 -1.035 0 C-N-CA 125.722 1.609 . . . . 0.0 109.902 171.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -43.18 -44.95 9.83 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 124.806 3.67 . . . . 0.0 114.327 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 72.4 -67.9 0.24 Allowed 'General case' 0 C--N 1.343 0.302 0 C-N-CA 126.719 2.008 . . . . 0.0 109.852 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.32 -163.05 23.64 Favored Glycine 0 CA--C 1.533 1.156 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 170.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -78.17 68.48 7.87 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.763 2.975 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -79.07 126.01 30.15 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.438 1.095 . . . . 0.0 109.157 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.19 -179.61 48.46 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -95.2 44.33 0.17 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 124.972 3.782 . . . . 0.0 106.613 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -62.55 -41.94 76.33 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-O 117.831 -1.081 . . . . 0.0 113.457 -168.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.16 123.14 13.13 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.686 2.257 . . . . 0.0 111.332 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -82.89 65.81 8.2 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.808 0.843 . . . . 0.0 109.353 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.664 -178.683 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 C4'-C3'-C2' 98.671 -4.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.935 1 O4'-C1'-N19 114.401 8.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 1 O4'-C1'-N19 111.82 5.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.312 4 O4'-C1'-N19 113.215 6.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 0 P-O3'-C3' 122.854 2.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -77.56 82.73 3.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.695 0.798 . . . . 0.0 110.297 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -80.08 57.15 2.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.516 0.726 . . . . 0.0 109.271 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -71.84 -56.32 5.95 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.497 1.119 . . . . 0.0 107.997 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -81.63 81.24 7.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 168.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -74.85 -94.46 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -150.57 157.95 43.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.909 1.684 . . . . 0.0 106.599 169.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 42.82 46.87 4.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.248 1.419 . . . . 0.0 112.211 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.87 -171.0 3.13 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.151 0.581 . . . . 0.0 110.397 -172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -59.71 -57.35 13.29 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.306 1.043 . . . . 0.0 109.268 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.97 -46.98 84.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.056 2.142 . . . . 0.0 114.253 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -70.5 156.15 39.76 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -169.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.66 123.41 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 169.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.35 -35.14 79.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.278 0.631 . . . . 0.0 112.504 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -75.83 -50.92 13.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.808 1.643 . . . . 0.0 111.598 -169.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 11.9 p -137.87 -3.84 1.8 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.657 1.183 . . . . 0.0 113.167 -169.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 55.5 3.4 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.583 1.553 . . . . 0.0 112.659 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.31 -145.46 0.08 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.437 1.495 . . . . 0.0 111.858 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -82.52 -66.53 0.88 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.814 1.646 . . . . 0.0 111.741 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.88 58.63 0.43 Allowed Glycine 0 C--N 1.342 0.875 0 CA-C-O 120.266 -0.186 . . . . 0.0 112.924 -169.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -151.11 -174.19 4.73 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 168.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.14 168.05 20.11 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.429 0.692 . . . . 0.0 111.347 -176.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.77 -35.88 66.74 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 118.311 0.505 . . . . 0.0 111.524 -177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -51.58 -49.56 61.85 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.229 1.012 . . . . 0.0 111.847 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -98.68 5.73 47.48 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.028 1.731 . . . . 0.0 112.108 -169.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.99 123.24 68.1 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 118.329 0.513 . . . . 0.0 111.989 -168.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.72 -27.48 3.98 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 125.011 3.807 . . . . 0.0 112.572 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -71.29 -43.12 67.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.554 2.342 . . . . 0.0 109.569 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -55.25 145.0 48.58 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 126.837 2.055 . . . . 0.0 109.403 172.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.26 -27.48 1.17 Allowed 'Trans proline' 0 CA--C 1.535 0.536 1 C-N-CA 125.725 4.283 . . . . 0.0 116.713 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 78.15 -56.32 0.48 Allowed 'General case' 0 C--N 1.342 0.267 0 C-N-CA 126.64 1.976 . . . . 0.0 111.221 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.42 64.52 2.6 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.217 0.913 . . . . 0.0 110.863 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -70.12 -42.33 3.12 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.266 2.644 . . . . 0.0 111.423 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 61.33 84.89 0.13 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.273 1.429 . . . . 0.0 112.038 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.71 173.56 43.28 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -97.91 51.84 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.018 1 C-N-CA 125.326 4.017 . . . . 0.0 106.207 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -65.75 144.7 98.96 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.438 -168.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -68.61 -39.23 9.42 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.913 2.409 . . . . 0.0 109.885 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -80.83 179.25 7.91 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.547 1.139 . . . . 0.0 110.138 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 C--O 1.251 1.14 0 CA-C-O 116.603 -1.665 . . . . 0.0 111.707 178.048 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.219 2 O4'-C1'-N19 112.974 6.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.43 2 O4'-C1'-N19 114.519 8.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.936 2 O4'-C1'-N19 114.569 8.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.477 ' C6 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 1 P--O5' 1.635 4.202 5 O4'-C1'-N19 116.665 11.081 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.927 0 C4'-C3'-C2' 101.344 -1.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.135 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -66.35 154.06 41.05 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.476 0.71 . . . . 0.0 110.624 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 76.31 -55.3 0.59 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 127.155 2.182 . . . . 0.0 111.213 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -76.18 69.85 2.77 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.383 1.073 . . . . 0.0 109.762 172.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 39.6 mtm105 -140.98 -179.69 6.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.472 1.909 . . . . 0.0 108.663 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.7 t -65.36 124.71 22.96 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 168.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -71.88 176.1 5.26 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.01 0.524 . . . . 0.0 111.441 -172.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 pp 32.62 84.37 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.264 2.626 . . . . 0.0 113.332 -174.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -65.87 -174.26 0.22 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.77 0.795 . . . . 0.0 110.411 170.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -48.43 -75.73 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.227 1.811 . . . . 0.0 111.601 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.93 -15.89 62.65 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -70.66 158.98 35.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.001 1.273 . . . . 0.0 112.745 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 t -73.64 143.04 46.46 Favored 'General case' 0 C--N 1.346 0.413 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.0 29.69 1.02 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.71 1.204 . . . . 0.0 112.174 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -152.38 -55.48 0.13 Allowed 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.76 0.824 . . . . 0.0 108.951 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.55 -19.15 13.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 125.048 1.339 . . . . 0.0 111.163 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt 62.93 39.13 10.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.154 0.982 . . . . 0.0 108.457 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 171.92 9.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.253 1.421 . . . . 0.0 113.334 -168.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -26.91 -54.95 0.08 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 129.827 3.251 . . . . 0.0 113.057 169.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.65 21.29 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.513 -1.159 . . . . 0.0 112.897 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.424 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 0.1 OUTLIER -82.41 168.54 17.39 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 119.028 1.414 . . . . 0.0 107.419 169.209 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.477 ' CH2' ' C6 ' ' A' ' 4' ' ' ' DC' . 0.0 OUTLIER -115.71 170.44 8.45 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 123.503 0.721 . . . . 0.0 112.864 -174.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.24 -37.77 81.14 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -47.12 -50.83 19.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 128.459 2.704 . . . . 0.0 111.083 168.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -88.2 -33.51 18.12 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.899 2.08 . . . . 0.0 113.102 -170.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -26.02 103.74 0.14 Allowed Pre-proline 0 N--CA 1.446 -0.67 0 C-N-CA 130.631 3.572 . . . . 0.0 114.69 -167.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 37.1 Cg_endo -86.16 -15.0 4.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.849 3.7 . . . . 0.0 111.206 171.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -66.82 -36.09 81.56 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.57 1.948 . . . . 0.0 108.954 171.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -70.24 144.76 92.68 Favored Pre-proline 0 CA--C 1.538 0.482 0 C-N-CA 125.591 1.556 . . . . 0.0 106.878 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -72.8 -33.53 7.9 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.77 2.313 . . . . 0.0 111.639 -176.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 76.89 -58.38 0.51 Allowed 'General case' 0 C--N 1.341 0.209 0 C-N-CA 127.225 2.21 . . . . 0.0 111.426 175.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.48 67.11 2.03 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.16 -40.26 11.74 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 123.362 2.708 . . . . 0.0 111.427 -177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -153.54 102.32 2.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.95 74.55 0.22 Allowed Glycine 0 CA--C 1.528 0.859 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -86.63 56.54 3.53 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 124.283 3.322 . . . . 0.0 107.378 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.8 tpt85 -59.45 -42.95 95.07 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 117.779 -1.105 . . . . 0.0 113.438 -168.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.19 110.95 0.67 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.964 2.442 . . . . 0.0 111.26 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 54.77 54.39 9.2 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.804 1.242 . . . . 0.0 110.827 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.405 175.08 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 1 C4'-C3'-C2' 98.408 -4.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.114 1 O4'-C1'-N19 113.765 7.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.435 2 C5'-C4'-C3' 108.126 -4.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.96 2 O4'-C1'-N19 116.253 10.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 O4'-C1'-N19 109.153 1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -155.57 135.69 12.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.252 1.021 . . . . 0.0 108.341 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -82.71 57.7 3.91 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.006 0.922 . . . . 0.0 110.288 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -170.92 -70.4 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.56 1.544 . . . . 0.0 107.372 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -173.74 146.49 1.27 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.014 1.725 . . . . 0.0 106.934 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -59.49 109.75 0.96 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.395 0.678 . . . . 0.0 109.728 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -69.32 172.95 6.29 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.683 0.754 . . . . 0.0 112.991 -174.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.32 38.83 25.96 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.554 1.542 . . . . 0.0 112.135 176.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -78.36 -174.78 3.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.82 1.248 . . . . 0.0 110.115 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -80.09 -23.67 41.12 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 123.662 0.785 . . . . 0.0 110.046 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -68.23 -62.68 1.29 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 110.646 174.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -98.46 166.46 11.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.697 1.199 . . . . 0.0 113.06 -169.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.68 159.05 7.06 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.423 1.889 . . . . 0.0 113.349 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.39 -38.58 7.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.294 1.838 . . . . 0.0 111.355 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -75.46 -53.92 7.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.451 1.501 . . . . 0.0 111.033 -172.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -123.61 -17.27 6.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.905 1.682 . . . . 0.0 111.252 -170.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.66 39.28 2.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.958 0.503 . . . . 0.0 111.641 169.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.67 169.58 16.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.861 0.864 . . . . 0.0 112.373 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.431 ' CG ' ' H ' ' B' ' 33' ' ' GLY . 10.7 ptmm? -14.73 -66.82 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 130.718 3.607 . . . . 0.0 115.968 172.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.431 ' H ' ' CG ' ' B' ' 32' ' ' LYS . . . -164.44 -7.3 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 114.302 -169.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.408 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 1.4 p-80 -72.45 177.07 4.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.096 1.948 . . . . 0.0 108.649 169.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.52 173.35 7.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.293 0.637 . . . . 0.0 111.729 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.95 73.41 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -45.75 -45.99 14.87 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.635 2.374 . . . . 0.0 111.907 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -103.55 -21.23 13.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.758 2.023 . . . . 0.0 113.218 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 17.1 t -38.03 120.58 1.01 Allowed Pre-proline 0 N--CA 1.446 -0.644 0 C-N-CA 126.68 1.992 . . . . 0.0 115.228 -167.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 44.0 Cg_endo -80.03 -29.03 2.84 Favored 'Trans proline' 0 N--CA 1.451 -1.02 1 C-N-CA 125.654 4.236 . . . . 0.0 112.307 177.413 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.889 1.276 . . . . 0.0 110.112 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.04 149.14 9.78 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 127.657 2.383 . . . . 0.0 111.04 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -49.06 -36.22 34.83 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 124.527 3.485 . . . . 0.0 113.979 170.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 75.76 -55.39 0.61 Allowed 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.009 2.124 . . . . 0.0 111.592 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.46 76.18 0.89 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -54.48 -50.63 12.78 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 123.947 3.098 . . . . 0.0 112.582 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 66.52 -74.09 0.07 Allowed 'General case' 0 C--N 1.342 0.25 0 C-N-CA 126.746 2.019 . . . . 0.0 112.391 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.18 -169.62 16.28 Favored Glycine 0 CA--C 1.532 1.126 0 N-CA-C 108.23 -1.948 . . . . 0.0 108.23 -169.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -87.85 48.14 1.5 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 124.136 3.224 . . . . 0.0 107.674 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.89 140.18 70.39 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-O 119.046 -0.502 . . . . 0.0 110.706 -169.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.5 -42.5 2.6 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.73 2.286 . . . . 0.0 109.312 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -77.88 -175.57 4.05 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.976 1.31 . . . . 0.0 110.644 172.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.966 172.597 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.091 2 O4'-C1'-N19 111.838 5.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.191 1 O4'-C1'-N19 114.703 8.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 2 C5'-C4'-C3' 107.409 -4.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.308 4 O4'-C1'-N19 113.254 6.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 P-O3'-C3' 122.893 2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -82.57 82.24 8.05 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.32 0.648 . . . . 0.0 111.34 -169.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 57.34 -156.48 0.31 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.865 1.266 . . . . 0.0 111.229 169.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -61.71 124.88 21.95 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 169.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.62 88.19 0.11 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.881 1.272 . . . . 0.0 110.491 -173.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.4 t -67.02 -50.18 62.9 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.527 0.731 . . . . 0.0 109.703 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -152.07 -82.66 0.09 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.05 61.62 6.89 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.658 1.183 . . . . 0.0 108.022 169.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t70 76.34 -170.0 0.08 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.973 2.109 . . . . 0.0 110.247 -169.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -127.05 -61.79 1.15 Allowed 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 127.46 2.304 . . . . 0.0 106.778 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.77 -39.07 84.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.895 2.078 . . . . 0.0 112.883 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -66.25 155.11 38.07 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.157 0.435 . . . . 0.0 111.077 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.38 123.67 16.26 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.752 170.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.82 -29.59 69.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.508 -0.745 . . . . 0.0 112.824 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -82.41 -54.71 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.398 1.479 . . . . 0.0 111.788 -169.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.06 -18.23 5.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.047 1.739 . . . . 0.0 111.746 -170.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 69.73 37.51 1.85 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.913 0.885 . . . . 0.0 112.47 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -78.23 163.11 26.06 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 168.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -52.37 6.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.68 1.592 . . . . 0.0 111.575 -169.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.97 -50.87 49.79 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.205 1.383 . . . . 0.0 113.272 -169.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -101.67 -172.02 2.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.76 0.424 . . . . 0.0 110.092 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.39 171.65 13.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.425 1.09 . . . . 0.0 110.658 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.42 -21.02 66.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.652 0.66 . . . . 0.0 110.367 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -62.38 -34.5 76.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 125.274 1.43 . . . . 0.0 111.113 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -123.36 16.14 9.74 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.098 2.159 . . . . 0.0 112.91 -170.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 28.7 t -66.33 131.34 94.28 Favored Pre-proline 0 CA--C 1.536 0.442 0 O-C-N 120.779 -1.201 . . . . 0.0 111.215 -169.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.87 -20.49 10.31 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.174 3.249 . . . . 0.0 111.07 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -70.29 -31.25 68.51 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.246 1.018 . . . . 0.0 110.828 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -67.22 150.96 97.61 Favored Pre-proline 0 N--CA 1.448 -0.569 0 C-N-CA 125.006 1.322 . . . . 0.0 110.777 -171.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -44.02 126.35 6.07 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 124.462 3.441 . . . . 0.0 111.364 169.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -158.28 155.11 28.28 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.07 0.948 . . . . 0.0 109.618 -169.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.77 -179.8 47.57 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.83 148.66 65.1 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.672 2.915 . . . . 0.0 110.258 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.72 78.87 7.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.63 176.15 27.12 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.222 1.391 . . . . 0.0 110.3 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.36 55.91 2.99 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 124.445 3.43 . . . . 0.0 107.109 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -71.03 139.96 85.57 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -168.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.29 156.42 54.97 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.132 2.555 . . . . 0.0 110.489 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -153.18 79.96 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.163 -1.399 . . . . 0.0 108.645 -178.001 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.23 1 C4'-C3'-C2' 97.636 -5.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 2 O4'-C1'-N19 114.476 8.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.477 4.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.057 4 O4'-C1'-N19 114.654 8.567 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 P-O3'-C3' 123.745 3.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.092 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -52.53 8.0 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.431 1.892 . . . . 0.0 112.183 169.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -169.66 -42.52 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.731 1.613 . . . . 0.0 108.868 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -162.49 143.71 10.29 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.816 0.846 . . . . 0.0 110.277 169.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 90.16 49.41 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 127.758 2.423 . . . . 0.0 111.915 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t -173.02 161.82 4.48 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 127.503 2.321 . . . . 0.0 107.604 169.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -65.88 171.31 4.5 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 45.86 52.89 9.41 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.114 1.765 . . . . 0.0 111.212 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.2 164.25 19.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -168.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -77.37 72.09 3.89 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 127.816 2.447 . . . . 0.0 107.33 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.77 -55.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.896 2.478 . . . . 0.0 108.758 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -103.72 168.67 8.99 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 126.059 1.744 . . . . 0.0 112.462 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 46.7 t -63.19 149.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.394 1.078 . . . . 0.0 111.578 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.52 -7.5 20.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.609 1.164 . . . . 0.0 113.555 -174.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -108.82 -51.6 2.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.628 1.571 . . . . 0.0 108.072 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -122.5 -16.79 7.19 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.762 2.025 . . . . 0.0 111.665 -170.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 mptt 59.57 43.54 15.8 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.124 1.37 . . . . 0.0 111.017 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.14 174.71 4.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.058 1.343 . . . . 0.0 113.672 -177.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -49.02 -62.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 127.733 2.413 . . . . 0.0 113.089 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.13 58.29 0.4 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 117.667 0.212 . . . . 0.0 113.593 -169.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -149.41 -177.75 6.03 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 168.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.67 173.3 8.62 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.656 1.182 . . . . 0.0 111.12 -174.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.78 93.79 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -44.29 -36.26 2.68 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 128.37 2.668 . . . . 0.0 112.268 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.99 9.07 9.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.645 1.578 . . . . 0.0 112.883 -169.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 49.9 t -67.79 128.32 93.43 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 119.622 1.101 . . . . 0.0 111.661 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -79.57 -25.69 5.33 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.811 3.674 . . . . 0.0 111.13 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -70.75 -37.94 73.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.078 0.551 . . . . 0.0 109.837 175.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -65.88 135.02 95.23 Favored Pre-proline 0 N--CA 1.45 -0.438 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.52 87.99 0.77 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.128 2.552 . . . . 0.0 111.064 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -78.41 68.3 4.38 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.727 1.211 . . . . 0.0 109.158 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.62 -176.72 49.49 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.709 0.671 . . . . 0.0 111.718 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.57 107.38 1.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.86 3.04 . . . . 0.0 109.801 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 70.22 -72.6 0.11 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.992 2.117 . . . . 0.0 110.894 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.57 -159.88 34.79 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -93.47 40.85 0.23 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 124.447 3.431 . . . . 0.0 106.442 171.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -72.72 131.75 83.94 Favored Pre-proline 0 N--CA 1.445 -0.719 0 C-N-CA 123.184 0.593 . . . . 0.0 110.579 -167.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.2 -45.71 2.65 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.752 2.301 . . . . 0.0 110.315 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 56.39 47.4 19.05 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.241 1.416 . . . . 0.0 110.99 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.252 1.23 0 CA-C-O 117.154 -1.403 . . . . 0.0 108.357 178.787 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 2 O4'-C1'-N19 111.528 4.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.281 1 O4'-C1'-N19 114.463 8.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 1 C5'-C4'-C3' 108.101 -4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 4 O4'-C1'-N19 113.12 6.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 1 O5'-C5'-C4' 116.283 4.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -155.53 148.72 24.69 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.256 1.022 . . . . 0.0 108.392 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -74.99 71.01 2.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.371 1.068 . . . . 0.0 108.97 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -153.56 82.04 1.17 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.2 1.0 . . . . 0.0 108.826 -168.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -156.94 133.08 9.7 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.104 0.962 . . . . 0.0 108.723 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.5 t -160.36 -65.81 0.07 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.087 0.955 . . . . 0.0 109.173 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -84.34 179.25 7.49 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.042 0.937 . . . . 0.0 111.458 -174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.02 67.82 0.83 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 127.057 2.143 . . . . 0.0 112.741 174.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -132.9 -154.25 0.6 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.021 1.329 . . . . 0.0 109.304 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -70.62 -37.18 73.8 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 123.476 0.71 . . . . 0.0 111.052 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -49.75 -36.17 24.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.794 2.038 . . . . 0.0 112.776 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -129.36 164.15 24.21 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.509 1.124 . . . . 0.0 111.465 -171.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.4 55.7 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.939 0.896 . . . . 0.0 109.726 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.04 -25.12 63.41 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -87.73 -59.37 2.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.084 1.354 . . . . 0.0 111.509 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 p -119.78 -12.34 9.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 126.217 1.807 . . . . 0.0 112.845 -168.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt 81.79 12.96 0.62 Allowed 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.068 0.947 . . . . 0.0 112.97 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.16 145.22 46.5 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.095 0.958 . . . . 0.0 109.482 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.31 -37.34 12.69 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.006 1.322 . . . . 0.0 110.471 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -26.1 9.95 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.582 1.563 . . . . 0.0 113.861 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -139.81 -162.85 1.4 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.258 1.023 . . . . 0.0 109.588 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.54 173.04 12.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.304 1.442 . . . . 0.0 110.063 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.06 -27.66 68.94 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.632 0.651 . . . . 0.0 109.74 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -49.53 -40.8 39.21 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.28 2.232 . . . . 0.0 111.46 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.42 16.49 10.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.131 2.173 . . . . 0.0 112.855 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -73.47 126.02 90.24 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 121.303 -0.873 . . . . 0.0 112.062 -169.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.1 -23.61 11.89 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.777 2.985 . . . . 0.0 110.768 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -67.0 -38.27 85.71 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -71.3 138.9 84.21 Favored Pre-proline 0 N--CA 1.443 -0.775 0 C-N-CA 124.969 1.308 . . . . 0.0 110.133 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.46 110.68 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 124.351 3.367 . . . . 0.0 110.451 169.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 53.72 55.13 8.89 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.721 1.208 . . . . 0.0 111.338 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.32 -71.27 1.11 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -67.9 111.5 2.43 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.841 2.361 . . . . 0.0 108.538 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 66.08 106.76 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.079 1.752 . . . . 0.0 110.896 -170.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.71 176.64 19.98 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.511 1.053 . . . . 0.0 111.943 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.316 0.2 OUTLIER 29.61 55.35 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 1 C-N-CA 128.599 6.199 . . . . 0.0 112.561 175.697 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 30.86 142.63 0.0 OUTLIER Pre-proline 0 N--CA 1.437 -1.11 2 C-N-CA 135.425 5.49 . . . . 0.0 118.282 -169.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -76.51 -157.49 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.909 3.073 . . . . 0.0 109.575 169.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -51.22 -39.26 56.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.931 1.292 . . . . 0.0 112.187 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.005 0 C-N-CA 124.964 1.306 . . . . 0.0 109.834 175.651 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.913 1 C4'-C3'-C2' 98.614 -4.586 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 2 O4'-C1'-N19 115.047 9.058 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 1 O4'-C1'-N19 111.876 5.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 4 O4'-C1'-N19 113.542 7.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -153.84 -67.44 0.14 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.086 0.955 . . . . 0.0 108.687 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 50.11 43.92 25.87 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.54 1.536 . . . . 0.0 111.376 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.5 ttm105 -167.0 -103.76 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -172.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -150.03 124.4 9.58 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.608 1.163 . . . . 0.0 108.804 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.2 t -54.35 -33.69 59.58 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.846 1.258 . . . . 0.0 112.03 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -58.98 168.82 1.18 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.27 1.428 . . . . 0.0 112.207 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.24 57.64 0.77 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.821 1.648 . . . . 0.0 107.61 173.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -52.67 -86.23 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 126.811 2.044 . . . . 0.0 113.752 -169.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -143.47 -59.42 0.41 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.47 1.108 . . . . 0.0 108.404 -169.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.73 -57.53 11.63 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.847 2.459 . . . . 0.0 113.888 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -86.21 165.78 16.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -168.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -55.91 162.02 2.01 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 124.568 1.147 . . . . 0.0 110.406 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.25 -41.25 4.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.897 1.279 . . . . 0.0 111.372 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.56 -43.85 88.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.79 1.236 . . . . 0.0 111.093 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.59 -14.48 1.45 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.765 1.626 . . . . 0.0 112.404 -172.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.21 32.77 20.96 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.866 1.266 . . . . 0.0 113.614 174.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.5 177.11 4.2 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -175.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -22.12 -81.81 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.208 1 C-N-CA 132.312 4.245 . . . . 0.0 116.203 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.12 49.48 0.6 Allowed Glycine 0 C--N 1.341 0.811 0 CA-C-N 117.893 0.315 . . . . 0.0 113.756 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -139.94 -171.77 3.25 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 167.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.26 170.57 14.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.431 1.092 . . . . 0.0 111.223 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.72 96.02 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -49.77 -25.33 2.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.524 2.329 . . . . 0.0 112.331 168.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -128.79 21.19 5.94 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.428 1.491 . . . . 0.0 111.979 -173.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 t -77.9 123.7 86.29 Favored Pre-proline 0 CA--C 1.535 0.392 0 O-C-N 120.828 -1.17 . . . . 0.0 110.452 -169.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.64 -26.42 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.208 3.272 . . . . 0.0 111.859 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -69.98 -31.38 69.05 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.188 0.995 . . . . 0.0 111.399 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -52.49 131.56 44.71 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 124.203 1.001 . . . . 0.0 110.374 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -62.49 118.67 5.57 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.089 2.526 . . . . 0.0 109.479 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 53.25 65.47 1.51 Allowed 'General case' 0 C--N 1.341 0.197 0 C-N-CA 125.054 1.342 . . . . 0.0 108.83 -169.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.2 162.0 36.88 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.855 -174.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -58.87 -54.14 3.09 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 124.189 3.259 . . . . 0.0 110.001 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -71.55 163.99 26.7 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.261 0.625 . . . . 0.0 110.785 171.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.79 177.9 15.36 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.879 1.228 . . . . 0.0 110.928 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -88.13 64.54 3.42 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 124.452 3.434 . . . . 0.0 106.818 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -46.63 -48.7 48.46 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -169.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -75.96 75.95 3.94 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.212 1.942 . . . . 0.0 109.985 174.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -122.12 42.46 3.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.792 1.637 . . . . 0.0 109.597 176.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.808 -1.568 . . . . 0.0 109.269 -178.36 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.822 1 C4'-C3'-C2' 98.544 -4.656 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.191 1 O4'-C1'-N19 113.986 7.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.411 ' C4 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 0 C5'--C4' 1.537 3.194 2 C5'-C4'-C3' 107.178 -5.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 3 O4'-C1'-N19 114.899 8.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 P-O3'-C3' 123.609 3.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.208 0 CA-C-O 119.531 -0.594 . . . . 0.0 112.658 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -90.23 -75.36 0.46 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.437 0.695 . . . . 0.0 109.418 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -167.64 -63.77 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.481 1.113 . . . . 0.0 108.816 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -165.18 -40.3 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.658 1.183 . . . . 0.0 110.012 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 74.19 -177.49 0.17 Allowed 'General case' 0 C--N 1.344 0.327 0 C-N-CA 125.106 1.362 . . . . 0.0 109.747 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.0 p -75.15 61.14 1.1 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.791 1.236 . . . . 0.0 110.51 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -77.41 -75.13 0.22 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.564 1.146 . . . . 0.0 108.119 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -154.81 102.46 2.36 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.682 1.193 . . . . 0.0 108.446 170.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -87.52 -165.69 1.37 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.931 1.293 . . . . 0.0 110.312 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -79.54 -30.5 41.78 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 125.657 1.583 . . . . 0.0 109.655 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.86 -63.65 1.19 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.962 1.305 . . . . 0.0 112.341 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -92.25 167.56 11.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.341 1.057 . . . . 0.0 113.542 -168.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 44.9 t -58.28 158.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.638 1.975 . . . . 0.0 111.694 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.34 -33.55 7.73 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.514 1.526 . . . . 0.0 111.929 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -75.27 -47.58 27.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.0 1.32 . . . . 0.0 111.981 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 p -126.63 -7.51 6.24 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 125.745 1.618 . . . . 0.0 111.24 -172.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 73.22 15.61 4.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.915 0.886 . . . . 0.0 113.272 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.52 148.45 29.17 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.703 0.801 . . . . 0.0 110.748 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.19 -38.62 17.48 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.792 1.637 . . . . 0.0 110.94 -172.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.34 -18.33 9.73 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.261 1.41 . . . . 0.0 114.575 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -151.08 -165.86 2.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.332 1.066 . . . . 0.0 108.565 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.411 ' CH2' ' C4 ' ' A' ' 3' ' ' ' DG' . 0.0 OUTLIER -134.29 165.57 24.83 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 124.268 1.027 . . . . 0.0 111.67 -176.544 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.46 -37.76 62.94 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.091 0.556 . . . . 0.0 111.558 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.347 1.459 . . . . 0.0 111.551 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -105.47 10.3 33.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.247 1.819 . . . . 0.0 112.227 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 t -63.18 123.1 79.21 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.161 0.891 . . . . 0.0 111.685 -169.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -82.09 -21.8 5.42 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 124.445 3.43 . . . . 0.0 111.091 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.74 -44.14 70.84 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.331 1.052 . . . . 0.0 108.693 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.26 142.08 98.38 Favored Pre-proline 0 N--CA 1.447 -0.578 0 C-N-CA 127.191 2.197 . . . . 0.0 110.151 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -44.5 114.07 0.55 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 124.51 3.473 . . . . 0.0 111.69 169.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -81.17 -46.09 15.4 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.014 0.925 . . . . 0.0 110.584 -169.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.42 176.18 45.43 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.05 156.6 55.72 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.702 2.934 . . . . 0.0 110.659 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -81.52 64.3 6.18 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.741 0.816 . . . . 0.0 109.924 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.84 -90.81 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 CA-C-O 117.541 -1.699 . . . . 0.0 109.945 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.288 0.1 OUTLIER 26.08 58.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.903 1 C-N-CA 129.115 6.543 . . . . 0.0 110.965 179.331 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 29.67 101.13 0.02 OUTLIER Pre-proline 0 N--CA 1.434 -1.263 2 C-N-CA 132.471 4.308 . . . . 0.0 113.436 -167.181 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.06 74.89 5.09 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.636 2.891 . . . . 0.0 110.972 -169.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.23 158.33 29.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.1 1.76 . . . . 0.0 106.378 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.547 -1.216 . . . . 0.0 110.028 179.282 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.355 2 C4'-C3'-C2' 98.148 -5.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.449 ' C5 ' ' C2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.135 1 O4'-C1'-N19 114.011 7.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.449 ' C2 ' ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.965 5.207 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.575 4 O4'-C1'-N19 114.021 7.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 0 C4'-C3'-C2' 100.639 -2.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 CA-C-O 119.427 -0.651 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 81.45 79.16 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.205 1.802 . . . . 0.0 113.058 168.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -162.38 87.82 0.63 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.659 0.784 . . . . 0.0 109.899 169.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 56.24 79.13 0.18 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.042 0.937 . . . . 0.0 111.959 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.26 60.59 5.65 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.308 0.575 . . . . 0.0 110.591 171.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -66.03 -48.04 72.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.181 0.992 . . . . 0.0 108.708 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -134.1 -47.21 0.78 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.76 1.624 . . . . 0.0 109.112 171.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.02 -122.43 0.09 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.761 1.624 . . . . 0.0 109.63 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 170.38 -115.17 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.739 3.216 . . . . 0.0 107.843 173.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.4 -58.41 1.61 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.241 1.417 . . . . 0.0 109.203 -169.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -38.92 92.62 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.042 2.137 . . . . 0.0 114.198 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -94.04 170.91 9.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.554 1.142 . . . . 0.0 112.931 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.91 148.68 29.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.695 0.798 . . . . 0.0 110.599 174.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.17 -17.03 14.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.717 1.607 . . . . 0.0 113.0 -175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -88.95 -58.56 2.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.145 1.378 . . . . 0.0 110.956 -177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.15 -18.36 8.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.103 1.761 . . . . 0.0 112.374 -168.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm 68.6 28.43 5.8 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -95.76 149.23 21.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp 27.5 -94.22 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 130.931 3.692 . . . . 0.0 115.582 169.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.45 69.0 0.28 Allowed Glycine 0 C--N 1.34 0.788 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -153.29 -171.05 3.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.45 1.5 . . . . 0.0 107.657 169.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.41 168.73 15.87 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.377 1.071 . . . . 0.0 110.931 -175.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.79 93.97 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -47.37 -34.09 6.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 128.58 2.752 . . . . 0.0 112.472 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -117.85 10.66 13.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.194 1.798 . . . . 0.0 112.281 -172.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.37 123.69 88.9 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.253 -0.905 . . . . 0.0 111.855 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.23 -17.93 5.31 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.299 3.333 . . . . 0.0 112.076 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -70.58 -40.37 73.32 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.41 ' C ' ' H ' ' B' ' 44' ' ' ARG . 4.5 ttpm? -80.4 153.92 74.05 Favored Pre-proline 0 N--CA 1.441 -0.915 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 167.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -60.62 17.84 0.04 OUTLIER 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.97 3.78 . . . . 0.0 115.697 169.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.41 ' H ' ' C ' ' B' ' 42' ' ' LYS . 70.4 mtp85 71.87 -53.24 0.69 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 128.096 2.559 . . . . 0.0 111.672 -175.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.16 54.21 9.45 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-O 118.848 -0.973 . . . . 0.0 112.778 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -65.93 134.24 36.53 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.289 1.993 . . . . 0.0 109.17 170.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.48 65.91 8.63 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.58 166.94 19.5 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -170.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.304 0.2 OUTLIER 28.88 55.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.849 1 C-N-CA 128.631 6.22 . . . . 0.0 111.937 177.083 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 43.06 137.19 0.0 OUTLIER Pre-proline 0 N--CA 1.437 -1.118 2 C-N-CA 134.616 5.166 . . . . 0.0 115.451 -168.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -70.77 -29.41 19.08 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.608 2.872 . . . . 0.0 112.182 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 72.14 174.96 0.29 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.856 1.662 . . . . 0.0 111.543 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.212 -1.375 . . . . 0.0 108.325 -177.749 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 C4'-C3'-C2' 98.517 -4.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.418 ' C5 ' ' C2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.411 -3.151 1 O4'-C1'-N19 114.446 8.307 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.418 ' C2 ' ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.753 2 C5'-C4'-C3' 107.627 -4.715 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.933 3 O4'-C1'-N19 116.02 10.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 109.545 2.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.116 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -85.85 159.53 19.68 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.362 1.065 . . . . 0.0 110.394 -169.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -160.5 -45.87 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.842 0.857 . . . . 0.0 110.142 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 64.0 29.69 14.26 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.379 1.472 . . . . 0.0 110.822 -173.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -149.64 166.8 28.23 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.139 1.775 . . . . 0.0 107.46 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -69.06 -59.49 3.0 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -142.3 -143.64 0.15 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 171.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.79 -11.42 59.99 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.093 0.406 . . . . 0.0 110.162 168.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 69.8 172.29 0.3 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 127.229 2.212 . . . . 0.0 114.356 168.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -79.31 -27.86 42.17 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.386 1.474 . . . . 0.0 111.529 -174.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -49.89 -32.47 14.64 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.558 1.943 . . . . 0.0 114.084 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -131.96 163.59 28.04 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.589 1.156 . . . . 0.0 112.313 -169.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 32.6 t -60.62 127.42 31.6 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 123.631 0.773 . . . . 0.0 109.806 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.06 73.09 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -78.42 -56.72 4.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.018 0.927 . . . . 0.0 111.039 -171.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.3 p -123.74 -19.79 5.66 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.51 1.524 . . . . 0.0 112.011 -169.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.51 65.49 1.44 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.239 1.018 . . . . 0.0 109.369 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -129.91 151.28 50.64 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 104.959 -2.238 . . . . 0.0 104.959 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -68.55 158.72 33.32 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.286 1.517 . . . . 0.0 113.388 -167.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.24 -37.1 3.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.672 168.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -122.96 -170.13 2.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.906 0.483 . . . . 0.0 111.329 -169.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -140.64 171.38 14.18 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.101 1.36 . . . . 0.0 109.879 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.95 -19.19 50.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -62.81 -40.72 98.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.956 0.902 . . . . 0.0 111.797 170.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -119.25 21.17 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.288 1.835 . . . . 0.0 112.145 -169.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.41 127.6 93.48 Favored Pre-proline 0 CA--C 1.539 0.521 0 O-C-N 121.159 -0.963 . . . . 0.0 111.009 -172.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.45 -31.83 2.52 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.689 2.926 . . . . 0.0 111.644 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -64.35 -32.91 74.7 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 110.251 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -48.39 143.18 7.56 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 127.577 2.351 . . . . 0.0 111.813 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -58.72 74.23 0.05 OUTLIER 'Trans proline' 0 CA--C 1.54 0.796 1 C-N-CA 125.383 4.055 . . . . 0.0 113.168 169.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 39.4 mtm105 -72.88 -52.32 15.23 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.439 1.096 . . . . 0.0 109.8 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.64 70.18 0.19 Allowed Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -77.75 70.52 6.92 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.813 3.009 . . . . 0.0 109.895 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -160.55 148.07 16.0 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.558 1.143 . . . . 0.0 108.696 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.53 83.55 0.36 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 109.254 -1.539 . . . . 0.0 109.254 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -93.99 -148.35 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 124.557 3.505 . . . . 0.0 105.977 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -147.51 163.26 28.64 Favored Pre-proline 0 CA--C 1.536 0.421 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 168.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -48.66 -47.2 21.54 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.357 2.705 . . . . 0.0 111.396 170.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.54 89.74 3.18 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 169.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 95.2 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.706 -1.616 . . . . 0.0 110.028 -178.096 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.05 2 O4'-C1'-N19 113.728 7.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.4 1 O4'-C1'-N19 114.217 8.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.709 1 O4'-C1'-N19 111.075 4.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.406 ' C6 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 1 P--O5' 1.634 4.062 4 O4'-C1'-N19 114.324 8.155 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 0 P-O3'-C3' 123.583 3.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.157 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.01 173.13 10.71 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.59 1.156 . . . . 0.0 109.802 -170.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -88.36 -60.96 1.82 Allowed 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 169.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -154.7 65.38 0.67 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 170.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 62.81 89.43 0.09 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.907 1.683 . . . . 0.0 108.523 -169.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.1 m -79.23 61.22 3.28 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.356 1.062 . . . . 0.0 111.235 -171.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 65.18 161.63 0.13 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 127.491 2.316 . . . . 0.0 113.256 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.8 -60.73 1.63 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 168.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -164.0 167.49 20.39 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.685 0.794 . . . . 0.0 109.901 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -100.25 -31.17 11.5 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 127.35 2.26 . . . . 0.0 110.009 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.31 -63.28 1.44 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.905 1.282 . . . . 0.0 111.854 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -90.05 164.07 14.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.657 1.183 . . . . 0.0 112.445 -171.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.5 t -61.36 142.6 56.8 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.206 1.003 . . . . 0.0 112.079 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.03 22.71 1.65 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.6 1.56 . . . . 0.0 112.513 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -146.78 -56.73 0.26 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.884 1.274 . . . . 0.0 107.934 -169.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.83 -31.19 10.85 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 127.504 2.322 . . . . 0.0 110.828 -173.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.73 55.9 4.11 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.826 1.25 . . . . 0.0 109.021 -169.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.95 -159.42 0.38 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.545 -1.662 . . . . 0.0 112.058 -169.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -74.48 -56.54 4.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.893 1.277 . . . . 0.0 110.247 -174.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.15 51.24 0.44 Allowed Glycine 0 C--N 1.341 0.836 0 N-CA-C 114.228 0.451 . . . . 0.0 114.228 -169.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -145.76 174.4 11.25 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 167.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . 0.406 ' CH2' ' C6 ' ' A' ' 4' ' ' ' DC' . 0.2 OUTLIER -131.25 167.45 19.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.596 1.158 . . . . 0.0 110.554 -169.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.76 -33.81 68.9 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.792 0.806 . . . . 0.0 110.361 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -52.4 42.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 129.388 3.075 . . . . 0.0 111.588 171.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -98.17 4.33 49.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.889 2.076 . . . . 0.0 111.776 -170.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 22.3 t -62.47 126.45 88.14 Favored Pre-proline 0 N--CA 1.443 -0.776 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -167.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.25 -32.08 2.54 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 124.033 3.155 . . . . 0.0 112.212 174.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -79.09 -23.92 43.81 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.212 1.005 . . . . 0.0 111.687 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -74.36 141.9 77.59 Favored Pre-proline 0 N--CA 1.448 -0.544 0 C-N-CA 125.233 1.413 . . . . 0.0 108.249 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -38.38 101.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 1 C-N-CA 125.514 4.143 . . . . 0.0 112.944 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -81.8 71.89 8.83 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.077 0.951 . . . . 0.0 110.464 -169.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.01 86.89 0.38 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -53.78 101.78 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 124.649 3.566 . . . . 0.0 112.006 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -142.53 -57.48 0.44 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.025 1.33 . . . . 0.0 109.162 -173.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.35 71.37 0.97 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -174.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -85.98 58.64 4.46 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 124.381 3.387 . . . . 0.0 107.075 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -67.26 159.25 78.31 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.65 -168.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.69 -32.99 30.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 124.108 3.205 . . . . 0.0 114.042 174.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -76.23 70.31 2.85 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.815 0.846 . . . . 0.0 109.203 174.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--O 1.252 1.195 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.672 -179.224 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.71 -56.58 17.66 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.371 1.068 . . . . 0.0 112.157 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -89.78 162.05 15.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.587 1.955 . . . . 0.0 113.385 -169.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -61.81 130.34 45.26 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.263 1.025 . . . . 0.0 110.553 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -68.03 -36.08 79.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.918 0.887 . . . . 0.0 112.432 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -76.32 -55.12 5.85 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.376 1.47 . . . . 0.0 111.303 -169.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.7 p -130.31 -15.53 3.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.598 1.559 . . . . 0.0 112.961 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 58.94 4.95 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.091 0.86 . . . . 0.0 110.672 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -119.27 157.24 28.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.861 1.664 . . . . 0.0 108.721 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 pttt 29.85 -117.38 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 129.142 2.977 . . . . 0.0 114.891 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.36 13.57 3.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.694 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -84.91 -169.2 2.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.503 1.151 . . . . 0.0 108.564 169.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -141.85 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.098 0.559 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.489 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -61.87 -19.38 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -64.3 -33.11 75.07 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 112.06 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -124.19 18.63 9.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.211 1.804 . . . . 0.0 112.152 -169.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.41 127.35 91.32 Favored Pre-proline 0 CA--C 1.535 0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 110.897 -169.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -77.92 -20.79 11.46 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.809 3.672 . . . . 0.0 112.096 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -71.59 -47.21 56.28 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tttm . . . . . 0 N--CA 1.448 -0.527 0 C-N-CA 124.464 1.106 . . . . 0.0 108.687 174.109 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 121.074 0.464 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.68 -38.92 49.59 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.542 2.337 . . . . 0.0 113.872 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -143.69 179.08 7.36 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -168.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.03 159.65 19.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.555 1.542 . . . . 0.0 111.853 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -115.43 -34.15 5.03 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.405 1.482 . . . . 0.0 111.936 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.34 -49.98 56.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.899 1.28 . . . . 0.0 111.036 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.3 p -124.13 -16.68 6.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.409 1.884 . . . . 0.0 111.355 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mptt 59.03 39.49 23.35 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.172 0.989 . . . . 0.0 111.525 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.09 159.35 15.61 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.511 1.524 . . . . 0.0 109.207 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? 33.68 -113.84 0.06 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.968 2.507 . . . . 0.0 114.5 171.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 18.99 1.03 Allowed Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.478 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -83.41 -170.76 3.21 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 168.25 15.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 123.135 0.574 . . . . 0.0 112.313 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.631 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -68.11 -27.52 66.53 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -56.54 -34.56 67.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 128.834 2.853 . . . . 0.0 112.852 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -116.33 -21.69 9.18 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.708 1.603 . . . . 0.0 113.978 -168.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 t -40.42 120.74 1.65 Allowed Pre-proline 0 N--CA 1.453 -0.325 0 C-N-CA 127.502 2.321 . . . . 0.0 113.639 -167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.39 -14.96 16.06 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 124.339 3.359 . . . . 0.0 112.52 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -69.35 -48.11 62.32 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 N--CA 1.443 -0.783 0 C-N-CA 127.67 2.388 . . . . 0.0 109.302 169.934 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.131 0.049 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.19 -44.87 33.14 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.627 2.771 . . . . 0.0 114.764 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -95.68 168.28 10.77 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.4 t -60.33 153.43 22.69 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 126.691 1.996 . . . . 0.0 111.43 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -108.81 8.58 26.74 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.836 1.255 . . . . 0.0 113.517 -172.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -127.93 -54.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.346 1.059 . . . . 0.0 108.358 -169.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.04 -13.48 11.87 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.239 1.816 . . . . 0.0 111.496 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm 78.23 13.35 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.941 1.296 . . . . 0.0 113.728 169.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.51 143.57 46.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.831 1.252 . . . . 0.0 110.763 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -85.76 -38.82 17.82 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.963 1.305 . . . . 0.0 110.478 -174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -19.64 14.5 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.463 1.506 . . . . 0.0 114.502 -176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -146.58 -167.11 2.66 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.453 1.126 . . . . 0.0 109.112 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.19 176.09 8.91 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.631 1.172 . . . . 0.0 111.635 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -63.71 -37.49 87.57 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 175.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -46.15 -34.67 4.44 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.706 2.402 . . . . 0.0 112.259 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -135.35 26.21 3.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.009 1.324 . . . . 0.0 113.17 -168.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 38.4 t -79.3 124.28 84.29 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 119.731 1.151 . . . . 0.0 109.741 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.66 -24.01 10.66 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.585 2.857 . . . . 0.0 112.153 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -74.3 -42.88 58.81 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.435 1.094 . . . . 0.0 108.774 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 124.375 1.07 . . . . 0.0 108.131 169.179 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.0 -52.76 62.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.858 1.663 . . . . 0.0 113.258 -173.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -71.35 160.66 32.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -168.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 t -67.15 120.71 14.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.369 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -83.97 48.28 1.44 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.768 0.827 . . . . 0.0 112.405 -174.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -158.65 -53.68 0.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -174.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -16.79 4.15 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.288 1.435 . . . . 0.0 112.83 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 58.73 46.05 14.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.352 1.061 . . . . 0.0 111.38 174.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 174.58 9.68 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 122.909 1.338 . . . . 0.0 113.209 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.297 52.9 tttp -27.32 -66.77 0.07 Allowed 'General case' 0 N--CA 1.434 -1.261 1 C-N-CA 133.772 4.829 . . . . 0.0 113.079 167.575 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.64 72.22 0.12 Allowed Glycine 0 C--N 1.339 0.741 0 C-N-CA 121.652 -0.309 . . . . 0.0 113.506 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -156.5 -158.2 0.77 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.199 1.4 . . . . 0.0 107.411 168.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.28 174.71 10.24 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.18 0.592 . . . . 0.0 112.229 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -64.37 -31.11 72.18 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 172.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -48.44 -47.87 37.82 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 127.671 2.388 . . . . 0.0 111.132 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -112.35 5.86 18.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.044 1.738 . . . . 0.0 113.82 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' B' ' 42' ' ' LYS . 24.9 t -63.03 124.28 83.21 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 119.573 1.079 . . . . 0.0 111.622 -168.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.43 -24.87 10.24 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 124.901 3.734 . . . . 0.0 112.196 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -75.25 -44.05 48.14 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.217 1.007 . . . . 0.0 109.228 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.4 ' HB3' ' HB3' ' B' ' 39' ' ' CYS . 42.8 tttm . . . . . 0 N--CA 1.449 -0.516 0 C-N-CA 126.531 1.932 . . . . 0.0 109.441 173.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 . . . . . 0 CA--C 1.534 0.361 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -25.17 62.26 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.08 1.752 . . . . 0.0 115.109 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.74 155.17 21.99 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.095 0.958 . . . . 0.0 112.813 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.92 140.65 58.89 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 122.96 0.504 . . . . 0.0 110.125 169.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.696 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -84.01 27.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.3 1.04 . . . . 0.0 112.706 -176.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -150.04 -54.69 0.16 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.51 1.524 . . . . 0.0 107.977 -169.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.06 -24.11 11.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.816 2.046 . . . . 0.0 111.423 -169.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 41.39 8.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.459 1.104 . . . . 0.0 110.079 -168.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 169.45 14.38 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 122.813 1.292 . . . . 0.0 114.128 -168.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.305 79.8 tttt -27.1 -63.76 0.08 Allowed 'General case' 0 N--CA 1.434 -1.257 1 C-N-CA 133.263 4.625 . . . . 0.0 112.456 167.559 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.61 57.21 0.24 Allowed Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.474 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -148.57 176.34 10.41 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.48 173.82 10.21 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.33 1.052 . . . . 0.0 111.819 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -62.13 -39.12 91.51 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 176.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -44.55 12.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 128.05 2.54 . . . . 0.0 111.621 169.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -114.29 10.72 17.22 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.069 1.747 . . . . 0.0 112.48 -169.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 45.9 t -66.55 126.18 91.77 Favored Pre-proline 0 N--CA 1.451 -0.423 0 O-C-N 121.549 -0.719 . . . . 0.0 112.799 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -85.75 -29.79 0.53 Allowed 'Trans proline' 0 N--CA 1.449 -1.137 1 C-N-CA 125.332 4.021 . . . . 0.0 112.454 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -73.25 -25.16 60.6 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.298 0.499 . . . . 0.0 110.971 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm . . . . . 0 N--CA 1.446 -0.642 0 C-N-CA 124.901 1.28 . . . . 0.0 109.443 174.835 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.779 0.324 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.2 -41.01 78.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.571 1.148 . . . . 0.0 112.032 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -107.88 154.4 21.64 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 113.415 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.29 153.92 33.31 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.463 1.105 . . . . 0.0 110.126 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -101.1 46.09 0.95 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.231 1.013 . . . . 0.0 111.543 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -166.23 -48.49 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -172.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 36.4 m -105.85 -27.38 11.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.224 2.21 . . . . 0.0 109.531 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 65.08 23.77 12.45 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 110.024 -171.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.25 138.43 33.87 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.147 2.579 . . . . 0.0 108.699 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -87.25 -34.65 18.87 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.777 1.231 . . . . 0.0 110.484 -171.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.14 -26.88 2.37 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.294 1.902 . . . . 0.0 113.948 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.448 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 8.9 p-80 -146.02 -168.97 3.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.249 1.025 . . . . 0.0 109.743 172.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -136.67 166.61 23.16 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 124.751 1.22 . . . . 0.0 109.941 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -57.32 -29.6 64.08 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -52.02 -52.41 50.96 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 124.355 1.062 . . . . 0.0 111.923 172.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.81 -32.08 18.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 127.206 2.203 . . . . 0.0 112.053 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 50.7 t -27.23 112.0 0.23 Allowed Pre-proline 0 N--CA 1.445 -0.679 0 C-N-CA 128.637 2.775 . . . . 0.0 115.29 -168.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.448 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 76.7 Cg_endo -71.9 -25.37 19.97 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 124.41 3.407 . . . . 0.0 112.546 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -80.4 -18.88 47.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.487 0.585 . . . . 0.0 111.57 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tttm . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 124.291 1.036 . . . . 0.0 109.546 175.625 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.98 -57.25 11.35 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.472 2.309 . . . . 0.0 115.256 -176.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.45 165.78 13.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -167.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.81 135.78 57.52 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.282 1.033 . . . . 0.0 112.315 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -83.49 46.22 1.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.781 1.632 . . . . 0.0 112.475 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -168.85 -51.67 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -172.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.9 m -113.12 -28.99 7.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.346 1.858 . . . . 0.0 110.487 -170.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 56.02 3.14 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 125.756 1.623 . . . . 0.0 109.382 -169.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -94.73 167.16 11.62 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.342 1.857 . . . . 0.0 111.035 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -34.52 -56.79 0.52 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 128.978 2.911 . . . . 0.0 113.867 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.44 56.03 0.29 Allowed Glycine 0 C--N 1.341 0.809 0 C-N-CA 121.108 -0.568 . . . . 0.0 114.506 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -148.28 169.21 20.6 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 166.54 18.48 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.897 0.879 . . . . 0.0 110.881 -175.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -60.33 -15.58 26.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -64.8 -59.32 4.36 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.66 0.664 . . . . 0.0 110.285 169.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.57 -27.96 41.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.97 1.708 . . . . 0.0 112.875 -172.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -34.83 126.76 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.377 0 C-N-CA 128.384 2.674 . . . . 0.0 115.302 -168.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.5 -31.67 2.56 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.98 3.12 . . . . 0.0 110.957 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.97 -14.13 60.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.697 0.799 . . . . 0.0 112.191 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 tttm . . . . . 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.926 . . . . 0.0 109.69 178.521 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 119.433 -0.318 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.33 -56.84 13.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.158 1.383 . . . . 0.0 112.884 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -101.47 168.0 9.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.908 0.883 . . . . 0.0 113.364 -168.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 39.9 t -60.1 131.04 49.59 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 123.901 0.88 . . . . 0.0 111.618 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -77.63 48.47 0.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.876 1.67 . . . . 0.0 112.202 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -169.91 -53.21 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -170.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.2 m -119.47 -27.6 5.52 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 125.676 1.591 . . . . 0.0 111.183 -169.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.69 55.45 2.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 126.484 1.914 . . . . 0.0 110.831 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.04 165.82 17.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.289 1.435 . . . . 0.0 110.265 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -35.74 -57.55 0.65 Allowed 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 128.343 2.657 . . . . 0.0 113.943 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 50.65 0.5 Allowed Glycine 0 C--N 1.341 0.853 0 CA-C-O 119.482 -0.621 . . . . 0.0 114.486 -169.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -145.61 169.63 18.05 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 167.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.68 166.71 21.99 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.887 0.875 . . . . 0.0 111.318 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -62.08 -13.85 30.55 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.913 0.779 . . . . 0.0 112.517 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.33 -59.16 3.96 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.976 0.91 . . . . 0.0 109.93 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -23.98 37.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.893 2.077 . . . . 0.0 113.716 -169.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 18.8 t -31.64 113.66 0.35 Allowed Pre-proline 0 N--CA 1.448 -0.543 0 C-N-CA 127.954 2.502 . . . . 0.0 115.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.25 -24.11 1.72 Allowed 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 124.076 3.184 . . . . 0.0 111.518 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -66.03 -45.51 81.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.799 1.24 . . . . 0.0 108.192 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tttm . . . . . 0 N--CA 1.446 -0.671 0 C-N-CA 128.105 2.562 . . . . 0.0 109.088 173.195 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 . . . . . 0 C--O 1.222 -0.369 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.19 -56.23 12.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.478 0.711 . . . . 0.0 111.294 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -82.27 151.87 26.59 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.138 1.375 . . . . 0.0 114.329 -168.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.48 134.72 57.19 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -62.61 -33.47 75.06 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -86.82 -53.84 4.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.032 2.133 . . . . 0.0 111.16 -171.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.52 -35.91 7.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.409 1.884 . . . . 0.0 110.761 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.0 47.53 19.65 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.099 0.874 . . . . 0.0 109.623 -168.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -82.3 171.54 14.12 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.563 1.145 . . . . 0.0 110.293 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -12.92 -61.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.194 0 C-N-CA 130.629 3.572 . . . . 0.0 115.459 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.21 -0.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.44 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.41 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 1.8 p-80 -75.79 168.86 19.25 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 120.179 1.99 . . . . 0.0 108.488 169.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.67 170.19 11.78 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 124.039 0.936 . . . . 0.0 111.492 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -56.84 -28.23 61.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.39 0.541 . . . . 0.0 111.124 175.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -68.01 -42.56 80.5 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.458 0.703 . . . . 0.0 112.797 172.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -100.16 22.7 11.01 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.732 1.213 . . . . 0.0 110.397 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.63 120.95 84.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 O-C-N 121.596 -0.69 . . . . 0.0 111.533 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 41.7 Cg_endo -83.18 -28.67 1.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 124.595 3.53 . . . . 0.0 112.532 177.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.28 72.59 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.635 0.774 . . . . 0.0 109.639 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp . . . . . 0 N--CA 1.438 -1.035 0 C-N-CA 125.722 1.609 . . . . 0.0 109.902 171.812 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.97 -46.98 84.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.056 2.142 . . . . 0.0 114.253 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -70.5 156.15 39.76 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -169.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.66 123.41 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 169.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -63.35 -35.14 79.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.278 0.631 . . . . 0.0 112.504 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -75.83 -50.92 13.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.808 1.643 . . . . 0.0 111.598 -169.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 11.9 p -137.87 -3.84 1.8 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.657 1.183 . . . . 0.0 113.167 -169.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 55.5 3.4 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.583 1.553 . . . . 0.0 112.659 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.31 -145.46 0.08 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.437 1.495 . . . . 0.0 111.858 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -82.52 -66.53 0.88 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.814 1.646 . . . . 0.0 111.741 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.88 58.63 0.43 Allowed Glycine 0 C--N 1.342 0.875 0 CA-C-O 120.266 -0.186 . . . . 0.0 112.924 -169.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -151.11 -174.19 4.73 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 168.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.14 168.05 20.11 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.429 0.692 . . . . 0.0 111.347 -176.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -55.77 -35.88 66.74 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 118.311 0.505 . . . . 0.0 111.524 -177.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -51.58 -49.56 61.85 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.229 1.012 . . . . 0.0 111.847 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -98.68 5.73 47.48 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.028 1.731 . . . . 0.0 112.108 -169.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.99 123.24 68.1 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 118.329 0.513 . . . . 0.0 111.989 -168.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.72 -27.48 3.98 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 125.011 3.807 . . . . 0.0 112.572 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -71.29 -43.12 67.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.554 2.342 . . . . 0.0 109.569 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? . . . . . 0 CA--C 1.537 0.475 0 C-N-CA 126.837 2.055 . . . . 0.0 109.403 172.868 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.93 -15.89 62.65 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -70.66 158.98 35.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.001 1.273 . . . . 0.0 112.745 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 t -73.64 143.04 46.46 Favored 'General case' 0 C--N 1.346 0.413 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -89.0 29.69 1.02 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.71 1.204 . . . . 0.0 112.174 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -152.38 -55.48 0.13 Allowed 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.76 0.824 . . . . 0.0 108.951 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.55 -19.15 13.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 125.048 1.339 . . . . 0.0 111.163 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt 62.93 39.13 10.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.154 0.982 . . . . 0.0 108.457 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 171.92 9.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.253 1.421 . . . . 0.0 113.334 -168.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -26.91 -54.95 0.08 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 129.827 3.251 . . . . 0.0 113.057 169.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.65 21.29 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.513 -1.159 . . . . 0.0 112.897 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.41 168.54 17.39 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 119.028 1.414 . . . . 0.0 107.419 169.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.71 170.44 8.45 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 123.503 0.721 . . . . 0.0 112.864 -174.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -68.24 -37.77 81.14 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 177.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -47.12 -50.83 19.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 128.459 2.704 . . . . 0.0 111.083 168.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -88.2 -33.51 18.12 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.899 2.08 . . . . 0.0 113.102 -170.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -26.02 103.74 0.14 Allowed Pre-proline 0 N--CA 1.446 -0.67 0 C-N-CA 130.631 3.572 . . . . 0.0 114.69 -167.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -86.16 -15.0 4.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.849 3.7 . . . . 0.0 111.206 171.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -66.82 -36.09 81.56 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.57 1.948 . . . . 0.0 108.954 171.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 125.591 1.556 . . . . 0.0 106.878 169.119 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -68.23 -62.68 1.29 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 110.646 174.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -98.46 166.46 11.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.697 1.199 . . . . 0.0 113.06 -169.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.68 159.05 7.06 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.423 1.889 . . . . 0.0 113.349 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.628 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -101.39 -38.58 7.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.294 1.838 . . . . 0.0 111.355 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -75.46 -53.92 7.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.451 1.501 . . . . 0.0 111.033 -172.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -123.61 -17.27 6.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.905 1.682 . . . . 0.0 111.252 -170.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.66 39.28 2.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.958 0.503 . . . . 0.0 111.641 169.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.67 169.58 16.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.861 0.864 . . . . 0.0 112.373 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -14.73 -66.82 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 130.718 3.607 . . . . 0.0 115.968 172.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.44 -7.3 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 114.302 -169.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -72.45 177.07 4.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.096 1.948 . . . . 0.0 108.649 169.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.52 173.35 7.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.293 0.637 . . . . 0.0 111.729 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.09 -31.95 73.41 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -45.75 -45.99 14.87 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.635 2.374 . . . . 0.0 111.907 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -103.55 -21.23 13.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.758 2.023 . . . . 0.0 113.218 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' CYS . . . . . 0.433 ' HB3' ' HB2' ' B' ' 42' ' ' LYS . 17.1 t -38.03 120.58 1.01 Allowed Pre-proline 0 N--CA 1.446 -0.644 0 C-N-CA 126.68 1.992 . . . . 0.0 115.228 -167.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -80.03 -29.03 2.84 Favored 'Trans proline' 0 N--CA 1.451 -1.02 1 C-N-CA 125.654 4.236 . . . . 0.0 112.307 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.889 1.276 . . . . 0.0 110.112 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' B' ' 39' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 127.657 2.383 . . . . 0.0 111.04 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.77 -39.07 84.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.895 2.078 . . . . 0.0 112.883 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -66.25 155.11 38.07 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.157 0.435 . . . . 0.0 111.077 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.38 123.67 16.26 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.752 170.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.461 ' HB3' ' CB ' ' B' ' 36' ' ' ALA . . . -60.82 -29.59 69.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.508 -0.745 . . . . 0.0 112.824 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -82.41 -54.71 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.398 1.479 . . . . 0.0 111.788 -169.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.06 -18.23 5.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.047 1.739 . . . . 0.0 111.746 -170.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 69.73 37.51 1.85 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.913 0.885 . . . . 0.0 112.47 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -78.23 163.11 26.06 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 168.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -52.37 6.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.68 1.592 . . . . 0.0 111.575 -169.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.97 -50.87 49.79 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.205 1.383 . . . . 0.0 113.272 -169.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -101.67 -172.02 2.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.76 0.424 . . . . 0.0 110.092 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.39 171.65 13.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.425 1.09 . . . . 0.0 110.658 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' B' ' 27' ' ' ALA . . . -65.42 -21.02 66.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.652 0.66 . . . . 0.0 110.367 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -62.38 -34.5 76.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 125.274 1.43 . . . . 0.0 111.113 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -123.36 16.14 9.74 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.098 2.159 . . . . 0.0 112.91 -170.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 28.7 t -66.33 131.34 94.28 Favored Pre-proline 0 CA--C 1.536 0.442 0 O-C-N 120.779 -1.201 . . . . 0.0 111.215 -169.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.87 -20.49 10.31 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.174 3.249 . . . . 0.0 111.07 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -70.29 -31.25 68.51 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.246 1.018 . . . . 0.0 110.828 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp . . . . . 0 N--CA 1.448 -0.569 0 C-N-CA 125.006 1.322 . . . . 0.0 110.777 -171.192 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.77 -55.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.896 2.478 . . . . 0.0 108.758 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -103.72 168.67 8.99 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 126.059 1.744 . . . . 0.0 112.462 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 46.7 t -63.19 149.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.394 1.078 . . . . 0.0 111.578 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -103.52 -7.5 20.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.609 1.164 . . . . 0.0 113.555 -174.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -108.82 -51.6 2.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.628 1.571 . . . . 0.0 108.072 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -122.5 -16.79 7.19 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.762 2.025 . . . . 0.0 111.665 -170.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 mptt 59.57 43.54 15.8 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.124 1.37 . . . . 0.0 111.017 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.14 174.71 4.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.058 1.343 . . . . 0.0 113.672 -177.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -49.02 -62.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 127.733 2.413 . . . . 0.0 113.089 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.13 58.29 0.4 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 117.667 0.212 . . . . 0.0 113.593 -169.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -149.41 -177.75 6.03 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 168.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.67 173.3 8.62 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.656 1.182 . . . . 0.0 111.12 -174.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.05 -39.78 93.79 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -44.29 -36.26 2.68 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 128.37 2.668 . . . . 0.0 112.268 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.99 9.07 9.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.645 1.578 . . . . 0.0 112.883 -169.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 49.9 t -67.79 128.32 93.43 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 119.622 1.101 . . . . 0.0 111.661 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -79.57 -25.69 5.33 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.811 3.674 . . . . 0.0 111.13 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -70.75 -37.94 73.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.078 0.551 . . . . 0.0 109.837 175.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.499 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 . . . . . 0 C--O 1.226 -0.174 0 CA-C-O 120.78 0.324 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -49.75 -36.17 24.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.794 2.038 . . . . 0.0 112.776 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -129.36 164.15 24.21 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.509 1.124 . . . . 0.0 111.465 -171.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.4 55.7 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.939 0.896 . . . . 0.0 109.726 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -70.04 -25.12 63.41 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -87.73 -59.37 2.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.084 1.354 . . . . 0.0 111.509 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 p -119.78 -12.34 9.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 126.217 1.807 . . . . 0.0 112.845 -168.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt 81.79 12.96 0.62 Allowed 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.068 0.947 . . . . 0.0 112.97 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.16 145.22 46.5 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.095 0.958 . . . . 0.0 109.482 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.31 -37.34 12.69 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.006 1.322 . . . . 0.0 110.471 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -26.1 9.95 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.582 1.563 . . . . 0.0 113.861 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -139.81 -162.85 1.4 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.258 1.023 . . . . 0.0 109.588 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.54 173.04 12.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.304 1.442 . . . . 0.0 110.063 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.06 -27.66 68.94 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.632 0.651 . . . . 0.0 109.74 -178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -49.53 -40.8 39.21 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.28 2.232 . . . . 0.0 111.46 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.42 16.49 10.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.131 2.173 . . . . 0.0 112.855 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -73.47 126.02 90.24 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 121.303 -0.873 . . . . 0.0 112.062 -169.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.1 -23.61 11.89 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.777 2.985 . . . . 0.0 110.768 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -67.0 -38.27 85.71 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttm . . . . . 0 N--CA 1.443 -0.775 0 C-N-CA 124.969 1.308 . . . . 0.0 110.133 179.385 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.73 -57.53 11.63 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.847 2.459 . . . . 0.0 113.888 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -86.21 165.78 16.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -168.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -55.91 162.02 2.01 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 124.568 1.147 . . . . 0.0 110.406 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -110.25 -41.25 4.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.897 1.279 . . . . 0.0 111.372 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.56 -43.85 88.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.79 1.236 . . . . 0.0 111.093 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.59 -14.48 1.45 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.765 1.626 . . . . 0.0 112.404 -172.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.21 32.77 20.96 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.866 1.266 . . . . 0.0 113.614 174.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.5 177.11 4.2 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -175.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -22.12 -81.81 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.208 1 C-N-CA 132.312 4.245 . . . . 0.0 116.203 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.12 49.48 0.6 Allowed Glycine 0 C--N 1.341 0.811 0 CA-C-N 117.893 0.315 . . . . 0.0 113.756 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -139.94 -171.77 3.25 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 167.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.26 170.57 14.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.431 1.092 . . . . 0.0 111.223 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.662 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -64.59 -40.72 96.02 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -49.77 -25.33 2.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.524 2.329 . . . . 0.0 112.331 168.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -128.79 21.19 5.94 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.428 1.491 . . . . 0.0 111.979 -173.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 t -77.9 123.7 86.29 Favored Pre-proline 0 CA--C 1.535 0.392 0 O-C-N 120.828 -1.17 . . . . 0.0 110.452 -169.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.64 -26.42 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.208 3.272 . . . . 0.0 111.859 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -69.98 -31.38 69.05 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.188 0.995 . . . . 0.0 111.399 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm . . . . . 0 CA--C 1.537 0.466 0 C-N-CA 124.203 1.001 . . . . 0.0 110.374 -177.632 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.86 -63.65 1.19 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.962 1.305 . . . . 0.0 112.341 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -92.25 167.56 11.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.341 1.057 . . . . 0.0 113.542 -168.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 44.9 t -58.28 158.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.638 1.975 . . . . 0.0 111.694 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -106.34 -33.55 7.73 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.514 1.526 . . . . 0.0 111.929 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -75.27 -47.58 27.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.0 1.32 . . . . 0.0 111.981 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 p -126.63 -7.51 6.24 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 125.745 1.618 . . . . 0.0 111.24 -172.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 73.22 15.61 4.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.915 0.886 . . . . 0.0 113.272 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.52 148.45 29.17 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.703 0.801 . . . . 0.0 110.748 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.19 -38.62 17.48 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.792 1.637 . . . . 0.0 110.94 -172.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.34 -18.33 9.73 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.261 1.41 . . . . 0.0 114.575 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -151.08 -165.86 2.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.332 1.066 . . . . 0.0 108.565 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.29 165.57 24.83 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 124.268 1.027 . . . . 0.0 111.67 -176.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -53.46 -37.76 62.94 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.091 0.556 . . . . 0.0 111.558 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.347 1.459 . . . . 0.0 111.551 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -105.47 10.3 33.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.247 1.819 . . . . 0.0 112.227 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 42' ' ' LYS . 26.4 t -63.18 123.1 79.21 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.161 0.891 . . . . 0.0 111.685 -169.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -82.09 -21.8 5.42 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 124.445 3.43 . . . . 0.0 111.091 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.74 -44.14 70.84 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.331 1.052 . . . . 0.0 108.693 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 39' ' ' CYS . 64.9 tttp . . . . . 0 N--CA 1.447 -0.578 0 C-N-CA 127.191 2.197 . . . . 0.0 110.151 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -38.92 92.62 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.042 2.137 . . . . 0.0 114.198 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -94.04 170.91 9.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.554 1.142 . . . . 0.0 112.931 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.91 148.68 29.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.695 0.798 . . . . 0.0 110.599 174.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -106.17 -17.03 14.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.717 1.607 . . . . 0.0 113.0 -175.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -88.95 -58.56 2.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.145 1.378 . . . . 0.0 110.956 -177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.15 -18.36 8.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.103 1.761 . . . . 0.0 112.374 -168.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm 68.6 28.43 5.8 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -95.76 149.23 21.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp 27.5 -94.22 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 130.931 3.692 . . . . 0.0 115.582 169.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.45 69.0 0.28 Allowed Glycine 0 C--N 1.34 0.788 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -153.29 -171.05 3.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.45 1.5 . . . . 0.0 107.657 169.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.41 168.73 15.87 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.377 1.071 . . . . 0.0 110.931 -175.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.01 -39.79 93.97 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -47.37 -34.09 6.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 128.58 2.752 . . . . 0.0 112.472 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -117.85 10.66 13.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.194 1.798 . . . . 0.0 112.281 -172.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.37 123.69 88.9 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.253 -0.905 . . . . 0.0 111.855 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.23 -17.93 5.31 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.299 3.333 . . . . 0.0 112.076 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -70.58 -40.37 73.32 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? . . . . . 0 N--CA 1.441 -0.915 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 167.96 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 120.628 0.252 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -49.89 -32.47 14.64 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.558 1.943 . . . . 0.0 114.084 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -131.96 163.59 28.04 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.589 1.156 . . . . 0.0 112.313 -169.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 32.6 t -60.62 127.42 31.6 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 123.631 0.773 . . . . 0.0 109.806 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -66.82 -32.06 73.09 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -78.42 -56.72 4.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.018 0.927 . . . . 0.0 111.039 -171.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.3 p -123.74 -19.79 5.66 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.51 1.524 . . . . 0.0 112.011 -169.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.51 65.49 1.44 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.239 1.018 . . . . 0.0 109.369 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -129.91 151.28 50.64 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 104.959 -2.238 . . . . 0.0 104.959 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -68.55 158.72 33.32 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.286 1.517 . . . . 0.0 113.388 -167.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.24 -37.1 3.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.672 168.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -122.96 -170.13 2.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.906 0.483 . . . . 0.0 111.329 -169.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -140.64 171.38 14.18 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.101 1.36 . . . . 0.0 109.879 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -59.95 -19.19 50.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -62.81 -40.72 98.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.956 0.902 . . . . 0.0 111.797 170.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -119.25 21.17 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.288 1.835 . . . . 0.0 112.145 -169.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' B' ' 42' ' ' LYS . 48.7 t -67.41 127.6 93.48 Favored Pre-proline 0 CA--C 1.539 0.521 0 O-C-N 121.159 -0.963 . . . . 0.0 111.009 -172.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.45 -31.83 2.52 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.689 2.926 . . . . 0.0 111.644 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -64.35 -32.91 74.7 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 110.251 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' B' ' 39' ' ' CYS . 10.9 tttm . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 127.577 2.351 . . . . 0.0 111.813 -176.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.223 -0.313 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.31 -63.28 1.44 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.905 1.282 . . . . 0.0 111.854 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -90.05 164.07 14.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.657 1.183 . . . . 0.0 112.445 -171.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.5 t -61.36 142.6 56.8 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.206 1.003 . . . . 0.0 112.079 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.604 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -86.03 22.71 1.65 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.6 1.56 . . . . 0.0 112.513 -177.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -146.78 -56.73 0.26 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.884 1.274 . . . . 0.0 107.934 -169.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.83 -31.19 10.85 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 127.504 2.322 . . . . 0.0 110.828 -173.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.73 55.9 4.11 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.826 1.25 . . . . 0.0 109.021 -169.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.95 -159.42 0.38 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.545 -1.662 . . . . 0.0 112.058 -169.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -74.48 -56.54 4.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.893 1.277 . . . . 0.0 110.247 -174.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.15 51.24 0.44 Allowed Glycine 0 C--N 1.341 0.836 0 N-CA-C 114.228 0.451 . . . . 0.0 114.228 -169.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -145.76 174.4 11.25 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 167.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -131.25 167.45 19.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.596 1.158 . . . . 0.0 110.554 -169.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -57.76 -33.81 68.9 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.792 0.806 . . . . 0.0 110.361 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -52.4 42.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 129.388 3.075 . . . . 0.0 111.588 171.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -98.17 4.33 49.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.889 2.076 . . . . 0.0 111.776 -170.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 22.3 t -62.47 126.45 88.14 Favored Pre-proline 0 N--CA 1.443 -0.776 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -167.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.25 -32.08 2.54 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 124.033 3.155 . . . . 0.0 112.212 174.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -79.09 -23.92 43.81 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.212 1.005 . . . . 0.0 111.687 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? . . . . . 0 N--CA 1.448 -0.544 0 C-N-CA 125.233 1.413 . . . . 0.0 108.249 177.554 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.518 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.536 3.067 1 C4'-C3'-C2' 98.371 -4.829 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.202 1 O4'-C1'-N19 114.733 8.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 2 C5'-C4'-C3' 107.396 -4.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.791 3 O4'-C1'-N19 114.154 7.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 1 O4'-C1'-N19 111.96 5.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.089 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.29 77.1 7.06 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.181 0.993 . . . . 0.0 110.48 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.25 -33.71 65.7 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.045 0.938 . . . . 0.0 111.575 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -55.42 -45.95 76.7 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.869 0.868 . . . . 0.0 110.924 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.4 ttp-105 -81.83 70.72 8.79 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.1 p -63.35 -32.23 73.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.679 1.192 . . . . 0.0 111.671 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -146.48 -175.16 4.67 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.629 1.171 . . . . 0.0 110.066 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.4 50.91 5.64 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.683 1.593 . . . . 0.0 112.922 171.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.13 -166.62 1.07 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.285 1.034 . . . . 0.0 109.783 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -87.26 -30.89 20.57 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 124.66 1.184 . . . . 0.0 110.443 171.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.71 -56.58 17.66 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.371 1.068 . . . . 0.0 112.157 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -89.78 162.05 15.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.587 1.955 . . . . 0.0 113.385 -169.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -61.81 130.34 45.26 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.263 1.025 . . . . 0.0 110.553 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.518 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -68.03 -36.08 79.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.918 0.887 . . . . 0.0 112.432 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -76.32 -55.12 5.85 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.376 1.47 . . . . 0.0 111.303 -169.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.7 p -130.31 -15.53 3.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.598 1.559 . . . . 0.0 112.961 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 58.94 4.95 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.091 0.86 . . . . 0.0 110.672 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -119.27 157.24 28.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.861 1.664 . . . . 0.0 108.721 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 pttt 29.85 -117.38 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 129.142 2.977 . . . . 0.0 114.891 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.36 13.57 3.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.694 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -84.91 -169.2 2.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.503 1.151 . . . . 0.0 108.564 169.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -141.85 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.098 0.559 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.489 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -61.87 -19.38 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -64.3 -33.11 75.07 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 112.06 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -124.19 18.63 9.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.211 1.804 . . . . 0.0 112.152 -169.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.41 127.35 91.32 Favored Pre-proline 0 CA--C 1.535 0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 110.897 -169.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -77.92 -20.79 11.46 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.809 3.672 . . . . 0.0 112.096 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -71.59 -47.21 56.28 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -62.7 134.67 95.44 Favored Pre-proline 0 N--CA 1.448 -0.527 0 C-N-CA 124.464 1.106 . . . . 0.0 108.687 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.15 71.98 6.08 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.222 2.615 . . . . 0.0 110.82 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -86.26 60.54 6.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.037 0.935 . . . . 0.0 108.92 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.16 127.13 9.87 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.5 66.19 8.81 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.641 2.894 . . . . 0.0 110.102 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -162.87 17.22 0.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.722 1.209 . . . . 0.0 111.615 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.76 82.3 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -89.53 51.82 1.41 Allowed 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 124.289 3.326 . . . . 0.0 107.642 -174.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -74.35 156.03 87.5 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.799 -169.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.95 73.03 3.14 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.571 2.847 . . . . 0.0 109.73 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -179.36 -46.92 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.925 2.09 . . . . 0.0 108.222 -169.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.25 1.088 0 C-N-CA 124.951 1.3 . . . . 0.0 109.233 179.048 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.629 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.535 2.98 1 C4'-C3'-C2' 98.597 -4.603 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 1 O4'-C1'-N19 114.907 8.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.285 1 O4'-C1'-N19 112.137 5.421 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.892 3 O4'-C1'-N19 115.181 9.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.332 0 O5'-C5'-C4' 115.747 3.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.116 0 N-CA-C 112.055 -0.418 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.53 129.3 39.52 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.446 0.698 . . . . 0.0 110.051 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -81.51 82.26 7.35 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -156.42 154.46 30.5 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 124.033 0.933 . . . . 0.0 110.193 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -89.12 78.51 7.37 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.9 p -59.54 135.08 57.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.829 0.852 . . . . 0.0 110.852 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -151.32 -154.25 0.54 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.912 1.285 . . . . 0.0 107.88 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -80.87 56.79 2.83 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.804 0.811 . . . . 0.0 110.968 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -73.06 -172.53 1.08 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.991 1.316 . . . . 0.0 110.36 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -57.29 -31.95 66.15 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.003 0.921 . . . . 0.0 110.829 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.68 -38.92 49.59 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.542 2.337 . . . . 0.0 113.872 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -143.69 179.08 7.36 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -168.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.03 159.65 19.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.555 1.542 . . . . 0.0 111.853 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -115.43 -34.15 5.03 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.405 1.482 . . . . 0.0 111.936 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.34 -49.98 56.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.899 1.28 . . . . 0.0 111.036 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.3 p -124.13 -16.68 6.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.409 1.884 . . . . 0.0 111.355 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mptt 59.03 39.49 23.35 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.172 0.989 . . . . 0.0 111.525 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.09 159.35 15.61 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.511 1.524 . . . . 0.0 109.207 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? 33.68 -113.84 0.06 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.968 2.507 . . . . 0.0 114.5 171.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 18.99 1.03 Allowed Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.478 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -83.41 -170.76 3.21 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 168.25 15.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 123.135 0.574 . . . . 0.0 112.313 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.631 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -68.11 -27.52 66.53 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -56.54 -34.56 67.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 128.834 2.853 . . . . 0.0 112.852 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -116.33 -21.69 9.18 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.708 1.603 . . . . 0.0 113.978 -168.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 t -40.42 120.74 1.65 Allowed Pre-proline 0 N--CA 1.453 -0.325 0 C-N-CA 127.502 2.321 . . . . 0.0 113.639 -167.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.39 -14.96 16.06 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 124.339 3.359 . . . . 0.0 112.52 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -69.35 -48.11 62.32 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -74.7 164.7 59.53 Favored Pre-proline 0 N--CA 1.443 -0.783 0 C-N-CA 127.67 2.388 . . . . 0.0 109.302 169.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -64.75 27.0 0.08 OUTLIER 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 124.557 3.504 . . . . 0.0 115.355 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 60.77 69.59 0.67 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.358 1.863 . . . . 0.0 112.663 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.12 163.95 39.1 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.542 0.591 . . . . 0.0 112.187 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -79.08 67.24 8.65 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 124.436 3.424 . . . . 0.0 110.009 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -81.85 -50.35 9.3 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.526 1.13 . . . . 0.0 111.104 -174.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.53 -159.65 48.47 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-O 117.338 -1.812 . . . . 0.0 111.078 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.33 0.2 OUTLIER 37.0 58.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 1 C-N-CA 126.984 5.123 . . . . 0.0 111.563 169.896 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.04 95.97 0.04 OUTLIER Pre-proline 0 N--CA 1.432 -1.335 2 CA-C-N 107.895 -4.229 . . . . 0.0 111.189 -168.118 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -83.64 69.04 6.85 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.146 2.564 . . . . 0.0 110.561 -171.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 150.27 46.95 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.117 -0.364 . . . . 0.0 110.738 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.609 -1.186 . . . . 0.0 109.159 -178.808 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.552 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.539 3.457 1 C4'-C3'-C2' 97.41 -5.79 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 2 O4'-C1'-N19 114.858 8.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 1 O4'-C1'-N19 111.861 5.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.371 2 O4'-C1'-N19 116.907 11.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 0 P-O3'-C3' 121.706 1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.109 0 CA-C-O 119.789 -0.45 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 63.87 -78.79 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.857 2.063 . . . . 0.0 112.015 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -110.04 28.06 8.98 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.221 1.408 . . . . 0.0 109.886 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -169.13 151.92 4.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.688 1.595 . . . . 0.0 106.961 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -67.62 165.69 16.53 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.06 0.544 . . . . 0.0 109.74 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.2 t -57.41 -49.86 74.85 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.031 0.532 . . . . 0.0 110.201 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -142.72 167.89 21.01 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.062 1.345 . . . . 0.0 108.501 173.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.46 93.07 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.781 1.632 . . . . 0.0 112.209 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -139.08 -172.95 3.45 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.922 1.289 . . . . 0.0 109.711 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -57.08 -69.44 0.16 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.915 1.686 . . . . 0.0 111.131 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.19 -44.87 33.14 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.627 2.771 . . . . 0.0 114.764 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -95.68 168.28 10.77 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.4 t -60.33 153.43 22.69 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 126.691 1.996 . . . . 0.0 111.43 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -108.81 8.58 26.74 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.836 1.255 . . . . 0.0 113.517 -172.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -127.93 -54.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.346 1.059 . . . . 0.0 108.358 -169.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.04 -13.48 11.87 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.239 1.816 . . . . 0.0 111.496 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm 78.23 13.35 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.941 1.296 . . . . 0.0 113.728 169.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.51 143.57 46.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.831 1.252 . . . . 0.0 110.763 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -85.76 -38.82 17.82 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.963 1.305 . . . . 0.0 110.478 -174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -19.64 14.5 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.463 1.506 . . . . 0.0 114.502 -176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -146.58 -167.11 2.66 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.453 1.126 . . . . 0.0 109.112 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.19 176.09 8.91 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.631 1.172 . . . . 0.0 111.635 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -63.71 -37.49 87.57 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 175.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -46.15 -34.67 4.44 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.706 2.402 . . . . 0.0 112.259 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -135.35 26.21 3.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.009 1.324 . . . . 0.0 113.17 -168.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 38.4 t -79.3 124.28 84.29 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 119.731 1.151 . . . . 0.0 109.741 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.66 -24.01 10.66 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.585 2.857 . . . . 0.0 112.153 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -74.3 -42.88 58.81 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.435 1.094 . . . . 0.0 108.774 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -57.99 142.22 79.96 Favored Pre-proline 0 CA--C 1.536 0.426 0 C-N-CA 124.375 1.07 . . . . 0.0 108.131 169.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.03 84.95 1.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.062 2.508 . . . . 0.0 109.929 -174.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -62.1 114.41 3.4 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.519 1.528 . . . . 0.0 109.456 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.39 178.77 44.17 Favored Glycine 0 CA--C 1.534 1.25 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.09 158.57 25.09 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.818 3.012 . . . . 0.0 112.693 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -74.28 93.97 2.44 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.67 -159.6 36.66 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -174.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -92.37 49.37 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 124.637 3.558 . . . . 0.0 106.176 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -51.41 -54.79 35.03 Favored Pre-proline 0 N--CA 1.448 -0.564 0 C-N-CA 124.267 1.027 . . . . 0.0 113.226 -168.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.41 76.13 3.23 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.495 2.13 . . . . 0.0 109.589 171.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -80.21 71.2 6.96 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.179 0.992 . . . . 0.0 109.5 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.251 1.135 0 CA-C-O 117.146 -1.407 . . . . 0.0 109.676 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.499 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.537 3.229 2 O4'-C1'-N19 113.498 7.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 2 O4'-C1'-N19 116.02 10.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.362 4.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.54 4 O4'-C1'-N19 112.755 6.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 P-O3'-C3' 123.409 3.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.977 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 53.82 55.1 8.86 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.973 1.309 . . . . 0.0 110.404 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 147.74 18.39 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.226 1.01 . . . . 0.0 112.594 -176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -76.46 -59.98 2.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -74.33 170.67 15.15 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.164 0.986 . . . . 0.0 109.296 170.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.3 p -67.69 -51.55 48.24 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.517 0.727 . . . . 0.0 110.308 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -130.6 171.32 13.18 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.451 1.5 . . . . 0.0 109.951 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 53.56 62.97 2.38 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.035 1.334 . . . . 0.0 111.276 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -147.59 -154.27 0.54 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.806 0.842 . . . . 0.0 109.507 -170.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -40.49 -75.66 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 128.259 2.623 . . . . 0.0 111.794 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.0 -52.76 62.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.858 1.663 . . . . 0.0 113.258 -173.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.35 160.66 32.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -168.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 t -67.15 120.71 14.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.369 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.499 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -83.97 48.28 1.44 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.768 0.827 . . . . 0.0 112.405 -174.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -158.65 -53.68 0.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -174.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -16.79 4.15 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.288 1.435 . . . . 0.0 112.83 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 58.73 46.05 14.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.352 1.061 . . . . 0.0 111.38 174.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 174.58 9.68 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 122.909 1.338 . . . . 0.0 113.209 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.297 52.9 tttp -27.32 -66.77 0.07 Allowed 'General case' 0 N--CA 1.434 -1.261 1 C-N-CA 133.772 4.829 . . . . 0.0 113.079 167.575 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.64 72.22 0.12 Allowed Glycine 0 C--N 1.339 0.741 0 C-N-CA 121.652 -0.309 . . . . 0.0 113.506 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -156.5 -158.2 0.77 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.199 1.4 . . . . 0.0 107.411 168.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.28 174.71 10.24 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.18 0.592 . . . . 0.0 112.229 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -64.37 -31.11 72.18 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 172.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -48.44 -47.87 37.82 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 127.671 2.388 . . . . 0.0 111.132 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -112.35 5.86 18.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.044 1.738 . . . . 0.0 113.82 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' B' ' 42' ' ' LYS . 24.9 t -63.03 124.28 83.21 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 119.573 1.079 . . . . 0.0 111.622 -168.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.43 -24.87 10.24 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 124.901 3.734 . . . . 0.0 112.196 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -75.25 -44.05 48.14 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.217 1.007 . . . . 0.0 109.228 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.4 ' HB3' ' HB3' ' B' ' 39' ' ' CYS . 42.8 tttm -61.9 146.4 91.33 Favored Pre-proline 0 N--CA 1.449 -0.516 0 C-N-CA 126.531 1.932 . . . . 0.0 109.441 173.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.67 77.15 2.27 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.32 2.68 . . . . 0.0 109.555 174.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -65.87 -50.46 64.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.21 1.404 . . . . 0.0 110.479 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.64 63.82 0.2 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.77 146.02 58.85 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.185 2.59 . . . . 0.0 110.225 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 70.62 -67.59 0.24 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.417 1.887 . . . . 0.0 111.312 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.2 178.19 15.2 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.263 1.411 . . . . 0.0 111.175 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -87.46 60.23 3.59 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 125.008 3.805 . . . . 0.0 106.739 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -63.56 155.92 73.51 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.994 -169.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -58.13 144.16 95.58 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.452 2.102 . . . . 0.0 109.317 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 78.55 -51.32 0.47 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.354 1.861 . . . . 0.0 109.581 -169.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.25 1.128 0 C-N-CA 126.714 2.006 . . . . 0.0 111.619 171.937 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.445 H2'' " C1'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.572 2 O4'-C1'-N19 115.527 9.659 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.445 " C1'" H2'' ' A' ' 1' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.07 2 O4'-C1'-N19 115.444 9.554 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.507 2 O4'-C1'-N19 113.514 7.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.453 ' C6 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 1 P--O5' 1.634 4.11 3 O4'-C1'-N19 115.988 10.235 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 109.686 2.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.154 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -93.79 -104.83 0.13 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.922 0.889 . . . . 0.0 110.773 -169.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 49.68 45.73 24.27 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.59 1.156 . . . . 0.0 110.425 -169.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -67.1 -29.28 68.99 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.997 0.919 . . . . 0.0 111.542 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -145.3 161.7 38.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.389 1.076 . . . . 0.0 109.1 171.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t 56.08 -150.56 0.43 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.037 1.335 . . . . 0.0 111.104 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.38 -73.03 0.57 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.917 1.287 . . . . 0.0 108.173 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 46.34 53.76 9.23 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.235 1.814 . . . . 0.0 113.37 169.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.43 -173.67 4.47 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.309 0.644 . . . . 0.0 111.024 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -48.84 -75.75 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.216 2.206 . . . . 0.0 111.443 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -25.17 62.26 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.08 1.752 . . . . 0.0 115.109 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.74 155.17 21.99 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.095 0.958 . . . . 0.0 112.813 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.92 140.65 58.89 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 122.96 0.504 . . . . 0.0 110.125 169.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.696 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -84.01 27.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.3 1.04 . . . . 0.0 112.706 -176.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -150.04 -54.69 0.16 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.51 1.524 . . . . 0.0 107.977 -169.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.06 -24.11 11.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.816 2.046 . . . . 0.0 111.423 -169.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 41.39 8.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.459 1.104 . . . . 0.0 110.079 -168.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 169.45 14.38 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 122.813 1.292 . . . . 0.0 114.128 -168.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.305 79.8 tttt -27.1 -63.76 0.08 Allowed 'General case' 0 N--CA 1.434 -1.257 1 C-N-CA 133.263 4.625 . . . . 0.0 112.456 167.559 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.61 57.21 0.24 Allowed Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.474 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -148.57 176.34 10.41 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.453 ' CH2' ' C6 ' ' A' ' 4' ' ' ' DC' . 0.0 OUTLIER -129.48 173.82 10.21 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.33 1.052 . . . . 0.0 111.819 -174.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -62.13 -39.12 91.51 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 176.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -44.55 12.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 128.05 2.54 . . . . 0.0 111.621 169.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -114.29 10.72 17.22 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.069 1.747 . . . . 0.0 112.48 -169.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 45.9 t -66.55 126.18 91.77 Favored Pre-proline 0 N--CA 1.451 -0.423 0 O-C-N 121.549 -0.719 . . . . 0.0 112.799 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -85.75 -29.79 0.53 Allowed 'Trans proline' 0 N--CA 1.449 -1.137 1 C-N-CA 125.332 4.021 . . . . 0.0 112.454 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -73.25 -25.16 60.6 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.298 0.499 . . . . 0.0 110.971 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -59.48 133.21 88.52 Favored Pre-proline 0 N--CA 1.446 -0.642 0 C-N-CA 124.901 1.28 . . . . 0.0 109.443 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -49.84 106.07 0.11 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.911 3.074 . . . . 0.0 108.886 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -155.56 67.56 0.64 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -168.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.74 -167.24 38.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -55.22 151.3 36.29 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 124.265 3.31 . . . . 0.0 112.776 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 52.0 tpt85 -152.62 -48.18 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.095 0.958 . . . . 0.0 109.887 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.56 73.43 0.25 Allowed Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -87.04 56.58 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.381 3.387 . . . . 0.0 107.327 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -65.16 124.98 88.37 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-O 118.85 -0.595 . . . . 0.0 110.276 -168.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -81.51 59.31 7.23 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.428 2.752 . . . . 0.0 109.947 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -167.0 149.4 6.21 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.035 1.334 . . . . 0.0 108.017 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.369 -1.3 . . . . 0.0 108.873 169.423 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.552 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.537 3.204 1 C4'-C3'-C2' 98.015 -5.185 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.182 2 O4'-C1'-N19 115.024 9.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.407 ' C4 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 0 C5'--C4' 1.537 3.267 1 O4'-C1'-N19 112.589 5.987 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.421 " C5'" ' HE ' ' B' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.628 3.469 4 O4'-C1'-N19 113.105 6.632 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 0 O5'-C5'-C4' 115.487 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.071 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -70.14 -45.98 65.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.402 0.681 . . . . 0.0 110.928 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 75.21 -57.02 0.61 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 126.977 2.111 . . . . 0.0 112.098 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 65.73 -126.24 0.31 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.07 1.748 . . . . 0.0 109.333 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 54.44 60.18 3.71 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 125.381 1.473 . . . . 0.0 111.441 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -157.5 -66.44 0.1 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.447 1.499 . . . . 0.0 107.763 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -144.61 167.57 22.22 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.49 1.516 . . . . 0.0 107.922 170.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 56.58 37.3 28.71 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.783 0.833 . . . . 0.0 110.247 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' B' ' 23' ' ' ARG . 20.3 t70 -93.14 -155.48 0.44 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.167 1.387 . . . . 0.0 112.593 -168.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.421 ' HE ' " C5'" ' A' ' 4' ' ' ' DC' . 9.0 mmt-85 -85.43 -35.27 21.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.502 1.521 . . . . 0.0 111.647 -169.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.2 -41.01 78.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.571 1.148 . . . . 0.0 112.032 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -107.88 154.4 21.64 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 113.415 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.29 153.92 33.31 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.463 1.105 . . . . 0.0 110.126 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -101.1 46.09 0.95 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.231 1.013 . . . . 0.0 111.543 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -166.23 -48.49 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -172.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 36.4 m -105.85 -27.38 11.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.224 2.21 . . . . 0.0 109.531 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 65.08 23.77 12.45 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 110.024 -171.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.25 138.43 33.87 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.147 2.579 . . . . 0.0 108.699 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -87.25 -34.65 18.87 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.777 1.231 . . . . 0.0 110.484 -171.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.14 -26.88 2.37 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.294 1.902 . . . . 0.0 113.948 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.448 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 8.9 p-80 -146.02 -168.97 3.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.249 1.025 . . . . 0.0 109.743 172.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.407 ' CH2' ' C4 ' ' A' ' 3' ' ' ' DG' . 0.1 OUTLIER -136.67 166.61 23.16 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 124.751 1.22 . . . . 0.0 109.941 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -57.32 -29.6 64.08 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -52.02 -52.41 50.96 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 124.355 1.062 . . . . 0.0 111.923 172.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.81 -32.08 18.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 127.206 2.203 . . . . 0.0 112.053 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 50.7 t -27.23 112.0 0.23 Allowed Pre-proline 0 N--CA 1.445 -0.679 0 C-N-CA 128.637 2.775 . . . . 0.0 115.29 -168.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.448 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 76.7 Cg_endo -71.9 -25.37 19.97 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 124.41 3.407 . . . . 0.0 112.546 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -80.4 -18.88 47.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.487 0.585 . . . . 0.0 111.57 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -68.11 143.25 95.85 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.291 1.036 . . . . 0.0 109.546 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.29 131.34 12.75 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.033 2.489 . . . . 0.0 109.05 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -137.4 160.71 38.31 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.079 1.352 . . . . 0.0 109.197 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.54 162.92 53.41 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.88 160.51 49.17 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.667 2.912 . . . . 0.0 111.196 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -80.9 73.1 7.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.652 0.781 . . . . 0.0 109.334 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.28 -178.77 19.3 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.472 1.511 . . . . 0.0 109.525 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -88.27 50.05 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 124.248 3.298 . . . . 0.0 107.499 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.88 151.72 84.44 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.556 -168.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.22 150.77 24.18 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.394 2.729 . . . . 0.0 112.676 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.3 -39.97 94.98 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.45 0.7 . . . . 0.0 110.223 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.084 1.354 . . . . 0.0 108.63 176.315 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.62 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.538 3.323 1 C4'-C3'-C2' 97.857 -5.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.252 1 O4'-C1'-N19 114.013 7.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.022 2 C5'-C4'-C3' 108.399 -4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 4 O4'-C1'-N19 112.776 6.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 0 P-O3'-C3' 122.903 2.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 CA-C-O 119.715 -0.492 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 67.31 99.45 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.807 1.643 . . . . 0.0 111.329 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -66.85 -58.44 5.02 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.268 0.627 . . . . 0.0 110.348 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 56.1 -120.51 1.5 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.819 1.247 . . . . 0.0 109.927 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -139.94 167.95 20.93 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.82 1.648 . . . . 0.0 107.861 172.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 42.2 p -78.41 61.86 2.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.529 1.132 . . . . 0.0 111.036 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.84 174.0 11.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.633 1.173 . . . . 0.0 110.178 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.56 82.44 1.73 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 171.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -72.14 -176.25 1.73 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.199 1.4 . . . . 0.0 111.938 -169.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -54.25 -52.07 62.53 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.823 1.249 . . . . 0.0 109.075 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.98 -57.25 11.35 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.472 2.309 . . . . 0.0 115.256 -176.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.45 165.78 13.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -167.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.81 135.78 57.52 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.282 1.033 . . . . 0.0 112.315 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.62 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -83.49 46.22 1.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.781 1.632 . . . . 0.0 112.475 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -168.85 -51.67 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -172.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.9 m -113.12 -28.99 7.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.346 1.858 . . . . 0.0 110.487 -170.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 56.02 3.14 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 125.756 1.623 . . . . 0.0 109.382 -169.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -94.73 167.16 11.62 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.342 1.857 . . . . 0.0 111.035 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -34.52 -56.79 0.52 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 128.978 2.911 . . . . 0.0 113.867 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.44 56.03 0.29 Allowed Glycine 0 C--N 1.341 0.809 0 C-N-CA 121.108 -0.568 . . . . 0.0 114.506 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -148.28 169.21 20.6 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 166.54 18.48 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.897 0.879 . . . . 0.0 110.881 -175.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -60.33 -15.58 26.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -64.8 -59.32 4.36 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.66 0.664 . . . . 0.0 110.285 169.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.57 -27.96 41.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.97 1.708 . . . . 0.0 112.875 -172.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -34.83 126.76 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.377 0 C-N-CA 128.384 2.674 . . . . 0.0 115.302 -168.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.5 -31.67 2.56 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.98 3.12 . . . . 0.0 110.957 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.97 -14.13 60.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.697 0.799 . . . . 0.0 112.191 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -59.87 127.67 85.76 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.926 . . . . 0.0 109.69 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.0 123.75 12.06 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.847 2.365 . . . . 0.0 109.925 -176.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 42.55 41.84 2.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.486 1.915 . . . . 0.0 113.03 -174.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.8 -96.8 0.46 Allowed Glycine 0 CA--C 1.532 1.097 0 CA-C-O 119.097 -0.835 . . . . 0.0 111.667 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -73.78 153.1 48.05 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.668 2.912 . . . . 0.0 111.308 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -52.78 127.23 22.63 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.439 1.095 . . . . 0.0 110.931 -177.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.99 -160.08 24.86 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -85.47 58.7 4.88 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 124.456 3.438 . . . . 0.0 106.843 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -68.97 152.58 96.75 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.923 -168.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.08 -48.96 19.02 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.894 3.062 . . . . 0.0 112.646 169.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 62.08 177.45 0.13 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.513 1.525 . . . . 0.0 111.846 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.16 -1.4 . . . . 0.0 108.379 -176.803 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.642 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.539 3.522 1 C4'-C3'-C2' 97.378 -5.822 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.416 ' C5 ' ' C2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.41 -3.318 1 O4'-C1'-N19 114.555 8.444 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.416 ' C2 ' ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.595 2 O4'-C1'-N19 111.243 4.304 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.818 4 O4'-C1'-N19 114.371 8.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 P-O3'-C3' 123.431 3.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 N-CA-C 112.006 -0.438 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.39 154.7 41.61 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.35 0.66 . . . . 0.0 109.988 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.86 166.35 7.43 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.113 0.965 . . . . 0.0 110.425 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -59.85 148.11 35.92 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.487 0.315 . . . . 0.0 110.875 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -105.41 177.05 4.96 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.433 1.093 . . . . 0.0 108.511 170.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -76.14 70.72 2.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.04 0.936 . . . . 0.0 109.792 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -158.88 -173.14 4.1 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.988 0.915 . . . . 0.0 110.764 -173.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -60.15 3.53 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.043 1.737 . . . . 0.0 113.012 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 57.41 -150.94 0.43 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.517 1.527 . . . . 0.0 110.46 -172.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -87.21 -35.13 18.72 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 123.692 0.797 . . . . 0.0 111.674 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.33 -56.84 13.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.158 1.383 . . . . 0.0 112.884 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -101.47 168.0 9.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.908 0.883 . . . . 0.0 113.364 -168.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 39.9 t -60.1 131.04 49.59 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 123.901 0.88 . . . . 0.0 111.618 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.642 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -77.63 48.47 0.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.876 1.67 . . . . 0.0 112.202 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -169.91 -53.21 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -170.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.2 m -119.47 -27.6 5.52 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 125.676 1.591 . . . . 0.0 111.183 -169.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.69 55.45 2.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 126.484 1.914 . . . . 0.0 110.831 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.04 165.82 17.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.289 1.435 . . . . 0.0 110.265 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -35.74 -57.55 0.65 Allowed 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 128.343 2.657 . . . . 0.0 113.943 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 50.65 0.5 Allowed Glycine 0 C--N 1.341 0.853 0 CA-C-O 119.482 -0.621 . . . . 0.0 114.486 -169.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -145.61 169.63 18.05 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 167.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.68 166.71 21.99 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.887 0.875 . . . . 0.0 111.318 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -62.08 -13.85 30.55 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.913 0.779 . . . . 0.0 112.517 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.33 -59.16 3.96 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.976 0.91 . . . . 0.0 109.93 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -23.98 37.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.893 2.077 . . . . 0.0 113.716 -169.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 18.8 t -31.64 113.66 0.35 Allowed Pre-proline 0 N--CA 1.448 -0.543 0 C-N-CA 127.954 2.502 . . . . 0.0 115.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.25 -24.11 1.72 Allowed 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 124.076 3.184 . . . . 0.0 111.518 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -66.03 -45.51 81.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.799 1.24 . . . . 0.0 108.192 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -68.73 153.93 95.31 Favored Pre-proline 0 N--CA 1.446 -0.671 0 C-N-CA 128.105 2.562 . . . . 0.0 109.088 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.17 65.25 8.91 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.942 2.428 . . . . 0.0 109.139 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -155.55 50.6 0.56 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.885 1.674 . . . . 0.0 107.944 -174.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.97 -80.31 0.05 OUTLIER Glycine 0 CA--C 1.529 0.912 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -76.59 67.66 7.16 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 124.12 3.213 . . . . 0.0 109.367 174.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -155.17 98.38 2.0 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -172.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.7 58.15 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 108.637 -1.785 . . . . 0.0 108.637 -171.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.32 0.1 OUTLIER 32.58 55.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.996 1 C-N-CA 128.055 5.837 . . . . 0.0 110.535 -174.913 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 39.14 99.36 0.03 OUTLIER Pre-proline 0 N--CA 1.43 -1.444 2 C-N-CA 132.189 4.195 . . . . 0.0 112.484 -168.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -82.94 56.73 5.73 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.555 2.837 . . . . 0.0 109.638 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 49.51 73.43 0.24 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.157 1.783 . . . . 0.0 111.406 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.55 -1.214 . . . . 0.0 107.748 173.343 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.591 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.537 3.259 1 C4'-C3'-C2' 98.153 -5.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.143 1 O4'-C1'-N19 114.26 8.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.401 ' C4 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 0 C5'--C4' 1.54 3.641 1 C5'-C4'-C3' 107.204 -4.998 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.542 4 O4'-C1'-N19 114.527 8.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.12 0 C4'-C3'-C2' 100.408 -2.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 111.984 -0.447 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 62.32 -98.47 0.07 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.449 1.499 . . . . 0.0 111.112 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 60.55 -81.3 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.775 2.03 . . . . 0.0 111.698 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -89.32 -45.75 9.27 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.302 1.041 . . . . 0.0 109.81 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -94.99 87.28 4.88 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.543 0.737 . . . . 0.0 111.487 -169.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t -95.99 -96.08 0.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 169.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -147.23 156.83 43.29 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.869 1.267 . . . . 0.0 107.599 169.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 39.48 51.44 2.21 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.024 1.73 . . . . 0.0 112.123 -177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -87.17 -178.29 6.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.312 1.045 . . . . 0.0 111.223 -169.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -72.27 -23.92 61.27 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.222 169.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.19 -56.23 12.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.478 0.711 . . . . 0.0 111.294 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -82.27 151.87 26.59 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.138 1.375 . . . . 0.0 114.329 -168.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.48 134.72 57.19 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.591 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -62.61 -33.47 75.06 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -86.82 -53.84 4.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.032 2.133 . . . . 0.0 111.16 -171.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.52 -35.91 7.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.409 1.884 . . . . 0.0 110.761 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.0 47.53 19.65 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.099 0.874 . . . . 0.0 109.623 -168.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -82.3 171.54 14.12 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.563 1.145 . . . . 0.0 110.293 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -12.92 -61.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.194 0 C-N-CA 130.629 3.572 . . . . 0.0 115.459 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.21 -0.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.44 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.41 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 1.8 p-80 -75.79 168.86 19.25 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 120.179 1.99 . . . . 0.0 108.488 169.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.401 ' CH2' ' C4 ' ' A' ' 3' ' ' ' DG' . 0.0 OUTLIER -125.67 170.19 11.78 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 124.039 0.936 . . . . 0.0 111.492 -176.549 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -56.84 -28.23 61.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.39 0.541 . . . . 0.0 111.124 175.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -68.01 -42.56 80.5 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.458 0.703 . . . . 0.0 112.797 172.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -100.16 22.7 11.01 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.732 1.213 . . . . 0.0 110.397 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.63 120.95 84.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 O-C-N 121.596 -0.69 . . . . 0.0 111.533 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 41.7 Cg_endo -83.18 -28.67 1.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 124.595 3.53 . . . . 0.0 112.532 177.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.28 72.59 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.635 0.774 . . . . 0.0 109.639 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -65.18 163.86 27.82 Favored Pre-proline 0 N--CA 1.438 -1.035 0 C-N-CA 125.722 1.609 . . . . 0.0 109.902 171.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -43.18 -44.95 9.83 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 124.806 3.67 . . . . 0.0 114.327 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 72.4 -67.9 0.24 Allowed 'General case' 0 C--N 1.343 0.302 0 C-N-CA 126.719 2.008 . . . . 0.0 109.852 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.32 -163.05 23.64 Favored Glycine 0 CA--C 1.533 1.156 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 170.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -78.17 68.48 7.87 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.763 2.975 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -79.07 126.01 30.15 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.438 1.095 . . . . 0.0 109.157 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.19 -179.61 48.46 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -95.2 44.33 0.17 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 124.972 3.782 . . . . 0.0 106.613 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -62.55 -41.94 76.33 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-O 117.831 -1.081 . . . . 0.0 113.457 -168.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.16 123.14 13.13 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.686 2.257 . . . . 0.0 111.332 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -82.89 65.81 8.2 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.808 0.843 . . . . 0.0 109.353 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.664 -178.683 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.55 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.535 3.023 1 C4'-C3'-C2' 98.671 -4.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.935 1 O4'-C1'-N19 114.401 8.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 1 O4'-C1'-N19 111.82 5.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.312 4 O4'-C1'-N19 113.215 6.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 0 P-O3'-C3' 122.854 2.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -77.56 82.73 3.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.695 0.798 . . . . 0.0 110.297 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -80.08 57.15 2.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.516 0.726 . . . . 0.0 109.271 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -71.84 -56.32 5.95 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.497 1.119 . . . . 0.0 107.997 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -81.63 81.24 7.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 168.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -74.85 -94.46 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -150.57 157.95 43.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.909 1.684 . . . . 0.0 106.599 169.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 42.82 46.87 4.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.248 1.419 . . . . 0.0 112.211 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.87 -171.0 3.13 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.151 0.581 . . . . 0.0 110.397 -172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -59.71 -57.35 13.29 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.306 1.043 . . . . 0.0 109.268 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.97 -46.98 84.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.056 2.142 . . . . 0.0 114.253 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -70.5 156.15 39.76 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -169.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.66 123.41 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 169.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -63.35 -35.14 79.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.278 0.631 . . . . 0.0 112.504 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -75.83 -50.92 13.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.808 1.643 . . . . 0.0 111.598 -169.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 11.9 p -137.87 -3.84 1.8 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.657 1.183 . . . . 0.0 113.167 -169.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 55.5 3.4 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.583 1.553 . . . . 0.0 112.659 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.31 -145.46 0.08 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.437 1.495 . . . . 0.0 111.858 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -82.52 -66.53 0.88 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.814 1.646 . . . . 0.0 111.741 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.88 58.63 0.43 Allowed Glycine 0 C--N 1.342 0.875 0 CA-C-O 120.266 -0.186 . . . . 0.0 112.924 -169.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -151.11 -174.19 4.73 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 168.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.14 168.05 20.11 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.429 0.692 . . . . 0.0 111.347 -176.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -55.77 -35.88 66.74 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 118.311 0.505 . . . . 0.0 111.524 -177.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -51.58 -49.56 61.85 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.229 1.012 . . . . 0.0 111.847 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -98.68 5.73 47.48 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.028 1.731 . . . . 0.0 112.108 -169.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.99 123.24 68.1 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 118.329 0.513 . . . . 0.0 111.989 -168.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.72 -27.48 3.98 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 125.011 3.807 . . . . 0.0 112.572 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -71.29 -43.12 67.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.554 2.342 . . . . 0.0 109.569 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -55.25 145.0 48.58 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 126.837 2.055 . . . . 0.0 109.403 172.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.26 -27.48 1.17 Allowed 'Trans proline' 0 CA--C 1.535 0.536 1 C-N-CA 125.725 4.283 . . . . 0.0 116.713 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 78.15 -56.32 0.48 Allowed 'General case' 0 C--N 1.342 0.267 0 C-N-CA 126.64 1.976 . . . . 0.0 111.221 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.42 64.52 2.6 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.217 0.913 . . . . 0.0 110.863 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -70.12 -42.33 3.12 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.266 2.644 . . . . 0.0 111.423 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 61.33 84.89 0.13 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.273 1.429 . . . . 0.0 112.038 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.71 173.56 43.28 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -97.91 51.84 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.018 1 C-N-CA 125.326 4.017 . . . . 0.0 106.207 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -65.75 144.7 98.96 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.438 -168.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -68.61 -39.23 9.42 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.913 2.409 . . . . 0.0 109.885 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -80.83 179.25 7.91 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.547 1.139 . . . . 0.0 110.138 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 C--O 1.251 1.14 0 CA-C-O 116.603 -1.665 . . . . 0.0 111.707 178.048 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.591 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.537 3.219 2 O4'-C1'-N19 112.974 6.468 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.43 2 O4'-C1'-N19 114.519 8.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.936 2 O4'-C1'-N19 114.569 8.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.477 ' C6 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 1 P--O5' 1.635 4.202 5 O4'-C1'-N19 116.665 11.081 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.927 0 C4'-C3'-C2' 101.344 -1.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.135 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -66.35 154.06 41.05 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.476 0.71 . . . . 0.0 110.624 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 76.31 -55.3 0.59 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 127.155 2.182 . . . . 0.0 111.213 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -76.18 69.85 2.77 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.383 1.073 . . . . 0.0 109.762 172.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 39.6 mtm105 -140.98 -179.69 6.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.472 1.909 . . . . 0.0 108.663 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.7 t -65.36 124.71 22.96 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 168.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -71.88 176.1 5.26 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.01 0.524 . . . . 0.0 111.441 -172.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 pp 32.62 84.37 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.264 2.626 . . . . 0.0 113.332 -174.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -65.87 -174.26 0.22 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.77 0.795 . . . . 0.0 110.411 170.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -48.43 -75.73 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.227 1.811 . . . . 0.0 111.601 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.93 -15.89 62.65 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -70.66 158.98 35.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.001 1.273 . . . . 0.0 112.745 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 t -73.64 143.04 46.46 Favored 'General case' 0 C--N 1.346 0.413 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -89.0 29.69 1.02 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.71 1.204 . . . . 0.0 112.174 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -152.38 -55.48 0.13 Allowed 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.76 0.824 . . . . 0.0 108.951 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.55 -19.15 13.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 125.048 1.339 . . . . 0.0 111.163 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt 62.93 39.13 10.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.154 0.982 . . . . 0.0 108.457 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 171.92 9.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.253 1.421 . . . . 0.0 113.334 -168.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -26.91 -54.95 0.08 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 129.827 3.251 . . . . 0.0 113.057 169.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.65 21.29 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.513 -1.159 . . . . 0.0 112.897 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.449 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 0.1 OUTLIER -82.41 168.54 17.39 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 119.028 1.414 . . . . 0.0 107.419 169.209 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.477 ' CH2' ' C6 ' ' A' ' 4' ' ' ' DC' . 0.0 OUTLIER -115.71 170.44 8.45 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 123.503 0.721 . . . . 0.0 112.864 -174.407 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -68.24 -37.77 81.14 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 177.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -47.12 -50.83 19.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 128.459 2.704 . . . . 0.0 111.083 168.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -88.2 -33.51 18.12 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.899 2.08 . . . . 0.0 113.102 -170.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -26.02 103.74 0.14 Allowed Pre-proline 0 N--CA 1.446 -0.67 0 C-N-CA 130.631 3.572 . . . . 0.0 114.69 -167.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.449 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 37.1 Cg_endo -86.16 -15.0 4.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.849 3.7 . . . . 0.0 111.206 171.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -66.82 -36.09 81.56 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.57 1.948 . . . . 0.0 108.954 171.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -70.24 144.76 92.68 Favored Pre-proline 0 CA--C 1.538 0.482 0 C-N-CA 125.591 1.556 . . . . 0.0 106.878 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -72.8 -33.53 7.9 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.77 2.313 . . . . 0.0 111.639 -176.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 76.89 -58.38 0.51 Allowed 'General case' 0 C--N 1.341 0.209 0 C-N-CA 127.225 2.21 . . . . 0.0 111.426 175.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.48 67.11 2.03 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.16 -40.26 11.74 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 123.362 2.708 . . . . 0.0 111.427 -177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -153.54 102.32 2.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.95 74.55 0.22 Allowed Glycine 0 CA--C 1.528 0.859 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -86.63 56.54 3.53 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 124.283 3.322 . . . . 0.0 107.378 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.8 tpt85 -59.45 -42.95 95.07 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 117.779 -1.105 . . . . 0.0 113.438 -168.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.19 110.95 0.67 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.964 2.442 . . . . 0.0 111.26 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 54.77 54.39 9.2 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.804 1.242 . . . . 0.0 110.827 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.405 175.08 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.621 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.535 3.053 1 C4'-C3'-C2' 98.408 -4.792 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.114 1 O4'-C1'-N19 113.765 7.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.435 2 C5'-C4'-C3' 108.126 -4.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.96 2 O4'-C1'-N19 116.253 10.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 O4'-C1'-N19 109.153 1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -155.57 135.69 12.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.252 1.021 . . . . 0.0 108.341 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -82.71 57.7 3.91 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.006 0.922 . . . . 0.0 110.288 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -170.92 -70.4 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.56 1.544 . . . . 0.0 107.372 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -173.74 146.49 1.27 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.014 1.725 . . . . 0.0 106.934 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -59.49 109.75 0.96 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.395 0.678 . . . . 0.0 109.728 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -69.32 172.95 6.29 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.683 0.754 . . . . 0.0 112.991 -174.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.32 38.83 25.96 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.554 1.542 . . . . 0.0 112.135 176.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -78.36 -174.78 3.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.82 1.248 . . . . 0.0 110.115 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -80.09 -23.67 41.12 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 123.662 0.785 . . . . 0.0 110.046 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -68.23 -62.68 1.29 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 110.646 174.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -98.46 166.46 11.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.697 1.199 . . . . 0.0 113.06 -169.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.68 159.05 7.06 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.423 1.889 . . . . 0.0 113.349 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.628 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -101.39 -38.58 7.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.294 1.838 . . . . 0.0 111.355 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -75.46 -53.92 7.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.451 1.501 . . . . 0.0 111.033 -172.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -123.61 -17.27 6.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.905 1.682 . . . . 0.0 111.252 -170.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.66 39.28 2.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.958 0.503 . . . . 0.0 111.641 169.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.67 169.58 16.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.861 0.864 . . . . 0.0 112.373 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -14.73 -66.82 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 130.718 3.607 . . . . 0.0 115.968 172.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.44 -7.3 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 114.302 -169.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.457 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 1.4 p-80 -72.45 177.07 4.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.096 1.948 . . . . 0.0 108.649 169.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.52 173.35 7.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.293 0.637 . . . . 0.0 111.729 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.09 -31.95 73.41 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -45.75 -45.99 14.87 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.635 2.374 . . . . 0.0 111.907 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -103.55 -21.23 13.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.758 2.023 . . . . 0.0 113.218 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' CYS . . . . . 0.433 ' HB3' ' HB2' ' B' ' 42' ' ' LYS . 17.1 t -38.03 120.58 1.01 Allowed Pre-proline 0 N--CA 1.446 -0.644 0 C-N-CA 126.68 1.992 . . . . 0.0 115.228 -167.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.457 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 44.0 Cg_endo -80.03 -29.03 2.84 Favored 'Trans proline' 0 N--CA 1.451 -1.02 1 C-N-CA 125.654 4.236 . . . . 0.0 112.307 177.413 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.889 1.276 . . . . 0.0 110.112 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' B' ' 39' ' ' CYS . 0.2 OUTLIER -52.04 149.14 9.78 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 127.657 2.383 . . . . 0.0 111.04 -178.524 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -49.06 -36.22 34.83 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 124.527 3.485 . . . . 0.0 113.979 170.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 75.76 -55.39 0.61 Allowed 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.009 2.124 . . . . 0.0 111.592 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.46 76.18 0.89 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -54.48 -50.63 12.78 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 123.947 3.098 . . . . 0.0 112.582 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 66.52 -74.09 0.07 Allowed 'General case' 0 C--N 1.342 0.25 0 C-N-CA 126.746 2.019 . . . . 0.0 112.391 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.18 -169.62 16.28 Favored Glycine 0 CA--C 1.532 1.126 0 N-CA-C 108.23 -1.948 . . . . 0.0 108.23 -169.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -87.85 48.14 1.5 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 124.136 3.224 . . . . 0.0 107.674 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.89 140.18 70.39 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-O 119.046 -0.502 . . . . 0.0 110.706 -169.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.5 -42.5 2.6 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.73 2.286 . . . . 0.0 109.312 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -77.88 -175.57 4.05 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.976 1.31 . . . . 0.0 110.644 172.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.966 172.597 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.475 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.536 3.091 2 O4'-C1'-N19 111.838 5.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.191 1 O4'-C1'-N19 114.703 8.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 2 C5'-C4'-C3' 107.409 -4.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.308 4 O4'-C1'-N19 113.254 6.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 P-O3'-C3' 122.893 2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -82.57 82.24 8.05 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.32 0.648 . . . . 0.0 111.34 -169.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 57.34 -156.48 0.31 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.865 1.266 . . . . 0.0 111.229 169.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -61.71 124.88 21.95 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 169.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.62 88.19 0.11 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.881 1.272 . . . . 0.0 110.491 -173.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.4 t -67.02 -50.18 62.9 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.527 0.731 . . . . 0.0 109.703 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -152.07 -82.66 0.09 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.05 61.62 6.89 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.658 1.183 . . . . 0.0 108.022 169.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t70 76.34 -170.0 0.08 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.973 2.109 . . . . 0.0 110.247 -169.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -127.05 -61.79 1.15 Allowed 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 127.46 2.304 . . . . 0.0 106.778 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.77 -39.07 84.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.895 2.078 . . . . 0.0 112.883 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -66.25 155.11 38.07 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.157 0.435 . . . . 0.0 111.077 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.38 123.67 16.26 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.752 170.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.475 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -60.82 -29.59 69.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.508 -0.745 . . . . 0.0 112.824 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -82.41 -54.71 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.398 1.479 . . . . 0.0 111.788 -169.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.06 -18.23 5.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.047 1.739 . . . . 0.0 111.746 -170.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 69.73 37.51 1.85 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.913 0.885 . . . . 0.0 112.47 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -78.23 163.11 26.06 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 168.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -52.37 6.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.68 1.592 . . . . 0.0 111.575 -169.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.97 -50.87 49.79 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.205 1.383 . . . . 0.0 113.272 -169.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -101.67 -172.02 2.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.76 0.424 . . . . 0.0 110.092 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.39 171.65 13.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.425 1.09 . . . . 0.0 110.658 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' B' ' 27' ' ' ALA . . . -65.42 -21.02 66.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.652 0.66 . . . . 0.0 110.367 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -62.38 -34.5 76.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 125.274 1.43 . . . . 0.0 111.113 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -123.36 16.14 9.74 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.098 2.159 . . . . 0.0 112.91 -170.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 28.7 t -66.33 131.34 94.28 Favored Pre-proline 0 CA--C 1.536 0.442 0 O-C-N 120.779 -1.201 . . . . 0.0 111.215 -169.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.87 -20.49 10.31 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.174 3.249 . . . . 0.0 111.07 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -70.29 -31.25 68.51 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.246 1.018 . . . . 0.0 110.828 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -67.22 150.96 97.61 Favored Pre-proline 0 N--CA 1.448 -0.569 0 C-N-CA 125.006 1.322 . . . . 0.0 110.777 -171.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -44.02 126.35 6.07 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 124.462 3.441 . . . . 0.0 111.364 169.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -158.28 155.11 28.28 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.07 0.948 . . . . 0.0 109.618 -169.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.77 -179.8 47.57 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.83 148.66 65.1 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.672 2.915 . . . . 0.0 110.258 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.72 78.87 7.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.63 176.15 27.12 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.222 1.391 . . . . 0.0 110.3 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.36 55.91 2.99 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 124.445 3.43 . . . . 0.0 107.109 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -71.03 139.96 85.57 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -168.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.29 156.42 54.97 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.132 2.555 . . . . 0.0 110.489 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -153.18 79.96 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.163 -1.399 . . . . 0.0 108.645 -178.001 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.561 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.537 3.23 1 C4'-C3'-C2' 97.636 -5.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 2 O4'-C1'-N19 114.476 8.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.477 4.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.057 4 O4'-C1'-N19 114.654 8.567 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 P-O3'-C3' 123.745 3.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.092 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -52.53 8.0 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.431 1.892 . . . . 0.0 112.183 169.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -169.66 -42.52 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.731 1.613 . . . . 0.0 108.868 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -162.49 143.71 10.29 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.816 0.846 . . . . 0.0 110.277 169.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 90.16 49.41 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 127.758 2.423 . . . . 0.0 111.915 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t -173.02 161.82 4.48 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 127.503 2.321 . . . . 0.0 107.604 169.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -65.88 171.31 4.5 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 45.86 52.89 9.41 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.114 1.765 . . . . 0.0 111.212 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.2 164.25 19.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -168.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -77.37 72.09 3.89 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 127.816 2.447 . . . . 0.0 107.33 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.77 -55.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.896 2.478 . . . . 0.0 108.758 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -103.72 168.67 8.99 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 126.059 1.744 . . . . 0.0 112.462 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 46.7 t -63.19 149.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.394 1.078 . . . . 0.0 111.578 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -103.52 -7.5 20.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.609 1.164 . . . . 0.0 113.555 -174.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -108.82 -51.6 2.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.628 1.571 . . . . 0.0 108.072 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -122.5 -16.79 7.19 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.762 2.025 . . . . 0.0 111.665 -170.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 mptt 59.57 43.54 15.8 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.124 1.37 . . . . 0.0 111.017 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.14 174.71 4.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.058 1.343 . . . . 0.0 113.672 -177.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -49.02 -62.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 127.733 2.413 . . . . 0.0 113.089 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.13 58.29 0.4 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 117.667 0.212 . . . . 0.0 113.593 -169.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -149.41 -177.75 6.03 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 168.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.67 173.3 8.62 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.656 1.182 . . . . 0.0 111.12 -174.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.05 -39.78 93.79 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -44.29 -36.26 2.68 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 128.37 2.668 . . . . 0.0 112.268 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.99 9.07 9.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.645 1.578 . . . . 0.0 112.883 -169.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 49.9 t -67.79 128.32 93.43 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 119.622 1.101 . . . . 0.0 111.661 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -79.57 -25.69 5.33 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.811 3.674 . . . . 0.0 111.13 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -70.75 -37.94 73.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.078 0.551 . . . . 0.0 109.837 175.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -65.88 135.02 95.23 Favored Pre-proline 0 N--CA 1.45 -0.438 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.52 87.99 0.77 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.128 2.552 . . . . 0.0 111.064 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -78.41 68.3 4.38 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.727 1.211 . . . . 0.0 109.158 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.62 -176.72 49.49 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.709 0.671 . . . . 0.0 111.718 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.57 107.38 1.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.86 3.04 . . . . 0.0 109.801 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 70.22 -72.6 0.11 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.992 2.117 . . . . 0.0 110.894 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.57 -159.88 34.79 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -93.47 40.85 0.23 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 124.447 3.431 . . . . 0.0 106.442 171.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -72.72 131.75 83.94 Favored Pre-proline 0 N--CA 1.445 -0.719 0 C-N-CA 123.184 0.593 . . . . 0.0 110.579 -167.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.2 -45.71 2.65 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.752 2.301 . . . . 0.0 110.315 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 56.39 47.4 19.05 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.241 1.416 . . . . 0.0 110.99 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.252 1.23 0 CA-C-O 117.154 -1.403 . . . . 0.0 108.357 178.787 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.503 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.536 3.07 2 O4'-C1'-N19 111.528 4.66 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.281 1 O4'-C1'-N19 114.463 8.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 1 C5'-C4'-C3' 108.101 -4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 4 O4'-C1'-N19 113.12 6.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 1 O5'-C5'-C4' 116.283 4.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -155.53 148.72 24.69 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.256 1.022 . . . . 0.0 108.392 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -74.99 71.01 2.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.371 1.068 . . . . 0.0 108.97 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -153.56 82.04 1.17 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.2 1.0 . . . . 0.0 108.826 -168.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -156.94 133.08 9.7 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.104 0.962 . . . . 0.0 108.723 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.5 t -160.36 -65.81 0.07 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.087 0.955 . . . . 0.0 109.173 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -84.34 179.25 7.49 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.042 0.937 . . . . 0.0 111.458 -174.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.02 67.82 0.83 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 127.057 2.143 . . . . 0.0 112.741 174.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -132.9 -154.25 0.6 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.021 1.329 . . . . 0.0 109.304 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -70.62 -37.18 73.8 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 123.476 0.71 . . . . 0.0 111.052 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -49.75 -36.17 24.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.794 2.038 . . . . 0.0 112.776 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -129.36 164.15 24.21 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.509 1.124 . . . . 0.0 111.465 -171.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.4 55.7 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.939 0.896 . . . . 0.0 109.726 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.503 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -70.04 -25.12 63.41 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -87.73 -59.37 2.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.084 1.354 . . . . 0.0 111.509 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 p -119.78 -12.34 9.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 126.217 1.807 . . . . 0.0 112.845 -168.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt 81.79 12.96 0.62 Allowed 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.068 0.947 . . . . 0.0 112.97 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.16 145.22 46.5 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.095 0.958 . . . . 0.0 109.482 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.31 -37.34 12.69 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.006 1.322 . . . . 0.0 110.471 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -26.1 9.95 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.582 1.563 . . . . 0.0 113.861 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -139.81 -162.85 1.4 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.258 1.023 . . . . 0.0 109.588 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.54 173.04 12.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.304 1.442 . . . . 0.0 110.063 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.06 -27.66 68.94 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.632 0.651 . . . . 0.0 109.74 -178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -49.53 -40.8 39.21 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.28 2.232 . . . . 0.0 111.46 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.42 16.49 10.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.131 2.173 . . . . 0.0 112.855 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -73.47 126.02 90.24 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 121.303 -0.873 . . . . 0.0 112.062 -169.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.1 -23.61 11.89 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.777 2.985 . . . . 0.0 110.768 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -67.0 -38.27 85.71 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -71.3 138.9 84.21 Favored Pre-proline 0 N--CA 1.443 -0.775 0 C-N-CA 124.969 1.308 . . . . 0.0 110.133 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.46 110.68 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 124.351 3.367 . . . . 0.0 110.451 169.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 53.72 55.13 8.89 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.721 1.208 . . . . 0.0 111.338 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.32 -71.27 1.11 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -67.9 111.5 2.43 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.841 2.361 . . . . 0.0 108.538 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 66.08 106.76 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.079 1.752 . . . . 0.0 110.896 -170.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.71 176.64 19.98 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.511 1.053 . . . . 0.0 111.943 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.316 0.2 OUTLIER 29.61 55.35 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 1 C-N-CA 128.599 6.199 . . . . 0.0 112.561 175.697 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 30.86 142.63 0.0 OUTLIER Pre-proline 0 N--CA 1.437 -1.11 2 C-N-CA 135.425 5.49 . . . . 0.0 118.282 -169.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -76.51 -157.49 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.909 3.073 . . . . 0.0 109.575 169.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -51.22 -39.26 56.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.931 1.292 . . . . 0.0 112.187 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.005 0 C-N-CA 124.964 1.306 . . . . 0.0 109.834 175.651 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.562 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.534 2.913 1 C4'-C3'-C2' 98.614 -4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 2 O4'-C1'-N19 115.047 9.058 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 1 O4'-C1'-N19 111.876 5.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 4 O4'-C1'-N19 113.542 7.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -153.84 -67.44 0.14 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.086 0.955 . . . . 0.0 108.687 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 50.11 43.92 25.87 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.54 1.536 . . . . 0.0 111.376 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.5 ttm105 -167.0 -103.76 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -172.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -150.03 124.4 9.58 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.608 1.163 . . . . 0.0 108.804 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.2 t -54.35 -33.69 59.58 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.846 1.258 . . . . 0.0 112.03 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -58.98 168.82 1.18 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.27 1.428 . . . . 0.0 112.207 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.24 57.64 0.77 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.821 1.648 . . . . 0.0 107.61 173.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -52.67 -86.23 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 126.811 2.044 . . . . 0.0 113.752 -169.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -143.47 -59.42 0.41 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.47 1.108 . . . . 0.0 108.404 -169.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.73 -57.53 11.63 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.847 2.459 . . . . 0.0 113.888 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -86.21 165.78 16.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -168.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -55.91 162.02 2.01 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 124.568 1.147 . . . . 0.0 110.406 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -110.25 -41.25 4.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.897 1.279 . . . . 0.0 111.372 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.56 -43.85 88.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.79 1.236 . . . . 0.0 111.093 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.59 -14.48 1.45 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.765 1.626 . . . . 0.0 112.404 -172.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.21 32.77 20.96 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.866 1.266 . . . . 0.0 113.614 174.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.5 177.11 4.2 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -175.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -22.12 -81.81 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.208 1 C-N-CA 132.312 4.245 . . . . 0.0 116.203 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.12 49.48 0.6 Allowed Glycine 0 C--N 1.341 0.811 0 CA-C-N 117.893 0.315 . . . . 0.0 113.756 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -139.94 -171.77 3.25 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 167.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.26 170.57 14.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.431 1.092 . . . . 0.0 111.223 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.662 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -64.59 -40.72 96.02 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -49.77 -25.33 2.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.524 2.329 . . . . 0.0 112.331 168.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -128.79 21.19 5.94 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.428 1.491 . . . . 0.0 111.979 -173.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 t -77.9 123.7 86.29 Favored Pre-proline 0 CA--C 1.535 0.392 0 O-C-N 120.828 -1.17 . . . . 0.0 110.452 -169.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.64 -26.42 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.208 3.272 . . . . 0.0 111.859 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -69.98 -31.38 69.05 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.188 0.995 . . . . 0.0 111.399 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -52.49 131.56 44.71 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 124.203 1.001 . . . . 0.0 110.374 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -62.49 118.67 5.57 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.089 2.526 . . . . 0.0 109.479 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 53.25 65.47 1.51 Allowed 'General case' 0 C--N 1.341 0.197 0 C-N-CA 125.054 1.342 . . . . 0.0 108.83 -169.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.2 162.0 36.88 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.855 -174.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -58.87 -54.14 3.09 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 124.189 3.259 . . . . 0.0 110.001 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -71.55 163.99 26.7 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.261 0.625 . . . . 0.0 110.785 171.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.79 177.9 15.36 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.879 1.228 . . . . 0.0 110.928 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -88.13 64.54 3.42 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 124.452 3.434 . . . . 0.0 106.818 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -46.63 -48.7 48.46 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -169.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -75.96 75.95 3.94 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.212 1.942 . . . . 0.0 109.985 174.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -122.12 42.46 3.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.792 1.637 . . . . 0.0 109.597 176.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.808 -1.568 . . . . 0.0 109.269 -178.36 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.586 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.534 2.822 1 C4'-C3'-C2' 98.544 -4.656 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.191 1 O4'-C1'-N19 113.986 7.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.411 ' C4 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 0 C5'--C4' 1.537 3.194 2 C5'-C4'-C3' 107.178 -5.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 3 O4'-C1'-N19 114.899 8.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 P-O3'-C3' 123.609 3.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.208 0 CA-C-O 119.531 -0.594 . . . . 0.0 112.658 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -90.23 -75.36 0.46 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.437 0.695 . . . . 0.0 109.418 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -167.64 -63.77 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.481 1.113 . . . . 0.0 108.816 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -165.18 -40.3 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.658 1.183 . . . . 0.0 110.012 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 74.19 -177.49 0.17 Allowed 'General case' 0 C--N 1.344 0.327 0 C-N-CA 125.106 1.362 . . . . 0.0 109.747 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.0 p -75.15 61.14 1.1 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.791 1.236 . . . . 0.0 110.51 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -77.41 -75.13 0.22 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.564 1.146 . . . . 0.0 108.119 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -154.81 102.46 2.36 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.682 1.193 . . . . 0.0 108.446 170.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -87.52 -165.69 1.37 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.931 1.293 . . . . 0.0 110.312 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -79.54 -30.5 41.78 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 125.657 1.583 . . . . 0.0 109.655 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.86 -63.65 1.19 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.962 1.305 . . . . 0.0 112.341 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -92.25 167.56 11.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.341 1.057 . . . . 0.0 113.542 -168.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 44.9 t -58.28 158.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.638 1.975 . . . . 0.0 111.694 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -106.34 -33.55 7.73 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.514 1.526 . . . . 0.0 111.929 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -75.27 -47.58 27.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.0 1.32 . . . . 0.0 111.981 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 p -126.63 -7.51 6.24 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 125.745 1.618 . . . . 0.0 111.24 -172.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 73.22 15.61 4.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.915 0.886 . . . . 0.0 113.272 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.52 148.45 29.17 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.703 0.801 . . . . 0.0 110.748 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.19 -38.62 17.48 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.792 1.637 . . . . 0.0 110.94 -172.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.34 -18.33 9.73 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.261 1.41 . . . . 0.0 114.575 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -151.08 -165.86 2.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.332 1.066 . . . . 0.0 108.565 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.411 ' CH2' ' C4 ' ' A' ' 3' ' ' ' DG' . 0.0 OUTLIER -134.29 165.57 24.83 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 124.268 1.027 . . . . 0.0 111.67 -176.544 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -53.46 -37.76 62.94 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.091 0.556 . . . . 0.0 111.558 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.347 1.459 . . . . 0.0 111.551 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -105.47 10.3 33.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.247 1.819 . . . . 0.0 112.227 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 42' ' ' LYS . 26.4 t -63.18 123.1 79.21 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.161 0.891 . . . . 0.0 111.685 -169.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -82.09 -21.8 5.42 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 124.445 3.43 . . . . 0.0 111.091 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.74 -44.14 70.84 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.331 1.052 . . . . 0.0 108.693 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 39' ' ' CYS . 64.9 tttp -65.26 142.08 98.38 Favored Pre-proline 0 N--CA 1.447 -0.578 0 C-N-CA 127.191 2.197 . . . . 0.0 110.151 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -44.5 114.07 0.55 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 124.51 3.473 . . . . 0.0 111.69 169.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -81.17 -46.09 15.4 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.014 0.925 . . . . 0.0 110.584 -169.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.42 176.18 45.43 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.05 156.6 55.72 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.702 2.934 . . . . 0.0 110.659 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -81.52 64.3 6.18 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.741 0.816 . . . . 0.0 109.924 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.84 -90.81 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 CA-C-O 117.541 -1.699 . . . . 0.0 109.945 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.288 0.1 OUTLIER 26.08 58.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.903 1 C-N-CA 129.115 6.543 . . . . 0.0 110.965 179.331 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 29.67 101.13 0.02 OUTLIER Pre-proline 0 N--CA 1.434 -1.263 2 C-N-CA 132.471 4.308 . . . . 0.0 113.436 -167.181 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.06 74.89 5.09 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.636 2.891 . . . . 0.0 110.972 -169.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.23 158.33 29.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.1 1.76 . . . . 0.0 106.378 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.547 -1.216 . . . . 0.0 110.028 179.282 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.609 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.538 3.355 2 C4'-C3'-C2' 98.148 -5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.449 ' C5 ' ' C2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.135 1 O4'-C1'-N19 114.011 7.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.449 ' C2 ' ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.965 5.207 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.575 4 O4'-C1'-N19 114.021 7.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 0 C4'-C3'-C2' 100.639 -2.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 CA-C-O 119.427 -0.651 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 81.45 79.16 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.205 1.802 . . . . 0.0 113.058 168.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -162.38 87.82 0.63 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.659 0.784 . . . . 0.0 109.899 169.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 56.24 79.13 0.18 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.042 0.937 . . . . 0.0 111.959 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.26 60.59 5.65 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.308 0.575 . . . . 0.0 110.591 171.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -66.03 -48.04 72.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.181 0.992 . . . . 0.0 108.708 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -134.1 -47.21 0.78 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.76 1.624 . . . . 0.0 109.112 171.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.02 -122.43 0.09 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.761 1.624 . . . . 0.0 109.63 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 170.38 -115.17 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.739 3.216 . . . . 0.0 107.843 173.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.4 -58.41 1.61 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.241 1.417 . . . . 0.0 109.203 -169.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -38.92 92.62 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.042 2.137 . . . . 0.0 114.198 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -94.04 170.91 9.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.554 1.142 . . . . 0.0 112.931 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.91 148.68 29.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.695 0.798 . . . . 0.0 110.599 174.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -106.17 -17.03 14.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.717 1.607 . . . . 0.0 113.0 -175.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -88.95 -58.56 2.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.145 1.378 . . . . 0.0 110.956 -177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.15 -18.36 8.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.103 1.761 . . . . 0.0 112.374 -168.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm 68.6 28.43 5.8 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -95.76 149.23 21.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp 27.5 -94.22 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 130.931 3.692 . . . . 0.0 115.582 169.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.45 69.0 0.28 Allowed Glycine 0 C--N 1.34 0.788 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -153.29 -171.05 3.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.45 1.5 . . . . 0.0 107.657 169.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.41 168.73 15.87 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.377 1.071 . . . . 0.0 110.931 -175.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.01 -39.79 93.97 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -47.37 -34.09 6.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 128.58 2.752 . . . . 0.0 112.472 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -117.85 10.66 13.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.194 1.798 . . . . 0.0 112.281 -172.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.37 123.69 88.9 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.253 -0.905 . . . . 0.0 111.855 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.23 -17.93 5.31 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.299 3.333 . . . . 0.0 112.076 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -70.58 -40.37 73.32 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -80.4 153.92 74.05 Favored Pre-proline 0 N--CA 1.441 -0.915 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 167.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -60.62 17.84 0.04 OUTLIER 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.97 3.78 . . . . 0.0 115.697 169.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 71.87 -53.24 0.69 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 128.096 2.559 . . . . 0.0 111.672 -175.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.16 54.21 9.45 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-O 118.848 -0.973 . . . . 0.0 112.778 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -65.93 134.24 36.53 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.289 1.993 . . . . 0.0 109.17 170.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.48 65.91 8.63 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.58 166.94 19.5 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -170.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.304 0.2 OUTLIER 28.88 55.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.849 1 C-N-CA 128.631 6.22 . . . . 0.0 111.937 177.083 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 43.06 137.19 0.0 OUTLIER Pre-proline 0 N--CA 1.437 -1.118 2 C-N-CA 134.616 5.166 . . . . 0.0 115.451 -168.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -70.77 -29.41 19.08 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.608 2.872 . . . . 0.0 112.182 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 72.14 174.96 0.29 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.856 1.662 . . . . 0.0 111.543 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.212 -1.375 . . . . 0.0 108.325 -177.749 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.578 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.536 3.149 1 C4'-C3'-C2' 98.517 -4.683 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.418 ' C5 ' ' C2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.411 -3.151 1 O4'-C1'-N19 114.446 8.307 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.418 ' C2 ' ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.753 2 C5'-C4'-C3' 107.627 -4.715 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.933 3 O4'-C1'-N19 116.02 10.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 109.545 2.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.116 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -85.85 159.53 19.68 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.362 1.065 . . . . 0.0 110.394 -169.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -160.5 -45.87 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.842 0.857 . . . . 0.0 110.142 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 64.0 29.69 14.26 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.379 1.472 . . . . 0.0 110.822 -173.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -149.64 166.8 28.23 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.139 1.775 . . . . 0.0 107.46 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -69.06 -59.49 3.0 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -142.3 -143.64 0.15 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 171.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.79 -11.42 59.99 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.093 0.406 . . . . 0.0 110.162 168.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 69.8 172.29 0.3 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 127.229 2.212 . . . . 0.0 114.356 168.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -79.31 -27.86 42.17 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.386 1.474 . . . . 0.0 111.529 -174.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -49.89 -32.47 14.64 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.558 1.943 . . . . 0.0 114.084 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -131.96 163.59 28.04 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.589 1.156 . . . . 0.0 112.313 -169.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 32.6 t -60.62 127.42 31.6 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 123.631 0.773 . . . . 0.0 109.806 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.578 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -66.82 -32.06 73.09 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -78.42 -56.72 4.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.018 0.927 . . . . 0.0 111.039 -171.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.3 p -123.74 -19.79 5.66 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.51 1.524 . . . . 0.0 112.011 -169.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.51 65.49 1.44 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.239 1.018 . . . . 0.0 109.369 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -129.91 151.28 50.64 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 104.959 -2.238 . . . . 0.0 104.959 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -68.55 158.72 33.32 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.286 1.517 . . . . 0.0 113.388 -167.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.24 -37.1 3.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.672 168.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -122.96 -170.13 2.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.906 0.483 . . . . 0.0 111.329 -169.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -140.64 171.38 14.18 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.101 1.36 . . . . 0.0 109.879 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -59.95 -19.19 50.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -62.81 -40.72 98.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.956 0.902 . . . . 0.0 111.797 170.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -119.25 21.17 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.288 1.835 . . . . 0.0 112.145 -169.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' B' ' 42' ' ' LYS . 48.7 t -67.41 127.6 93.48 Favored Pre-proline 0 CA--C 1.539 0.521 0 O-C-N 121.159 -0.963 . . . . 0.0 111.009 -172.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.45 -31.83 2.52 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.689 2.926 . . . . 0.0 111.644 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -64.35 -32.91 74.7 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 110.251 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' B' ' 39' ' ' CYS . 10.9 tttm -48.39 143.18 7.56 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 127.577 2.351 . . . . 0.0 111.813 -176.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -58.72 74.23 0.05 OUTLIER 'Trans proline' 0 CA--C 1.54 0.796 1 C-N-CA 125.383 4.055 . . . . 0.0 113.168 169.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 39.4 mtm105 -72.88 -52.32 15.23 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.439 1.096 . . . . 0.0 109.8 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.64 70.18 0.19 Allowed Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -77.75 70.52 6.92 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.813 3.009 . . . . 0.0 109.895 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -160.55 148.07 16.0 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.558 1.143 . . . . 0.0 108.696 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.53 83.55 0.36 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 109.254 -1.539 . . . . 0.0 109.254 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -93.99 -148.35 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 124.557 3.505 . . . . 0.0 105.977 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -147.51 163.26 28.64 Favored Pre-proline 0 CA--C 1.536 0.421 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 168.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -48.66 -47.2 21.54 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.357 2.705 . . . . 0.0 111.396 170.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.54 89.74 3.18 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 169.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 95.2 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.706 -1.616 . . . . 0.0 110.028 -178.096 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.05 2 O4'-C1'-N19 113.728 7.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.4 1 O4'-C1'-N19 114.217 8.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.709 1 O4'-C1'-N19 111.075 4.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.406 ' C6 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 1 P--O5' 1.634 4.062 4 O4'-C1'-N19 114.324 8.155 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 0 P-O3'-C3' 123.583 3.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.157 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.01 173.13 10.71 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.59 1.156 . . . . 0.0 109.802 -170.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -88.36 -60.96 1.82 Allowed 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 169.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -154.7 65.38 0.67 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 170.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 62.81 89.43 0.09 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.907 1.683 . . . . 0.0 108.523 -169.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.1 m -79.23 61.22 3.28 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.356 1.062 . . . . 0.0 111.235 -171.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 65.18 161.63 0.13 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 127.491 2.316 . . . . 0.0 113.256 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.8 -60.73 1.63 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 168.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -164.0 167.49 20.39 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.685 0.794 . . . . 0.0 109.901 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -100.25 -31.17 11.5 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 127.35 2.26 . . . . 0.0 110.009 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.31 -63.28 1.44 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.905 1.282 . . . . 0.0 111.854 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -90.05 164.07 14.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.657 1.183 . . . . 0.0 112.445 -171.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.5 t -61.36 142.6 56.8 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.206 1.003 . . . . 0.0 112.079 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.604 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -86.03 22.71 1.65 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.6 1.56 . . . . 0.0 112.513 -177.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -146.78 -56.73 0.26 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.884 1.274 . . . . 0.0 107.934 -169.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.83 -31.19 10.85 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 127.504 2.322 . . . . 0.0 110.828 -173.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.73 55.9 4.11 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.826 1.25 . . . . 0.0 109.021 -169.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.95 -159.42 0.38 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.545 -1.662 . . . . 0.0 112.058 -169.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -74.48 -56.54 4.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.893 1.277 . . . . 0.0 110.247 -174.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.15 51.24 0.44 Allowed Glycine 0 C--N 1.341 0.836 0 N-CA-C 114.228 0.451 . . . . 0.0 114.228 -169.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -145.76 174.4 11.25 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 167.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' TRP . . . . . 0.406 ' CH2' ' C6 ' ' A' ' 4' ' ' ' DC' . 0.2 OUTLIER -131.25 167.45 19.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.596 1.158 . . . . 0.0 110.554 -169.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -57.76 -33.81 68.9 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.792 0.806 . . . . 0.0 110.361 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -52.4 42.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 129.388 3.075 . . . . 0.0 111.588 171.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -98.17 4.33 49.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.889 2.076 . . . . 0.0 111.776 -170.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 22.3 t -62.47 126.45 88.14 Favored Pre-proline 0 N--CA 1.443 -0.776 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -167.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.25 -32.08 2.54 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 124.033 3.155 . . . . 0.0 112.212 174.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -79.09 -23.92 43.81 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.212 1.005 . . . . 0.0 111.687 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -74.36 141.9 77.59 Favored Pre-proline 0 N--CA 1.448 -0.544 0 C-N-CA 125.233 1.413 . . . . 0.0 108.249 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -38.38 101.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 1 C-N-CA 125.514 4.143 . . . . 0.0 112.944 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -81.8 71.89 8.83 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.077 0.951 . . . . 0.0 110.464 -169.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.01 86.89 0.38 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -53.78 101.78 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 124.649 3.566 . . . . 0.0 112.006 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -142.53 -57.48 0.44 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.025 1.33 . . . . 0.0 109.162 -173.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.35 71.37 0.97 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -174.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -85.98 58.64 4.46 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 124.381 3.387 . . . . 0.0 107.075 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -67.26 159.25 78.31 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.65 -168.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.69 -32.99 30.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 124.108 3.205 . . . . 0.0 114.042 174.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -76.23 70.31 2.85 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.815 0.846 . . . . 0.0 109.203 174.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--O 1.252 1.195 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.672 -179.224 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.71 -56.58 17.66 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.371 1.068 . . . . 0.0 112.157 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -89.78 162.05 15.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.587 1.955 . . . . 0.0 113.385 -169.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -61.81 130.34 45.26 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.263 1.025 . . . . 0.0 110.553 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -68.03 -36.08 79.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.918 0.887 . . . . 0.0 112.432 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -76.32 -55.12 5.85 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.376 1.47 . . . . 0.0 111.303 -169.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.7 p -130.31 -15.53 3.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.598 1.559 . . . . 0.0 112.961 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 58.94 4.95 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.091 0.86 . . . . 0.0 110.672 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -119.27 157.24 28.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.861 1.664 . . . . 0.0 108.721 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 pttt 29.85 -117.38 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 129.142 2.977 . . . . 0.0 114.891 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.36 13.57 3.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.694 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -84.91 -169.2 2.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.503 1.151 . . . . 0.0 108.564 169.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -141.85 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.098 0.559 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.489 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -61.87 -19.38 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -64.3 -33.11 75.07 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 112.06 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -124.19 18.63 9.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.211 1.804 . . . . 0.0 112.152 -169.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.41 127.35 91.32 Favored Pre-proline 0 CA--C 1.535 0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 110.897 -169.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -77.92 -20.79 11.46 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.809 3.672 . . . . 0.0 112.096 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -71.59 -47.21 56.28 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tttm . . . . . 0 N--CA 1.448 -0.527 0 C-N-CA 124.464 1.106 . . . . 0.0 108.687 174.109 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 121.074 0.464 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.68 -38.92 49.59 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.542 2.337 . . . . 0.0 113.872 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -143.69 179.08 7.36 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -168.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.03 159.65 19.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.555 1.542 . . . . 0.0 111.853 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -115.43 -34.15 5.03 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.405 1.482 . . . . 0.0 111.936 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.34 -49.98 56.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.899 1.28 . . . . 0.0 111.036 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.3 p -124.13 -16.68 6.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.409 1.884 . . . . 0.0 111.355 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mptt 59.03 39.49 23.35 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.172 0.989 . . . . 0.0 111.525 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.09 159.35 15.61 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.511 1.524 . . . . 0.0 109.207 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? 33.68 -113.84 0.06 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.968 2.507 . . . . 0.0 114.5 171.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 18.99 1.03 Allowed Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.478 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -83.41 -170.76 3.21 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 168.25 15.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 123.135 0.574 . . . . 0.0 112.313 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.631 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -68.11 -27.52 66.53 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -56.54 -34.56 67.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 128.834 2.853 . . . . 0.0 112.852 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -116.33 -21.69 9.18 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.708 1.603 . . . . 0.0 113.978 -168.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 t -40.42 120.74 1.65 Allowed Pre-proline 0 N--CA 1.453 -0.325 0 C-N-CA 127.502 2.321 . . . . 0.0 113.639 -167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.39 -14.96 16.06 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 124.339 3.359 . . . . 0.0 112.52 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -69.35 -48.11 62.32 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt . . . . . 0 N--CA 1.443 -0.783 0 C-N-CA 127.67 2.388 . . . . 0.0 109.302 169.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.131 0.049 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.19 -44.87 33.14 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.627 2.771 . . . . 0.0 114.764 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -95.68 168.28 10.77 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.4 t -60.33 153.43 22.69 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 126.691 1.996 . . . . 0.0 111.43 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -108.81 8.58 26.74 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.836 1.255 . . . . 0.0 113.517 -172.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -127.93 -54.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.346 1.059 . . . . 0.0 108.358 -169.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.04 -13.48 11.87 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.239 1.816 . . . . 0.0 111.496 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm 78.23 13.35 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.941 1.296 . . . . 0.0 113.728 169.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.51 143.57 46.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.831 1.252 . . . . 0.0 110.763 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -85.76 -38.82 17.82 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.963 1.305 . . . . 0.0 110.478 -174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -19.64 14.5 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.463 1.506 . . . . 0.0 114.502 -176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -146.58 -167.11 2.66 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.453 1.126 . . . . 0.0 109.112 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.19 176.09 8.91 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.631 1.172 . . . . 0.0 111.635 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -63.71 -37.49 87.57 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 175.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -46.15 -34.67 4.44 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.706 2.402 . . . . 0.0 112.259 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -135.35 26.21 3.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.009 1.324 . . . . 0.0 113.17 -168.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 38.4 t -79.3 124.28 84.29 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 119.731 1.151 . . . . 0.0 109.741 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.66 -24.01 10.66 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.585 2.857 . . . . 0.0 112.153 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -74.3 -42.88 58.81 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.435 1.094 . . . . 0.0 108.774 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 124.375 1.07 . . . . 0.0 108.131 169.179 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.0 -52.76 62.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.858 1.663 . . . . 0.0 113.258 -173.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.35 160.66 32.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -168.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 t -67.15 120.71 14.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.369 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -83.97 48.28 1.44 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.768 0.827 . . . . 0.0 112.405 -174.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -158.65 -53.68 0.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -174.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -16.79 4.15 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.288 1.435 . . . . 0.0 112.83 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 58.73 46.05 14.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.352 1.061 . . . . 0.0 111.38 174.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 174.58 9.68 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 122.909 1.338 . . . . 0.0 113.209 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.297 52.9 tttp -27.32 -66.77 0.07 Allowed 'General case' 0 N--CA 1.434 -1.261 1 C-N-CA 133.772 4.829 . . . . 0.0 113.079 167.575 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.64 72.22 0.12 Allowed Glycine 0 C--N 1.339 0.741 0 C-N-CA 121.652 -0.309 . . . . 0.0 113.506 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -156.5 -158.2 0.77 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.199 1.4 . . . . 0.0 107.411 168.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.28 174.71 10.24 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.18 0.592 . . . . 0.0 112.229 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -64.37 -31.11 72.18 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 172.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -48.44 -47.87 37.82 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 127.671 2.388 . . . . 0.0 111.132 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -112.35 5.86 18.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.044 1.738 . . . . 0.0 113.82 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' B' ' 42' ' ' LYS . 24.9 t -63.03 124.28 83.21 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 119.573 1.079 . . . . 0.0 111.622 -168.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.43 -24.87 10.24 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 124.901 3.734 . . . . 0.0 112.196 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -75.25 -44.05 48.14 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.217 1.007 . . . . 0.0 109.228 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.4 ' HB3' ' HB3' ' B' ' 39' ' ' CYS . 42.8 tttm . . . . . 0 N--CA 1.449 -0.516 0 C-N-CA 126.531 1.932 . . . . 0.0 109.441 173.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 . . . . . 0 CA--C 1.534 0.361 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -25.17 62.26 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.08 1.752 . . . . 0.0 115.109 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.74 155.17 21.99 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.095 0.958 . . . . 0.0 112.813 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.92 140.65 58.89 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 122.96 0.504 . . . . 0.0 110.125 169.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.696 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -84.01 27.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.3 1.04 . . . . 0.0 112.706 -176.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -150.04 -54.69 0.16 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.51 1.524 . . . . 0.0 107.977 -169.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.06 -24.11 11.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.816 2.046 . . . . 0.0 111.423 -169.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 41.39 8.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.459 1.104 . . . . 0.0 110.079 -168.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 169.45 14.38 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 122.813 1.292 . . . . 0.0 114.128 -168.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.305 79.8 tttt -27.1 -63.76 0.08 Allowed 'General case' 0 N--CA 1.434 -1.257 1 C-N-CA 133.263 4.625 . . . . 0.0 112.456 167.559 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.61 57.21 0.24 Allowed Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.474 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -148.57 176.34 10.41 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.48 173.82 10.21 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.33 1.052 . . . . 0.0 111.819 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -62.13 -39.12 91.51 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 176.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -44.55 12.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 128.05 2.54 . . . . 0.0 111.621 169.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -114.29 10.72 17.22 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.069 1.747 . . . . 0.0 112.48 -169.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 45.9 t -66.55 126.18 91.77 Favored Pre-proline 0 N--CA 1.451 -0.423 0 O-C-N 121.549 -0.719 . . . . 0.0 112.799 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -85.75 -29.79 0.53 Allowed 'Trans proline' 0 N--CA 1.449 -1.137 1 C-N-CA 125.332 4.021 . . . . 0.0 112.454 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -73.25 -25.16 60.6 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.298 0.499 . . . . 0.0 110.971 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm . . . . . 0 N--CA 1.446 -0.642 0 C-N-CA 124.901 1.28 . . . . 0.0 109.443 174.835 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.779 0.324 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.2 -41.01 78.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.571 1.148 . . . . 0.0 112.032 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -107.88 154.4 21.64 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 113.415 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.29 153.92 33.31 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.463 1.105 . . . . 0.0 110.126 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -101.1 46.09 0.95 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.231 1.013 . . . . 0.0 111.543 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -166.23 -48.49 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -172.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 36.4 m -105.85 -27.38 11.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.224 2.21 . . . . 0.0 109.531 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 65.08 23.77 12.45 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 110.024 -171.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.25 138.43 33.87 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.147 2.579 . . . . 0.0 108.699 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -87.25 -34.65 18.87 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.777 1.231 . . . . 0.0 110.484 -171.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.14 -26.88 2.37 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.294 1.902 . . . . 0.0 113.948 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.448 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 8.9 p-80 -146.02 -168.97 3.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.249 1.025 . . . . 0.0 109.743 172.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -136.67 166.61 23.16 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 124.751 1.22 . . . . 0.0 109.941 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -57.32 -29.6 64.08 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -52.02 -52.41 50.96 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 124.355 1.062 . . . . 0.0 111.923 172.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.81 -32.08 18.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 127.206 2.203 . . . . 0.0 112.053 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 50.7 t -27.23 112.0 0.23 Allowed Pre-proline 0 N--CA 1.445 -0.679 0 C-N-CA 128.637 2.775 . . . . 0.0 115.29 -168.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.448 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 76.7 Cg_endo -71.9 -25.37 19.97 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 124.41 3.407 . . . . 0.0 112.546 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -80.4 -18.88 47.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.487 0.585 . . . . 0.0 111.57 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tttm . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 124.291 1.036 . . . . 0.0 109.546 175.625 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.98 -57.25 11.35 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.472 2.309 . . . . 0.0 115.256 -176.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.45 165.78 13.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -167.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.81 135.78 57.52 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.282 1.033 . . . . 0.0 112.315 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -83.49 46.22 1.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.781 1.632 . . . . 0.0 112.475 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -168.85 -51.67 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -172.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.9 m -113.12 -28.99 7.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.346 1.858 . . . . 0.0 110.487 -170.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 56.02 3.14 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 125.756 1.623 . . . . 0.0 109.382 -169.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -94.73 167.16 11.62 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.342 1.857 . . . . 0.0 111.035 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -34.52 -56.79 0.52 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 128.978 2.911 . . . . 0.0 113.867 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.44 56.03 0.29 Allowed Glycine 0 C--N 1.341 0.809 0 C-N-CA 121.108 -0.568 . . . . 0.0 114.506 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -148.28 169.21 20.6 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 166.54 18.48 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.897 0.879 . . . . 0.0 110.881 -175.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -60.33 -15.58 26.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -64.8 -59.32 4.36 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.66 0.664 . . . . 0.0 110.285 169.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.57 -27.96 41.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.97 1.708 . . . . 0.0 112.875 -172.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -34.83 126.76 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.377 0 C-N-CA 128.384 2.674 . . . . 0.0 115.302 -168.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.5 -31.67 2.56 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.98 3.12 . . . . 0.0 110.957 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.97 -14.13 60.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.697 0.799 . . . . 0.0 112.191 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 tttm . . . . . 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.926 . . . . 0.0 109.69 178.521 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 119.433 -0.318 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.33 -56.84 13.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.158 1.383 . . . . 0.0 112.884 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -101.47 168.0 9.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.908 0.883 . . . . 0.0 113.364 -168.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 39.9 t -60.1 131.04 49.59 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 123.901 0.88 . . . . 0.0 111.618 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -77.63 48.47 0.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.876 1.67 . . . . 0.0 112.202 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -169.91 -53.21 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -170.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.2 m -119.47 -27.6 5.52 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 125.676 1.591 . . . . 0.0 111.183 -169.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.69 55.45 2.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 126.484 1.914 . . . . 0.0 110.831 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.04 165.82 17.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.289 1.435 . . . . 0.0 110.265 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -35.74 -57.55 0.65 Allowed 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 128.343 2.657 . . . . 0.0 113.943 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 50.65 0.5 Allowed Glycine 0 C--N 1.341 0.853 0 CA-C-O 119.482 -0.621 . . . . 0.0 114.486 -169.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -145.61 169.63 18.05 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 167.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.68 166.71 21.99 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.887 0.875 . . . . 0.0 111.318 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -62.08 -13.85 30.55 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.913 0.779 . . . . 0.0 112.517 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.33 -59.16 3.96 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.976 0.91 . . . . 0.0 109.93 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -23.98 37.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.893 2.077 . . . . 0.0 113.716 -169.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 18.8 t -31.64 113.66 0.35 Allowed Pre-proline 0 N--CA 1.448 -0.543 0 C-N-CA 127.954 2.502 . . . . 0.0 115.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.25 -24.11 1.72 Allowed 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 124.076 3.184 . . . . 0.0 111.518 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -66.03 -45.51 81.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.799 1.24 . . . . 0.0 108.192 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tttm . . . . . 0 N--CA 1.446 -0.671 0 C-N-CA 128.105 2.562 . . . . 0.0 109.088 173.195 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 . . . . . 0 C--O 1.222 -0.369 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.19 -56.23 12.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.478 0.711 . . . . 0.0 111.294 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -82.27 151.87 26.59 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.138 1.375 . . . . 0.0 114.329 -168.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.48 134.72 57.19 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -62.61 -33.47 75.06 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -86.82 -53.84 4.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.032 2.133 . . . . 0.0 111.16 -171.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.52 -35.91 7.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.409 1.884 . . . . 0.0 110.761 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.0 47.53 19.65 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.099 0.874 . . . . 0.0 109.623 -168.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -82.3 171.54 14.12 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.563 1.145 . . . . 0.0 110.293 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -12.92 -61.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.194 0 C-N-CA 130.629 3.572 . . . . 0.0 115.459 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.21 -0.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.44 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.41 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 1.8 p-80 -75.79 168.86 19.25 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 120.179 1.99 . . . . 0.0 108.488 169.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.67 170.19 11.78 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 124.039 0.936 . . . . 0.0 111.492 -176.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -56.84 -28.23 61.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.39 0.541 . . . . 0.0 111.124 175.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -68.01 -42.56 80.5 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.458 0.703 . . . . 0.0 112.797 172.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -100.16 22.7 11.01 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.732 1.213 . . . . 0.0 110.397 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.63 120.95 84.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 O-C-N 121.596 -0.69 . . . . 0.0 111.533 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 41.7 Cg_endo -83.18 -28.67 1.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 124.595 3.53 . . . . 0.0 112.532 177.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.28 72.59 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.635 0.774 . . . . 0.0 109.639 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp . . . . . 0 N--CA 1.438 -1.035 0 C-N-CA 125.722 1.609 . . . . 0.0 109.902 171.812 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.97 -46.98 84.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.056 2.142 . . . . 0.0 114.253 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -70.5 156.15 39.76 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -169.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.66 123.41 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 169.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -63.35 -35.14 79.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.278 0.631 . . . . 0.0 112.504 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -75.83 -50.92 13.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.808 1.643 . . . . 0.0 111.598 -169.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 11.9 p -137.87 -3.84 1.8 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.657 1.183 . . . . 0.0 113.167 -169.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 55.5 3.4 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.583 1.553 . . . . 0.0 112.659 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.31 -145.46 0.08 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.437 1.495 . . . . 0.0 111.858 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -82.52 -66.53 0.88 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.814 1.646 . . . . 0.0 111.741 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.88 58.63 0.43 Allowed Glycine 0 C--N 1.342 0.875 0 CA-C-O 120.266 -0.186 . . . . 0.0 112.924 -169.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -151.11 -174.19 4.73 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 168.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.14 168.05 20.11 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.429 0.692 . . . . 0.0 111.347 -176.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -55.77 -35.88 66.74 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 118.311 0.505 . . . . 0.0 111.524 -177.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -51.58 -49.56 61.85 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.229 1.012 . . . . 0.0 111.847 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -98.68 5.73 47.48 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.028 1.731 . . . . 0.0 112.108 -169.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.99 123.24 68.1 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 118.329 0.513 . . . . 0.0 111.989 -168.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.72 -27.48 3.98 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 125.011 3.807 . . . . 0.0 112.572 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -71.29 -43.12 67.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.554 2.342 . . . . 0.0 109.569 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? . . . . . 0 CA--C 1.537 0.475 0 C-N-CA 126.837 2.055 . . . . 0.0 109.403 172.868 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 119.535 -0.269 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.93 -15.89 62.65 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -70.66 158.98 35.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.001 1.273 . . . . 0.0 112.745 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 t -73.64 143.04 46.46 Favored 'General case' 0 C--N 1.346 0.413 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -89.0 29.69 1.02 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.71 1.204 . . . . 0.0 112.174 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -152.38 -55.48 0.13 Allowed 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.76 0.824 . . . . 0.0 108.951 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.55 -19.15 13.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 125.048 1.339 . . . . 0.0 111.163 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt 62.93 39.13 10.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.154 0.982 . . . . 0.0 108.457 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 171.92 9.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.253 1.421 . . . . 0.0 113.334 -168.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -26.91 -54.95 0.08 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 129.827 3.251 . . . . 0.0 113.057 169.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.65 21.29 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.513 -1.159 . . . . 0.0 112.897 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.449 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 0.1 OUTLIER -82.41 168.54 17.39 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 119.028 1.414 . . . . 0.0 107.419 169.209 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.71 170.44 8.45 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 123.503 0.721 . . . . 0.0 112.864 -174.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -68.24 -37.77 81.14 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 177.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -47.12 -50.83 19.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 128.459 2.704 . . . . 0.0 111.083 168.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -88.2 -33.51 18.12 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.899 2.08 . . . . 0.0 113.102 -170.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -26.02 103.74 0.14 Allowed Pre-proline 0 N--CA 1.446 -0.67 0 C-N-CA 130.631 3.572 . . . . 0.0 114.69 -167.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.449 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 37.1 Cg_endo -86.16 -15.0 4.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.849 3.7 . . . . 0.0 111.206 171.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -66.82 -36.09 81.56 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.57 1.948 . . . . 0.0 108.954 171.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 125.591 1.556 . . . . 0.0 106.878 169.119 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -68.23 -62.68 1.29 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 110.646 174.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -98.46 166.46 11.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.697 1.199 . . . . 0.0 113.06 -169.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.68 159.05 7.06 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.423 1.889 . . . . 0.0 113.349 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.628 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -101.39 -38.58 7.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.294 1.838 . . . . 0.0 111.355 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -75.46 -53.92 7.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.451 1.501 . . . . 0.0 111.033 -172.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -123.61 -17.27 6.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.905 1.682 . . . . 0.0 111.252 -170.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.66 39.28 2.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.958 0.503 . . . . 0.0 111.641 169.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.67 169.58 16.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.861 0.864 . . . . 0.0 112.373 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -14.73 -66.82 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 130.718 3.607 . . . . 0.0 115.968 172.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.44 -7.3 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 114.302 -169.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.457 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 1.4 p-80 -72.45 177.07 4.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.096 1.948 . . . . 0.0 108.649 169.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.52 173.35 7.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.293 0.637 . . . . 0.0 111.729 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.09 -31.95 73.41 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -45.75 -45.99 14.87 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.635 2.374 . . . . 0.0 111.907 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -103.55 -21.23 13.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.758 2.023 . . . . 0.0 113.218 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . 0.433 ' HB3' ' HB2' ' B' ' 42' ' ' LYS . 17.1 t -38.03 120.58 1.01 Allowed Pre-proline 0 N--CA 1.446 -0.644 0 C-N-CA 126.68 1.992 . . . . 0.0 115.228 -167.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.457 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 44.0 Cg_endo -80.03 -29.03 2.84 Favored 'Trans proline' 0 N--CA 1.451 -1.02 1 C-N-CA 125.654 4.236 . . . . 0.0 112.307 177.413 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.889 1.276 . . . . 0.0 110.112 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' B' ' 39' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 127.657 2.383 . . . . 0.0 111.04 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.77 -39.07 84.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.895 2.078 . . . . 0.0 112.883 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -66.25 155.11 38.07 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.157 0.435 . . . . 0.0 111.077 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.38 123.67 16.26 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.752 170.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.461 ' HB3' ' CB ' ' B' ' 36' ' ' ALA . . . -60.82 -29.59 69.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.508 -0.745 . . . . 0.0 112.824 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -82.41 -54.71 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.398 1.479 . . . . 0.0 111.788 -169.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.06 -18.23 5.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.047 1.739 . . . . 0.0 111.746 -170.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 69.73 37.51 1.85 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.913 0.885 . . . . 0.0 112.47 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -78.23 163.11 26.06 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 168.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -52.37 6.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.68 1.592 . . . . 0.0 111.575 -169.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.97 -50.87 49.79 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.205 1.383 . . . . 0.0 113.272 -169.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -101.67 -172.02 2.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.76 0.424 . . . . 0.0 110.092 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.39 171.65 13.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.425 1.09 . . . . 0.0 110.658 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' B' ' 27' ' ' ALA . . . -65.42 -21.02 66.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.652 0.66 . . . . 0.0 110.367 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -62.38 -34.5 76.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 125.274 1.43 . . . . 0.0 111.113 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -123.36 16.14 9.74 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.098 2.159 . . . . 0.0 112.91 -170.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 28.7 t -66.33 131.34 94.28 Favored Pre-proline 0 CA--C 1.536 0.442 0 O-C-N 120.779 -1.201 . . . . 0.0 111.215 -169.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.87 -20.49 10.31 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.174 3.249 . . . . 0.0 111.07 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -70.29 -31.25 68.51 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.246 1.018 . . . . 0.0 110.828 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp . . . . . 0 N--CA 1.448 -0.569 0 C-N-CA 125.006 1.322 . . . . 0.0 110.777 -171.192 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.77 -55.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.896 2.478 . . . . 0.0 108.758 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -103.72 168.67 8.99 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 126.059 1.744 . . . . 0.0 112.462 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 46.7 t -63.19 149.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.394 1.078 . . . . 0.0 111.578 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -103.52 -7.5 20.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.609 1.164 . . . . 0.0 113.555 -174.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -108.82 -51.6 2.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.628 1.571 . . . . 0.0 108.072 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -122.5 -16.79 7.19 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.762 2.025 . . . . 0.0 111.665 -170.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 mptt 59.57 43.54 15.8 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.124 1.37 . . . . 0.0 111.017 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.14 174.71 4.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.058 1.343 . . . . 0.0 113.672 -177.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -49.02 -62.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 127.733 2.413 . . . . 0.0 113.089 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.13 58.29 0.4 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 117.667 0.212 . . . . 0.0 113.593 -169.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -149.41 -177.75 6.03 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 168.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.67 173.3 8.62 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.656 1.182 . . . . 0.0 111.12 -174.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.05 -39.78 93.79 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -44.29 -36.26 2.68 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 128.37 2.668 . . . . 0.0 112.268 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.99 9.07 9.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.645 1.578 . . . . 0.0 112.883 -169.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 49.9 t -67.79 128.32 93.43 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 119.622 1.101 . . . . 0.0 111.661 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -79.57 -25.69 5.33 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.811 3.674 . . . . 0.0 111.13 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -70.75 -37.94 73.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.078 0.551 . . . . 0.0 109.837 175.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.499 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 . . . . . 0 C--O 1.226 -0.174 0 CA-C-O 120.78 0.324 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -49.75 -36.17 24.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.794 2.038 . . . . 0.0 112.776 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -129.36 164.15 24.21 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.509 1.124 . . . . 0.0 111.465 -171.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.4 55.7 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.939 0.896 . . . . 0.0 109.726 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -70.04 -25.12 63.41 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -87.73 -59.37 2.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.084 1.354 . . . . 0.0 111.509 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 p -119.78 -12.34 9.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 126.217 1.807 . . . . 0.0 112.845 -168.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt 81.79 12.96 0.62 Allowed 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.068 0.947 . . . . 0.0 112.97 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.16 145.22 46.5 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.095 0.958 . . . . 0.0 109.482 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.31 -37.34 12.69 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.006 1.322 . . . . 0.0 110.471 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -26.1 9.95 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.582 1.563 . . . . 0.0 113.861 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -139.81 -162.85 1.4 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.258 1.023 . . . . 0.0 109.588 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.54 173.04 12.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.304 1.442 . . . . 0.0 110.063 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.06 -27.66 68.94 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.632 0.651 . . . . 0.0 109.74 -178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -49.53 -40.8 39.21 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.28 2.232 . . . . 0.0 111.46 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.42 16.49 10.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.131 2.173 . . . . 0.0 112.855 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -73.47 126.02 90.24 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 121.303 -0.873 . . . . 0.0 112.062 -169.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.1 -23.61 11.89 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.777 2.985 . . . . 0.0 110.768 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -67.0 -38.27 85.71 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttm . . . . . 0 N--CA 1.443 -0.775 0 C-N-CA 124.969 1.308 . . . . 0.0 110.133 179.385 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 . . . . . 0 N--CA 1.445 -0.679 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.73 -57.53 11.63 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.847 2.459 . . . . 0.0 113.888 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -86.21 165.78 16.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -168.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -55.91 162.02 2.01 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 124.568 1.147 . . . . 0.0 110.406 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -110.25 -41.25 4.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.897 1.279 . . . . 0.0 111.372 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.56 -43.85 88.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.79 1.236 . . . . 0.0 111.093 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.59 -14.48 1.45 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.765 1.626 . . . . 0.0 112.404 -172.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.21 32.77 20.96 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.866 1.266 . . . . 0.0 113.614 174.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.5 177.11 4.2 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -175.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -22.12 -81.81 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.208 1 C-N-CA 132.312 4.245 . . . . 0.0 116.203 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.12 49.48 0.6 Allowed Glycine 0 C--N 1.341 0.811 0 CA-C-N 117.893 0.315 . . . . 0.0 113.756 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -139.94 -171.77 3.25 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 167.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.26 170.57 14.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.431 1.092 . . . . 0.0 111.223 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.662 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -64.59 -40.72 96.02 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -49.77 -25.33 2.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.524 2.329 . . . . 0.0 112.331 168.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -128.79 21.19 5.94 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.428 1.491 . . . . 0.0 111.979 -173.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 t -77.9 123.7 86.29 Favored Pre-proline 0 CA--C 1.535 0.392 0 O-C-N 120.828 -1.17 . . . . 0.0 110.452 -169.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.64 -26.42 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.208 3.272 . . . . 0.0 111.859 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -69.98 -31.38 69.05 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.188 0.995 . . . . 0.0 111.399 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm . . . . . 0 CA--C 1.537 0.466 0 C-N-CA 124.203 1.001 . . . . 0.0 110.374 -177.632 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.86 -63.65 1.19 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.962 1.305 . . . . 0.0 112.341 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -92.25 167.56 11.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.341 1.057 . . . . 0.0 113.542 -168.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 44.9 t -58.28 158.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.638 1.975 . . . . 0.0 111.694 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -106.34 -33.55 7.73 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.514 1.526 . . . . 0.0 111.929 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -75.27 -47.58 27.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.0 1.32 . . . . 0.0 111.981 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 p -126.63 -7.51 6.24 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 125.745 1.618 . . . . 0.0 111.24 -172.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 73.22 15.61 4.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.915 0.886 . . . . 0.0 113.272 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.52 148.45 29.17 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.703 0.801 . . . . 0.0 110.748 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.19 -38.62 17.48 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.792 1.637 . . . . 0.0 110.94 -172.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.34 -18.33 9.73 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.261 1.41 . . . . 0.0 114.575 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -151.08 -165.86 2.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.332 1.066 . . . . 0.0 108.565 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.29 165.57 24.83 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 124.268 1.027 . . . . 0.0 111.67 -176.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -53.46 -37.76 62.94 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.091 0.556 . . . . 0.0 111.558 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.347 1.459 . . . . 0.0 111.551 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -105.47 10.3 33.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.247 1.819 . . . . 0.0 112.227 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 42' ' ' LYS . 26.4 t -63.18 123.1 79.21 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.161 0.891 . . . . 0.0 111.685 -169.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -82.09 -21.8 5.42 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 124.445 3.43 . . . . 0.0 111.091 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.74 -44.14 70.84 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.331 1.052 . . . . 0.0 108.693 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 39' ' ' CYS . 64.9 tttp . . . . . 0 N--CA 1.447 -0.578 0 C-N-CA 127.191 2.197 . . . . 0.0 110.151 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -38.92 92.62 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.042 2.137 . . . . 0.0 114.198 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -94.04 170.91 9.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.554 1.142 . . . . 0.0 112.931 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.91 148.68 29.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.695 0.798 . . . . 0.0 110.599 174.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -106.17 -17.03 14.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.717 1.607 . . . . 0.0 113.0 -175.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -88.95 -58.56 2.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.145 1.378 . . . . 0.0 110.956 -177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.15 -18.36 8.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.103 1.761 . . . . 0.0 112.374 -168.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm 68.6 28.43 5.8 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -95.76 149.23 21.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp 27.5 -94.22 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 130.931 3.692 . . . . 0.0 115.582 169.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.45 69.0 0.28 Allowed Glycine 0 C--N 1.34 0.788 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -153.29 -171.05 3.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.45 1.5 . . . . 0.0 107.657 169.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.41 168.73 15.87 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.377 1.071 . . . . 0.0 110.931 -175.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.01 -39.79 93.97 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -47.37 -34.09 6.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 128.58 2.752 . . . . 0.0 112.472 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -117.85 10.66 13.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.194 1.798 . . . . 0.0 112.281 -172.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.37 123.69 88.9 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.253 -0.905 . . . . 0.0 111.855 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.23 -17.93 5.31 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.299 3.333 . . . . 0.0 112.076 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -70.58 -40.37 73.32 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? . . . . . 0 N--CA 1.441 -0.915 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 167.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 120.628 0.252 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -49.89 -32.47 14.64 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.558 1.943 . . . . 0.0 114.084 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -131.96 163.59 28.04 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.589 1.156 . . . . 0.0 112.313 -169.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 32.6 t -60.62 127.42 31.6 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 123.631 0.773 . . . . 0.0 109.806 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -66.82 -32.06 73.09 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -78.42 -56.72 4.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.018 0.927 . . . . 0.0 111.039 -171.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.3 p -123.74 -19.79 5.66 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.51 1.524 . . . . 0.0 112.011 -169.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.51 65.49 1.44 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.239 1.018 . . . . 0.0 109.369 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -129.91 151.28 50.64 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 104.959 -2.238 . . . . 0.0 104.959 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -68.55 158.72 33.32 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.286 1.517 . . . . 0.0 113.388 -167.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.24 -37.1 3.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.672 168.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -122.96 -170.13 2.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.906 0.483 . . . . 0.0 111.329 -169.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -140.64 171.38 14.18 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.101 1.36 . . . . 0.0 109.879 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -59.95 -19.19 50.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -62.81 -40.72 98.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.956 0.902 . . . . 0.0 111.797 170.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -119.25 21.17 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.288 1.835 . . . . 0.0 112.145 -169.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' B' ' 42' ' ' LYS . 48.7 t -67.41 127.6 93.48 Favored Pre-proline 0 CA--C 1.539 0.521 0 O-C-N 121.159 -0.963 . . . . 0.0 111.009 -172.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.45 -31.83 2.52 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.689 2.926 . . . . 0.0 111.644 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -64.35 -32.91 74.7 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 110.251 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' B' ' 39' ' ' CYS . 10.9 tttm . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 127.577 2.351 . . . . 0.0 111.813 -176.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.223 -0.313 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.31 -63.28 1.44 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.905 1.282 . . . . 0.0 111.854 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -90.05 164.07 14.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.657 1.183 . . . . 0.0 112.445 -171.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.5 t -61.36 142.6 56.8 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.206 1.003 . . . . 0.0 112.079 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.604 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -86.03 22.71 1.65 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.6 1.56 . . . . 0.0 112.513 -177.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -146.78 -56.73 0.26 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.884 1.274 . . . . 0.0 107.934 -169.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.83 -31.19 10.85 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 127.504 2.322 . . . . 0.0 110.828 -173.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.73 55.9 4.11 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.826 1.25 . . . . 0.0 109.021 -169.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.95 -159.42 0.38 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.545 -1.662 . . . . 0.0 112.058 -169.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -74.48 -56.54 4.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.893 1.277 . . . . 0.0 110.247 -174.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.15 51.24 0.44 Allowed Glycine 0 C--N 1.341 0.836 0 N-CA-C 114.228 0.451 . . . . 0.0 114.228 -169.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -145.76 174.4 11.25 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 167.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -131.25 167.45 19.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.596 1.158 . . . . 0.0 110.554 -169.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -57.76 -33.81 68.9 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.792 0.806 . . . . 0.0 110.361 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -52.4 42.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 129.388 3.075 . . . . 0.0 111.588 171.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -98.17 4.33 49.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.889 2.076 . . . . 0.0 111.776 -170.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 22.3 t -62.47 126.45 88.14 Favored Pre-proline 0 N--CA 1.443 -0.776 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -167.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.25 -32.08 2.54 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 124.033 3.155 . . . . 0.0 112.212 174.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -79.09 -23.92 43.81 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.212 1.005 . . . . 0.0 111.687 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? . . . . . 0 N--CA 1.448 -0.544 0 C-N-CA 125.233 1.413 . . . . 0.0 108.249 177.554 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.518 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.536 3.067 1 C4'-C3'-C2' 98.371 -4.829 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.202 1 O4'-C1'-N19 114.733 8.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 2 C5'-C4'-C3' 107.396 -4.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.791 3 O4'-C1'-N19 114.154 7.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.962 1 O4'-C1'-N19 111.96 5.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.089 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.29 77.1 7.06 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.181 0.993 . . . . 0.0 110.48 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.25 -33.71 65.7 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.045 0.938 . . . . 0.0 111.575 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -55.42 -45.95 76.7 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.869 0.868 . . . . 0.0 110.924 175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.4 ttp-105 -81.83 70.72 8.79 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.1 p -63.35 -32.23 73.6 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.679 1.192 . . . . 0.0 111.671 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -146.48 -175.16 4.67 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.629 1.171 . . . . 0.0 110.066 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.4 50.91 5.64 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 125.683 1.593 . . . . 0.0 112.922 171.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.13 -166.62 1.07 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.285 1.034 . . . . 0.0 109.783 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -87.26 -30.89 20.57 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 124.66 1.184 . . . . 0.0 110.443 171.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.71 -56.58 17.66 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.371 1.068 . . . . 0.0 112.157 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -89.78 162.05 15.72 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.587 1.955 . . . . 0.0 113.385 -169.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.6 t -61.81 130.34 45.26 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.263 1.025 . . . . 0.0 110.553 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.518 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -68.03 -36.08 79.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.918 0.887 . . . . 0.0 112.432 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -76.32 -55.12 5.85 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.376 1.47 . . . . 0.0 111.303 -169.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.7 p -130.31 -15.53 3.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.598 1.559 . . . . 0.0 112.961 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.43 58.94 4.95 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.091 0.86 . . . . 0.0 110.672 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -119.27 157.24 28.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.861 1.664 . . . . 0.0 108.721 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 pttt 29.85 -117.38 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 129.142 2.977 . . . . 0.0 114.891 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.36 13.57 3.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 118.802 -0.999 . . . . 0.0 112.694 -171.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -84.91 -169.2 2.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.503 1.151 . . . . 0.0 108.564 169.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -141.85 172.65 12.4 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.098 0.559 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.489 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -61.87 -19.38 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 177.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -64.3 -33.11 75.07 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.413 1.085 . . . . 0.0 112.06 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -124.19 18.63 9.11 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.211 1.804 . . . . 0.0 112.152 -169.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.41 127.35 91.32 Favored Pre-proline 0 CA--C 1.535 0.4 0 O-C-N 121.004 -1.06 . . . . 0.0 110.897 -169.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -77.92 -20.79 11.46 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.809 3.672 . . . . 0.0 112.096 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -71.59 -47.21 56.28 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -62.7 134.67 95.44 Favored Pre-proline 0 N--CA 1.448 -0.527 0 C-N-CA 124.464 1.106 . . . . 0.0 108.687 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.15 71.98 6.08 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.222 2.615 . . . . 0.0 110.82 -176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -86.26 60.54 6.29 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.037 0.935 . . . . 0.0 108.92 171.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.16 127.13 9.87 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.5 66.19 8.81 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.641 2.894 . . . . 0.0 110.102 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -162.87 17.22 0.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.722 1.209 . . . . 0.0 111.615 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.76 82.3 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -89.53 51.82 1.41 Allowed 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 124.289 3.326 . . . . 0.0 107.642 -174.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -74.35 156.03 87.5 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.799 -169.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -72.95 73.03 3.14 Favored 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 123.571 2.847 . . . . 0.0 109.73 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -179.36 -46.92 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.925 2.09 . . . . 0.0 108.222 -169.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.25 1.088 0 C-N-CA 124.951 1.3 . . . . 0.0 109.233 179.048 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.629 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.535 2.98 1 C4'-C3'-C2' 98.597 -4.603 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 1 O4'-C1'-N19 114.907 8.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.285 1 O4'-C1'-N19 112.137 5.421 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.892 3 O4'-C1'-N19 115.181 9.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.332 0 O5'-C5'-C4' 115.747 3.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.116 0 N-CA-C 112.055 -0.418 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.53 129.3 39.52 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.446 0.698 . . . . 0.0 110.051 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -81.51 82.26 7.35 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -156.42 154.46 30.5 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 124.033 0.933 . . . . 0.0 110.193 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -89.12 78.51 7.37 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.9 p -59.54 135.08 57.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.829 0.852 . . . . 0.0 110.852 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -151.32 -154.25 0.54 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.912 1.285 . . . . 0.0 107.88 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -80.87 56.79 2.83 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.804 0.811 . . . . 0.0 110.968 173.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -73.06 -172.53 1.08 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.991 1.316 . . . . 0.0 110.36 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -57.29 -31.95 66.15 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.003 0.921 . . . . 0.0 110.829 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.68 -38.92 49.59 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.542 2.337 . . . . 0.0 113.872 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -143.69 179.08 7.36 Favored 'General case' 0 C--N 1.345 0.389 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 -168.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.03 159.65 19.69 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.555 1.542 . . . . 0.0 111.853 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -115.43 -34.15 5.03 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.405 1.482 . . . . 0.0 111.936 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.34 -49.98 56.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.899 1.28 . . . . 0.0 111.036 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.3 p -124.13 -16.68 6.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.409 1.884 . . . . 0.0 111.355 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 4.7 mptt 59.03 39.49 23.35 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.172 0.989 . . . . 0.0 111.525 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -103.09 159.35 15.61 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.511 1.524 . . . . 0.0 109.207 -175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? 33.68 -113.84 0.06 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 127.968 2.507 . . . . 0.0 114.5 171.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.45 18.99 1.03 Allowed Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.478 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -83.41 -170.76 3.21 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 168.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 168.25 15.83 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 123.135 0.574 . . . . 0.0 112.313 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.631 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -68.11 -27.52 66.53 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -56.54 -34.56 67.17 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 128.834 2.853 . . . . 0.0 112.852 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -116.33 -21.69 9.18 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.708 1.603 . . . . 0.0 113.978 -168.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 47.5 t -40.42 120.74 1.65 Allowed Pre-proline 0 N--CA 1.453 -0.325 0 C-N-CA 127.502 2.321 . . . . 0.0 113.639 -167.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.39 -14.96 16.06 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 124.339 3.359 . . . . 0.0 112.52 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -69.35 -48.11 62.32 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -74.7 164.7 59.53 Favored Pre-proline 0 N--CA 1.443 -0.783 0 C-N-CA 127.67 2.388 . . . . 0.0 109.302 169.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -64.75 27.0 0.08 OUTLIER 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 124.557 3.504 . . . . 0.0 115.355 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 60.77 69.59 0.67 Allowed 'General case' 0 C--N 1.343 0.318 0 C-N-CA 126.358 1.863 . . . . 0.0 112.663 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.12 163.95 39.1 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.542 0.591 . . . . 0.0 112.187 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -79.08 67.24 8.65 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 124.436 3.424 . . . . 0.0 110.009 -178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -81.85 -50.35 9.3 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.526 1.13 . . . . 0.0 111.104 -174.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.53 -159.65 48.47 Favored Glycine 0 CA--C 1.54 1.607 0 CA-C-O 117.338 -1.812 . . . . 0.0 111.078 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.33 0.2 OUTLIER 37.0 58.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 1 C-N-CA 126.984 5.123 . . . . 0.0 111.563 169.896 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.04 95.97 0.04 OUTLIER Pre-proline 0 N--CA 1.432 -1.335 2 CA-C-N 107.895 -4.229 . . . . 0.0 111.189 -168.118 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -83.64 69.04 6.85 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.146 2.564 . . . . 0.0 110.561 -171.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.49 150.27 46.95 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.117 -0.364 . . . . 0.0 110.738 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.609 -1.186 . . . . 0.0 109.159 -178.808 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.552 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.539 3.457 1 C4'-C3'-C2' 97.41 -5.79 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 2 O4'-C1'-N19 114.858 8.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 1 O4'-C1'-N19 111.861 5.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.371 2 O4'-C1'-N19 116.907 11.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 0 P-O3'-C3' 121.706 1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.109 0 CA-C-O 119.789 -0.45 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 63.87 -78.79 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.857 2.063 . . . . 0.0 112.015 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -110.04 28.06 8.98 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.221 1.408 . . . . 0.0 109.886 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -169.13 151.92 4.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.688 1.595 . . . . 0.0 106.961 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -67.62 165.69 16.53 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.06 0.544 . . . . 0.0 109.74 176.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.2 t -57.41 -49.86 74.85 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.031 0.532 . . . . 0.0 110.201 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -142.72 167.89 21.01 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.062 1.345 . . . . 0.0 108.501 173.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 60.46 93.07 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.781 1.632 . . . . 0.0 112.209 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -139.08 -172.95 3.45 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.922 1.289 . . . . 0.0 109.711 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -57.08 -69.44 0.16 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.915 1.686 . . . . 0.0 111.131 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.19 -44.87 33.14 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.627 2.771 . . . . 0.0 114.764 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -95.68 168.28 10.77 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -168.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.4 t -60.33 153.43 22.69 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 126.691 1.996 . . . . 0.0 111.43 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -108.81 8.58 26.74 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.836 1.255 . . . . 0.0 113.517 -172.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -127.93 -54.13 1.31 Allowed 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.346 1.059 . . . . 0.0 108.358 -169.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.2 p -115.04 -13.48 11.87 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.239 1.816 . . . . 0.0 111.496 -174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm 78.23 13.35 1.58 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.941 1.296 . . . . 0.0 113.728 169.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.51 143.57 46.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.831 1.252 . . . . 0.0 110.763 175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -85.76 -38.82 17.82 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.963 1.305 . . . . 0.0 110.478 -174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -19.64 14.5 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 125.463 1.506 . . . . 0.0 114.502 -176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -146.58 -167.11 2.66 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.453 1.126 . . . . 0.0 109.112 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.19 176.09 8.91 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.631 1.172 . . . . 0.0 111.635 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -63.71 -37.49 87.57 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 175.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -46.15 -34.67 4.44 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 127.706 2.402 . . . . 0.0 112.259 169.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -135.35 26.21 3.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.009 1.324 . . . . 0.0 113.17 -168.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 38.4 t -79.3 124.28 84.29 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 119.731 1.151 . . . . 0.0 109.741 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -76.66 -24.01 10.66 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.585 2.857 . . . . 0.0 112.153 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -74.3 -42.88 58.81 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.435 1.094 . . . . 0.0 108.774 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -57.99 142.22 79.96 Favored Pre-proline 0 CA--C 1.536 0.426 0 C-N-CA 124.375 1.07 . . . . 0.0 108.131 169.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.03 84.95 1.42 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.062 2.508 . . . . 0.0 109.929 -174.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -62.1 114.41 3.4 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.519 1.528 . . . . 0.0 109.456 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.39 178.77 44.17 Favored Glycine 0 CA--C 1.534 1.25 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.09 158.57 25.09 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.818 3.012 . . . . 0.0 112.693 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -74.28 93.97 2.44 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.67 -159.6 36.66 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -174.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -92.37 49.37 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 124.637 3.558 . . . . 0.0 106.176 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -51.41 -54.79 35.03 Favored Pre-proline 0 N--CA 1.448 -0.564 0 C-N-CA 124.267 1.027 . . . . 0.0 113.226 -168.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.41 76.13 3.23 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.495 2.13 . . . . 0.0 109.589 171.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -80.21 71.2 6.96 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.179 0.992 . . . . 0.0 109.5 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.251 1.135 0 CA-C-O 117.146 -1.407 . . . . 0.0 109.676 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.499 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.537 3.229 2 O4'-C1'-N19 113.498 7.122 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 2 O4'-C1'-N19 116.02 10.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 1 O4'-C1'-N19 111.362 4.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.54 4 O4'-C1'-N19 112.755 6.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 P-O3'-C3' 123.409 3.091 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.977 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 53.82 55.1 8.86 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.973 1.309 . . . . 0.0 110.404 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.82 147.74 18.39 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.226 1.01 . . . . 0.0 112.594 -176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -76.46 -59.98 2.54 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -74.33 170.67 15.15 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.164 0.986 . . . . 0.0 109.296 170.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 31.3 p -67.69 -51.55 48.24 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.517 0.727 . . . . 0.0 110.308 171.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -130.6 171.32 13.18 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.451 1.5 . . . . 0.0 109.951 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 53.56 62.97 2.38 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 125.035 1.334 . . . . 0.0 111.276 179.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -147.59 -154.27 0.54 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.806 0.842 . . . . 0.0 109.507 -170.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -40.49 -75.66 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 128.259 2.623 . . . . 0.0 111.794 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.0 -52.76 62.66 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.858 1.663 . . . . 0.0 113.258 -173.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.35 160.66 32.39 Favored 'General case' 0 CA--C 1.528 0.128 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -168.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 19.7 t -67.15 120.71 14.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.369 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.499 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -83.97 48.28 1.44 Allowed 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 123.768 0.827 . . . . 0.0 112.405 -174.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -158.65 -53.68 0.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -174.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -16.79 4.15 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.288 1.435 . . . . 0.0 112.83 -169.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 58.73 46.05 14.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.352 1.061 . . . . 0.0 111.38 174.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.81 174.58 9.68 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 122.909 1.338 . . . . 0.0 113.209 -174.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.297 52.9 tttp -27.32 -66.77 0.07 Allowed 'General case' 0 N--CA 1.434 -1.261 1 C-N-CA 133.772 4.829 . . . . 0.0 113.079 167.575 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.64 72.22 0.12 Allowed Glycine 0 C--N 1.339 0.741 0 C-N-CA 121.652 -0.309 . . . . 0.0 113.506 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -156.5 -158.2 0.77 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.199 1.4 . . . . 0.0 107.411 168.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.28 174.71 10.24 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.18 0.592 . . . . 0.0 112.229 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -64.37 -31.11 72.18 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 172.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -48.44 -47.87 37.82 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 127.671 2.388 . . . . 0.0 111.132 169.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -112.35 5.86 18.45 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 126.044 1.738 . . . . 0.0 113.82 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' B' ' 42' ' ' LYS . 24.9 t -63.03 124.28 83.21 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 119.573 1.079 . . . . 0.0 111.622 -168.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -76.43 -24.87 10.24 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 124.901 3.734 . . . . 0.0 112.196 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -75.25 -44.05 48.14 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.217 1.007 . . . . 0.0 109.228 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.4 ' HB3' ' HB3' ' B' ' 39' ' ' CYS . 42.8 tttm -61.9 146.4 91.33 Favored Pre-proline 0 N--CA 1.449 -0.516 0 C-N-CA 126.531 1.932 . . . . 0.0 109.441 173.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.67 77.15 2.27 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.32 2.68 . . . . 0.0 109.555 174.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -65.87 -50.46 64.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.21 1.404 . . . . 0.0 110.479 -177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.64 63.82 0.2 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.77 146.02 58.85 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.185 2.59 . . . . 0.0 110.225 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 70.62 -67.59 0.24 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.417 1.887 . . . . 0.0 111.312 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.2 178.19 15.2 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.263 1.411 . . . . 0.0 111.175 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -87.46 60.23 3.59 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 125.008 3.805 . . . . 0.0 106.739 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -63.56 155.92 73.51 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.994 -169.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -58.13 144.16 95.58 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.452 2.102 . . . . 0.0 109.317 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 78.55 -51.32 0.47 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.354 1.861 . . . . 0.0 109.581 -169.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.25 1.128 0 C-N-CA 126.714 2.006 . . . . 0.0 111.619 171.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.445 H2'' " C1'" ' A' ' 2' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.572 2 O4'-C1'-N19 115.527 9.659 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.445 " C1'" H2'' ' A' ' 1' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.07 2 O4'-C1'-N19 115.444 9.554 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.507 2 O4'-C1'-N19 113.514 7.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.453 ' C6 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 1 P--O5' 1.634 4.11 3 O4'-C1'-N19 115.988 10.235 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 109.686 2.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.154 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -93.79 -104.83 0.13 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.922 0.889 . . . . 0.0 110.773 -169.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 mtp-105 49.68 45.73 24.27 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.59 1.156 . . . . 0.0 110.425 -169.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -67.1 -29.28 68.99 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.997 0.919 . . . . 0.0 111.542 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -145.3 161.7 38.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.389 1.076 . . . . 0.0 109.1 171.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t 56.08 -150.56 0.43 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.037 1.335 . . . . 0.0 111.104 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.38 -73.03 0.57 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.917 1.287 . . . . 0.0 108.173 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 46.34 53.76 9.23 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.235 1.814 . . . . 0.0 113.37 169.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.43 -173.67 4.47 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.309 0.644 . . . . 0.0 111.024 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -48.84 -75.75 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.216 2.206 . . . . 0.0 111.443 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.57 -25.17 62.26 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.08 1.752 . . . . 0.0 115.109 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -84.74 155.17 21.99 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.095 0.958 . . . . 0.0 112.813 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 43.8 t -63.92 140.65 58.89 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 122.96 0.504 . . . . 0.0 110.125 169.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.696 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -84.01 27.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.3 1.04 . . . . 0.0 112.706 -176.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -150.04 -54.69 0.16 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.51 1.524 . . . . 0.0 107.977 -169.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.06 -24.11 11.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.816 2.046 . . . . 0.0 111.423 -169.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.2 41.39 8.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.459 1.104 . . . . 0.0 110.079 -168.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 169.45 14.38 Favored 'General case' 0 C--N 1.341 0.204 0 CA-C-O 122.813 1.292 . . . . 0.0 114.128 -168.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . 0.305 79.8 tttt -27.1 -63.76 0.08 Allowed 'General case' 0 N--CA 1.434 -1.257 1 C-N-CA 133.263 4.625 . . . . 0.0 112.456 167.559 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.61 57.21 0.24 Allowed Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.474 -173.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -148.57 176.34 10.41 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.453 ' CH2' ' C6 ' ' A' ' 4' ' ' ' DC' . 0.0 OUTLIER -129.48 173.82 10.21 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 124.33 1.052 . . . . 0.0 111.819 -174.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -62.13 -39.12 91.51 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 176.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -44.55 12.65 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 128.05 2.54 . . . . 0.0 111.621 169.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -114.29 10.72 17.22 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.069 1.747 . . . . 0.0 112.48 -169.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 45.9 t -66.55 126.18 91.77 Favored Pre-proline 0 N--CA 1.451 -0.423 0 O-C-N 121.549 -0.719 . . . . 0.0 112.799 -168.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -85.75 -29.79 0.53 Allowed 'Trans proline' 0 N--CA 1.449 -1.137 1 C-N-CA 125.332 4.021 . . . . 0.0 112.454 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -73.25 -25.16 60.6 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.298 0.499 . . . . 0.0 110.971 -177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -59.48 133.21 88.52 Favored Pre-proline 0 N--CA 1.446 -0.642 0 C-N-CA 124.901 1.28 . . . . 0.0 109.443 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -49.84 106.07 0.11 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.911 3.074 . . . . 0.0 108.886 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -155.56 67.56 0.64 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -168.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.74 -167.24 38.98 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -55.22 151.3 36.29 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 124.265 3.31 . . . . 0.0 112.776 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 52.0 tpt85 -152.62 -48.18 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.095 0.958 . . . . 0.0 109.887 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.56 73.43 0.25 Allowed Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -87.04 56.58 3.28 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 124.381 3.387 . . . . 0.0 107.327 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -65.16 124.98 88.37 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-O 118.85 -0.595 . . . . 0.0 110.276 -168.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -81.51 59.31 7.23 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.428 2.752 . . . . 0.0 109.947 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -167.0 149.4 6.21 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.035 1.334 . . . . 0.0 108.017 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.369 -1.3 . . . . 0.0 108.873 169.423 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.552 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.537 3.204 1 C4'-C3'-C2' 98.015 -5.185 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.182 2 O4'-C1'-N19 115.024 9.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.407 ' C4 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 0 C5'--C4' 1.537 3.267 1 O4'-C1'-N19 112.589 5.987 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.421 " C5'" ' HE ' ' B' ' 23' ' ' ARG . . . . . . . . 0 P--O5' 1.628 3.469 4 O4'-C1'-N19 113.105 6.632 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.372 0 O5'-C5'-C4' 115.487 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.071 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -70.14 -45.98 65.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.402 0.681 . . . . 0.0 110.928 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 75.21 -57.02 0.61 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 126.977 2.111 . . . . 0.0 112.098 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 65.73 -126.24 0.31 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.07 1.748 . . . . 0.0 109.333 -177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 54.44 60.18 3.71 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 125.381 1.473 . . . . 0.0 111.441 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -157.5 -66.44 0.1 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.447 1.499 . . . . 0.0 107.763 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -144.61 167.57 22.22 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.49 1.516 . . . . 0.0 107.922 170.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 56.58 37.3 28.71 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.783 0.833 . . . . 0.0 110.247 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' B' ' 23' ' ' ARG . 20.3 t70 -93.14 -155.48 0.44 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.167 1.387 . . . . 0.0 112.593 -168.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.421 ' HE ' " C5'" ' A' ' 4' ' ' ' DC' . 9.0 mmt-85 -85.43 -35.27 21.38 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.502 1.521 . . . . 0.0 111.647 -169.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.2 -41.01 78.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.571 1.148 . . . . 0.0 112.032 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -107.88 154.4 21.64 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 113.415 -169.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.29 153.92 33.31 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.463 1.105 . . . . 0.0 110.126 169.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -101.1 46.09 0.95 Allowed 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.231 1.013 . . . . 0.0 111.543 178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -166.23 -48.49 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -172.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 36.4 m -105.85 -27.38 11.27 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.224 2.21 . . . . 0.0 109.531 -173.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp 65.08 23.77 12.45 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.739 0.816 . . . . 0.0 110.024 -171.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.25 138.43 33.87 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 128.147 2.579 . . . . 0.0 108.699 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -87.25 -34.65 18.87 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.777 1.231 . . . . 0.0 110.484 -171.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.14 -26.88 2.37 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.294 1.902 . . . . 0.0 113.948 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.448 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 8.9 p-80 -146.02 -168.97 3.13 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.249 1.025 . . . . 0.0 109.743 172.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.407 ' CH2' ' C4 ' ' A' ' 3' ' ' ' DG' . 0.1 OUTLIER -136.67 166.61 23.16 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 124.751 1.22 . . . . 0.0 109.941 179.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -57.32 -29.6 64.08 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -174.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -52.02 -52.41 50.96 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 124.355 1.062 . . . . 0.0 111.923 172.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.81 -32.08 18.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 127.206 2.203 . . . . 0.0 112.053 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 50.7 t -27.23 112.0 0.23 Allowed Pre-proline 0 N--CA 1.445 -0.679 0 C-N-CA 128.637 2.775 . . . . 0.0 115.29 -168.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.448 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 76.7 Cg_endo -71.9 -25.37 19.97 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 124.41 3.407 . . . . 0.0 112.546 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -80.4 -18.88 47.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.487 0.585 . . . . 0.0 111.57 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -68.11 143.25 95.85 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.291 1.036 . . . . 0.0 109.546 175.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.29 131.34 12.75 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.033 2.489 . . . . 0.0 109.05 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -137.4 160.71 38.31 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.079 1.352 . . . . 0.0 109.197 -174.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.54 162.92 53.41 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.88 160.51 49.17 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 C-N-CA 123.667 2.912 . . . . 0.0 111.196 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -80.9 73.1 7.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.652 0.781 . . . . 0.0 109.334 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.28 -178.77 19.3 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.472 1.511 . . . . 0.0 109.525 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -88.27 50.05 1.66 Allowed 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 124.248 3.298 . . . . 0.0 107.499 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.88 151.72 84.44 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.556 -168.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.22 150.77 24.18 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.394 2.729 . . . . 0.0 112.676 173.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.3 -39.97 94.98 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.45 0.7 . . . . 0.0 110.223 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.252 1.214 0 C-N-CA 125.084 1.354 . . . . 0.0 108.63 176.315 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.62 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.538 3.323 1 C4'-C3'-C2' 97.857 -5.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.252 1 O4'-C1'-N19 114.013 7.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.022 2 C5'-C4'-C3' 108.399 -4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 4 O4'-C1'-N19 112.776 6.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 0 P-O3'-C3' 122.903 2.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 CA-C-O 119.715 -0.492 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 67.31 99.45 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.807 1.643 . . . . 0.0 111.329 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -66.85 -58.44 5.02 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.268 0.627 . . . . 0.0 110.348 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 56.1 -120.51 1.5 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.819 1.247 . . . . 0.0 109.927 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -139.94 167.95 20.93 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.82 1.648 . . . . 0.0 107.861 172.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 42.2 p -78.41 61.86 2.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.529 1.132 . . . . 0.0 111.036 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.84 174.0 11.94 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.633 1.173 . . . . 0.0 110.178 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.56 82.44 1.73 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 171.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -72.14 -176.25 1.73 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.199 1.4 . . . . 0.0 111.938 -169.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -54.25 -52.07 62.53 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.823 1.249 . . . . 0.0 109.075 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.98 -57.25 11.35 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.472 2.309 . . . . 0.0 115.256 -176.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.45 165.78 13.21 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -167.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.81 135.78 57.52 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 124.282 1.033 . . . . 0.0 112.315 -175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.62 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -83.49 46.22 1.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.781 1.632 . . . . 0.0 112.475 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -168.85 -51.67 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 -172.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 12.9 m -113.12 -28.99 7.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.346 1.858 . . . . 0.0 110.487 -170.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.17 56.02 3.14 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 125.756 1.623 . . . . 0.0 109.382 -169.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -94.73 167.16 11.62 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 126.342 1.857 . . . . 0.0 111.035 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -34.52 -56.79 0.52 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 128.978 2.911 . . . . 0.0 113.867 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.44 56.03 0.29 Allowed Glycine 0 C--N 1.341 0.809 0 C-N-CA 121.108 -0.568 . . . . 0.0 114.506 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -148.28 169.21 20.6 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 167.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.37 166.54 18.48 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.897 0.879 . . . . 0.0 110.881 -175.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -60.33 -15.58 26.89 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -64.8 -59.32 4.36 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.66 0.664 . . . . 0.0 110.285 169.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.57 -27.96 41.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.97 1.708 . . . . 0.0 112.875 -172.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -34.83 126.76 0.52 Allowed Pre-proline 0 N--CA 1.451 -0.377 0 C-N-CA 128.384 2.674 . . . . 0.0 115.302 -168.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.5 -31.67 2.56 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.98 3.12 . . . . 0.0 110.957 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.97 -14.13 60.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.697 0.799 . . . . 0.0 112.191 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -59.87 127.67 85.76 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 124.016 0.926 . . . . 0.0 109.69 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.0 123.75 12.06 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.847 2.365 . . . . 0.0 109.925 -176.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 ptp85 42.55 41.84 2.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.486 1.915 . . . . 0.0 113.03 -174.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.8 -96.8 0.46 Allowed Glycine 0 CA--C 1.532 1.097 0 CA-C-O 119.097 -0.835 . . . . 0.0 111.667 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -73.78 153.1 48.05 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.668 2.912 . . . . 0.0 111.308 -173.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -52.78 127.23 22.63 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.439 1.095 . . . . 0.0 110.931 -177.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.99 -160.08 24.86 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -85.47 58.7 4.88 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 124.456 3.438 . . . . 0.0 106.843 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -68.97 152.58 96.75 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.923 -168.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.08 -48.96 19.02 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 123.894 3.062 . . . . 0.0 112.646 169.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 62.08 177.45 0.13 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.513 1.525 . . . . 0.0 111.846 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.16 -1.4 . . . . 0.0 108.379 -176.803 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.642 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.539 3.522 1 C4'-C3'-C2' 97.378 -5.822 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.416 ' C5 ' ' C2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.41 -3.318 1 O4'-C1'-N19 114.555 8.444 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.416 ' C2 ' ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.595 2 O4'-C1'-N19 111.243 4.304 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.818 4 O4'-C1'-N19 114.371 8.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 P-O3'-C3' 123.431 3.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 N-CA-C 112.006 -0.438 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.39 154.7 41.61 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.35 0.66 . . . . 0.0 109.988 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.86 166.35 7.43 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.113 0.965 . . . . 0.0 110.425 171.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -59.85 148.11 35.92 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.487 0.315 . . . . 0.0 110.875 174.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -105.41 177.05 4.96 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.433 1.093 . . . . 0.0 108.511 170.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -76.14 70.72 2.83 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.04 0.936 . . . . 0.0 109.792 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -158.88 -173.14 4.1 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.988 0.915 . . . . 0.0 110.764 -173.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -60.15 3.53 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.043 1.737 . . . . 0.0 113.012 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 57.41 -150.94 0.43 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.517 1.527 . . . . 0.0 110.46 -172.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -87.21 -35.13 18.72 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 123.692 0.797 . . . . 0.0 111.674 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.33 -56.84 13.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.158 1.383 . . . . 0.0 112.884 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -101.47 168.0 9.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.908 0.883 . . . . 0.0 113.364 -168.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 39.9 t -60.1 131.04 49.59 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 123.901 0.88 . . . . 0.0 111.618 176.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.642 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -77.63 48.47 0.68 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.876 1.67 . . . . 0.0 112.202 177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -169.91 -53.21 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -170.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.2 m -119.47 -27.6 5.52 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 125.676 1.591 . . . . 0.0 111.183 -169.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.69 55.45 2.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 126.484 1.914 . . . . 0.0 110.831 -169.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -85.04 165.82 17.21 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.289 1.435 . . . . 0.0 110.265 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -35.74 -57.55 0.65 Allowed 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 128.343 2.657 . . . . 0.0 113.943 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.79 50.65 0.5 Allowed Glycine 0 C--N 1.341 0.853 0 CA-C-O 119.482 -0.621 . . . . 0.0 114.486 -169.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -145.61 169.63 18.05 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 167.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.68 166.71 21.99 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.887 0.875 . . . . 0.0 111.318 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -62.08 -13.85 30.55 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.913 0.779 . . . . 0.0 112.517 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.33 -59.16 3.96 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.976 0.91 . . . . 0.0 109.93 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.35 -23.98 37.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.893 2.077 . . . . 0.0 113.716 -169.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 18.8 t -31.64 113.66 0.35 Allowed Pre-proline 0 N--CA 1.448 -0.543 0 C-N-CA 127.954 2.502 . . . . 0.0 115.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.25 -24.11 1.72 Allowed 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 124.076 3.184 . . . . 0.0 111.518 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -66.03 -45.51 81.22 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.799 1.24 . . . . 0.0 108.192 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -68.73 153.93 95.31 Favored Pre-proline 0 N--CA 1.446 -0.671 0 C-N-CA 128.105 2.562 . . . . 0.0 109.088 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.17 65.25 8.91 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.942 2.428 . . . . 0.0 109.139 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -155.55 50.6 0.56 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.885 1.674 . . . . 0.0 107.944 -174.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.97 -80.31 0.05 OUTLIER Glycine 0 CA--C 1.529 0.912 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -76.59 67.66 7.16 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 124.12 3.213 . . . . 0.0 109.367 174.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -155.17 98.38 2.0 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -172.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.7 58.15 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 N-CA-C 108.637 -1.785 . . . . 0.0 108.637 -171.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.32 0.1 OUTLIER 32.58 55.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.996 1 C-N-CA 128.055 5.837 . . . . 0.0 110.535 -174.913 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 39.14 99.36 0.03 OUTLIER Pre-proline 0 N--CA 1.43 -1.444 2 C-N-CA 132.189 4.195 . . . . 0.0 112.484 -168.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -82.94 56.73 5.73 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.555 2.837 . . . . 0.0 109.638 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 49.51 73.43 0.24 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.157 1.783 . . . . 0.0 111.406 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.55 -1.214 . . . . 0.0 107.748 173.343 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.591 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.537 3.259 1 C4'-C3'-C2' 98.153 -5.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.143 1 O4'-C1'-N19 114.26 8.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.401 ' C4 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 0 C5'--C4' 1.54 3.641 1 C5'-C4'-C3' 107.204 -4.998 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.542 4 O4'-C1'-N19 114.527 8.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.12 0 C4'-C3'-C2' 100.408 -2.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 111.984 -0.447 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 62.32 -98.47 0.07 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.449 1.499 . . . . 0.0 111.112 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 60.55 -81.3 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.775 2.03 . . . . 0.0 111.698 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -89.32 -45.75 9.27 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.302 1.041 . . . . 0.0 109.81 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -94.99 87.28 4.88 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.543 0.737 . . . . 0.0 111.487 -169.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.3 t -95.99 -96.08 0.19 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 169.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -147.23 156.83 43.29 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 124.869 1.267 . . . . 0.0 107.599 169.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 39.48 51.44 2.21 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.024 1.73 . . . . 0.0 112.123 -177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -87.17 -178.29 6.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.312 1.045 . . . . 0.0 111.223 -169.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -72.27 -23.92 61.27 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.222 169.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.19 -56.23 12.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.478 0.711 . . . . 0.0 111.294 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -82.27 151.87 26.59 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.138 1.375 . . . . 0.0 114.329 -168.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -61.48 134.72 57.19 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.591 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -62.61 -33.47 75.06 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -86.82 -53.84 4.69 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 127.032 2.133 . . . . 0.0 111.16 -171.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.52 -35.91 7.7 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 126.409 1.884 . . . . 0.0 110.761 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 56.0 47.53 19.65 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 124.099 0.874 . . . . 0.0 109.623 -168.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -82.3 171.54 14.12 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.563 1.145 . . . . 0.0 110.293 -175.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -12.92 -61.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.194 0 C-N-CA 130.629 3.572 . . . . 0.0 115.459 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.21 -0.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 CA-C-O 117.862 -1.521 . . . . 0.0 114.44 -173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.41 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 1.8 p-80 -75.79 168.86 19.25 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 120.179 1.99 . . . . 0.0 108.488 169.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.401 ' CH2' ' C4 ' ' A' ' 3' ' ' ' DG' . 0.0 OUTLIER -125.67 170.19 11.78 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 124.039 0.936 . . . . 0.0 111.492 -176.549 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.487 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -56.84 -28.23 61.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.39 0.541 . . . . 0.0 111.124 175.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -68.01 -42.56 80.5 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.458 0.703 . . . . 0.0 112.797 172.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -100.16 22.7 11.01 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.732 1.213 . . . . 0.0 110.397 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.63 120.95 84.02 Favored Pre-proline 0 N--CA 1.448 -0.532 0 O-C-N 121.596 -0.69 . . . . 0.0 111.533 -171.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 41.7 Cg_endo -83.18 -28.67 1.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 124.595 3.53 . . . . 0.0 112.532 177.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.28 72.59 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 123.635 0.774 . . . . 0.0 109.639 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -65.18 163.86 27.82 Favored Pre-proline 0 N--CA 1.438 -1.035 0 C-N-CA 125.722 1.609 . . . . 0.0 109.902 171.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -43.18 -44.95 9.83 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 124.806 3.67 . . . . 0.0 114.327 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 72.4 -67.9 0.24 Allowed 'General case' 0 C--N 1.343 0.302 0 C-N-CA 126.719 2.008 . . . . 0.0 109.852 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.32 -163.05 23.64 Favored Glycine 0 CA--C 1.533 1.156 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 170.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -78.17 68.48 7.87 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 123.763 2.975 . . . . 0.0 110.023 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -79.07 126.01 30.15 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.438 1.095 . . . . 0.0 109.157 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.19 -179.61 48.46 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -95.2 44.33 0.17 Allowed 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 124.972 3.782 . . . . 0.0 106.613 178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -62.55 -41.94 76.33 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-O 117.831 -1.081 . . . . 0.0 113.457 -168.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.16 123.14 13.13 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.686 2.257 . . . . 0.0 111.332 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -82.89 65.81 8.2 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.808 0.843 . . . . 0.0 109.353 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.664 -178.683 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.55 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.535 3.023 1 C4'-C3'-C2' 98.671 -4.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.935 1 O4'-C1'-N19 114.401 8.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.169 1 O4'-C1'-N19 111.82 5.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.312 4 O4'-C1'-N19 113.215 6.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 0 P-O3'-C3' 122.854 2.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.056 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -77.56 82.73 3.97 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.695 0.798 . . . . 0.0 110.297 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -80.08 57.15 2.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.516 0.726 . . . . 0.0 109.271 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 ttm105 -71.84 -56.32 5.95 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.497 1.119 . . . . 0.0 107.997 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -81.63 81.24 7.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 168.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 t -74.85 -94.46 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -150.57 157.95 43.59 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.909 1.684 . . . . 0.0 106.599 169.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 42.82 46.87 4.65 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.248 1.419 . . . . 0.0 112.211 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.87 -171.0 3.13 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.151 0.581 . . . . 0.0 110.397 -172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -59.71 -57.35 13.29 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.306 1.043 . . . . 0.0 109.268 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -57.97 -46.98 84.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.056 2.142 . . . . 0.0 114.253 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -70.5 156.15 39.76 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -169.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -64.66 123.41 19.23 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 169.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -63.35 -35.14 79.41 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 123.278 0.631 . . . . 0.0 112.504 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -75.83 -50.92 13.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.808 1.643 . . . . 0.0 111.598 -169.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 11.9 p -137.87 -3.84 1.8 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.657 1.183 . . . . 0.0 113.167 -169.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 55.5 3.4 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.583 1.553 . . . . 0.0 112.659 174.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -83.31 -145.46 0.08 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.437 1.495 . . . . 0.0 111.858 -174.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -82.52 -66.53 0.88 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.814 1.646 . . . . 0.0 111.741 -169.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.88 58.63 0.43 Allowed Glycine 0 C--N 1.342 0.875 0 CA-C-O 120.266 -0.186 . . . . 0.0 112.924 -169.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -151.11 -174.19 4.73 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 168.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.14 168.05 20.11 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.429 0.692 . . . . 0.0 111.347 -176.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -55.77 -35.88 66.74 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 118.311 0.505 . . . . 0.0 111.524 -177.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -51.58 -49.56 61.85 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.229 1.012 . . . . 0.0 111.847 172.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -98.68 5.73 47.48 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.028 1.731 . . . . 0.0 112.108 -169.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.99 123.24 68.1 Favored Pre-proline 0 N--CA 1.446 -0.627 0 CA-C-N 118.329 0.513 . . . . 0.0 111.989 -168.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.72 -27.48 3.98 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 125.011 3.807 . . . . 0.0 112.572 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -71.29 -43.12 67.74 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 127.554 2.342 . . . . 0.0 109.569 178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -55.25 145.0 48.58 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 126.837 2.055 . . . . 0.0 109.403 172.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.26 -27.48 1.17 Allowed 'Trans proline' 0 CA--C 1.535 0.536 1 C-N-CA 125.725 4.283 . . . . 0.0 116.713 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 78.15 -56.32 0.48 Allowed 'General case' 0 C--N 1.342 0.267 0 C-N-CA 126.64 1.976 . . . . 0.0 111.221 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.42 64.52 2.6 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.217 0.913 . . . . 0.0 110.863 -176.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -70.12 -42.33 3.12 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.266 2.644 . . . . 0.0 111.423 -177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 61.33 84.89 0.13 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.273 1.429 . . . . 0.0 112.038 171.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.71 173.56 43.28 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -97.91 51.84 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.018 1 C-N-CA 125.326 4.017 . . . . 0.0 106.207 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -65.75 144.7 98.96 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.438 -168.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -68.61 -39.23 9.42 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.913 2.409 . . . . 0.0 109.885 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -80.83 179.25 7.91 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.547 1.139 . . . . 0.0 110.138 173.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 C--O 1.251 1.14 0 CA-C-O 116.603 -1.665 . . . . 0.0 111.707 178.048 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.591 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.537 3.219 2 O4'-C1'-N19 112.974 6.468 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.43 2 O4'-C1'-N19 114.519 8.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.936 2 O4'-C1'-N19 114.569 8.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.477 ' C6 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 1 P--O5' 1.635 4.202 5 O4'-C1'-N19 116.665 11.081 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.927 0 C4'-C3'-C2' 101.344 -1.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.135 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -66.35 154.06 41.05 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.476 0.71 . . . . 0.0 110.624 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 76.31 -55.3 0.59 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 127.155 2.182 . . . . 0.0 111.213 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -76.18 69.85 2.77 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.383 1.073 . . . . 0.0 109.762 172.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 39.6 mtm105 -140.98 -179.69 6.22 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.472 1.909 . . . . 0.0 108.663 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.7 t -65.36 124.71 22.96 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 168.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -71.88 176.1 5.26 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.01 0.524 . . . . 0.0 111.441 -172.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 pp 32.62 84.37 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.264 2.626 . . . . 0.0 113.332 -174.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -65.87 -174.26 0.22 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.77 0.795 . . . . 0.0 110.411 170.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -48.43 -75.73 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.227 1.811 . . . . 0.0 111.601 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.93 -15.89 62.65 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -70.66 158.98 35.27 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.001 1.273 . . . . 0.0 112.745 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 t -73.64 143.04 46.46 Favored 'General case' 0 C--N 1.346 0.413 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.718 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -89.0 29.69 1.02 Allowed 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.71 1.204 . . . . 0.0 112.174 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -152.38 -55.48 0.13 Allowed 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 123.76 0.824 . . . . 0.0 108.951 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.55 -19.15 13.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 125.048 1.339 . . . . 0.0 111.163 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt 62.93 39.13 10.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.154 0.982 . . . . 0.0 108.457 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 171.92 9.91 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.253 1.421 . . . . 0.0 113.334 -168.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -26.91 -54.95 0.08 Allowed 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 129.827 3.251 . . . . 0.0 113.057 169.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 173.65 21.29 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 CA-C-O 118.513 -1.159 . . . . 0.0 112.897 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.449 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 0.1 OUTLIER -82.41 168.54 17.39 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 119.028 1.414 . . . . 0.0 107.419 169.209 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.477 ' CH2' ' C6 ' ' A' ' 4' ' ' ' DC' . 0.0 OUTLIER -115.71 170.44 8.45 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 123.503 0.721 . . . . 0.0 112.864 -174.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -68.24 -37.77 81.14 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 177.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -47.12 -50.83 19.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 128.459 2.704 . . . . 0.0 111.083 168.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -88.2 -33.51 18.12 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.899 2.08 . . . . 0.0 113.102 -170.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 11.0 t -26.02 103.74 0.14 Allowed Pre-proline 0 N--CA 1.446 -0.67 0 C-N-CA 130.631 3.572 . . . . 0.0 114.69 -167.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.449 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 37.1 Cg_endo -86.16 -15.0 4.72 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 124.849 3.7 . . . . 0.0 111.206 171.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -66.82 -36.09 81.56 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.57 1.948 . . . . 0.0 108.954 171.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -70.24 144.76 92.68 Favored Pre-proline 0 CA--C 1.538 0.482 0 C-N-CA 125.591 1.556 . . . . 0.0 106.878 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -72.8 -33.53 7.9 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.77 2.313 . . . . 0.0 111.639 -176.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 76.89 -58.38 0.51 Allowed 'General case' 0 C--N 1.341 0.209 0 C-N-CA 127.225 2.21 . . . . 0.0 111.426 175.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.48 67.11 2.03 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.16 -40.26 11.74 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 123.362 2.708 . . . . 0.0 111.427 -177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -153.54 102.32 2.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.95 74.55 0.22 Allowed Glycine 0 CA--C 1.528 0.859 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -86.63 56.54 3.53 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 124.283 3.322 . . . . 0.0 107.378 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.8 tpt85 -59.45 -42.95 95.07 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 117.779 -1.105 . . . . 0.0 113.438 -168.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.19 110.95 0.67 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.964 2.442 . . . . 0.0 111.26 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 54.77 54.39 9.2 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.804 1.242 . . . . 0.0 110.827 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.508 -1.234 . . . . 0.0 110.405 175.08 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.621 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.535 3.053 1 C4'-C3'-C2' 98.408 -4.792 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.114 1 O4'-C1'-N19 113.765 7.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.435 2 C5'-C4'-C3' 108.126 -4.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.96 2 O4'-C1'-N19 116.253 10.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 O4'-C1'-N19 109.153 1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -155.57 135.69 12.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.252 1.021 . . . . 0.0 108.341 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -82.71 57.7 3.91 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.006 0.922 . . . . 0.0 110.288 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -170.92 -70.4 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.56 1.544 . . . . 0.0 107.372 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -173.74 146.49 1.27 Allowed 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 126.014 1.725 . . . . 0.0 106.934 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -59.49 109.75 0.96 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.395 0.678 . . . . 0.0 109.728 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -69.32 172.95 6.29 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.683 0.754 . . . . 0.0 112.991 -174.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.32 38.83 25.96 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.554 1.542 . . . . 0.0 112.135 176.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -78.36 -174.78 3.91 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.82 1.248 . . . . 0.0 110.115 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 mmp_? -80.09 -23.67 41.12 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 123.662 0.785 . . . . 0.0 110.046 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -68.23 -62.68 1.29 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.655 1.182 . . . . 0.0 110.646 174.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -98.46 166.46 11.35 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.697 1.199 . . . . 0.0 113.06 -169.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.68 159.05 7.06 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.423 1.889 . . . . 0.0 113.349 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.628 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -101.39 -38.58 7.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.294 1.838 . . . . 0.0 111.355 -177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -75.46 -53.92 7.87 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.451 1.501 . . . . 0.0 111.033 -172.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -123.61 -17.27 6.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.905 1.682 . . . . 0.0 111.252 -170.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.66 39.28 2.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.958 0.503 . . . . 0.0 111.641 169.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.67 169.58 16.31 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.861 0.864 . . . . 0.0 112.373 -178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -14.73 -66.82 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 130.718 3.607 . . . . 0.0 115.968 172.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.44 -7.3 0.03 OUTLIER Glycine 0 CA--C 1.527 0.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 114.302 -169.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.457 ' CE1' ' HD2' ' B' ' 40' ' ' PRO . 1.4 p-80 -72.45 177.07 4.84 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 120.096 1.948 . . . . 0.0 108.649 169.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.52 173.35 7.74 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.293 0.637 . . . . 0.0 111.729 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.09 -31.95 73.41 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 tttm -45.75 -45.99 14.87 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 127.635 2.374 . . . . 0.0 111.907 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -103.55 -21.23 13.79 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.758 2.023 . . . . 0.0 113.218 -169.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . 0.433 ' HB3' ' HB2' ' B' ' 42' ' ' LYS . 17.1 t -38.03 120.58 1.01 Allowed Pre-proline 0 N--CA 1.446 -0.644 0 C-N-CA 126.68 1.992 . . . . 0.0 115.228 -167.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.457 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 44.0 Cg_endo -80.03 -29.03 2.84 Favored 'Trans proline' 0 N--CA 1.451 -1.02 1 C-N-CA 125.654 4.236 . . . . 0.0 112.307 177.413 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -64.42 -35.96 82.61 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.889 1.276 . . . . 0.0 110.112 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' B' ' 39' ' ' CYS . 0.2 OUTLIER -52.04 149.14 9.78 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 127.657 2.383 . . . . 0.0 111.04 -178.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -49.06 -36.22 34.83 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 124.527 3.485 . . . . 0.0 113.979 170.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 75.76 -55.39 0.61 Allowed 'General case' 0 C--N 1.342 0.278 0 C-N-CA 127.009 2.124 . . . . 0.0 111.592 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.46 76.18 0.89 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -54.48 -50.63 12.78 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 123.947 3.098 . . . . 0.0 112.582 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 66.52 -74.09 0.07 Allowed 'General case' 0 C--N 1.342 0.25 0 C-N-CA 126.746 2.019 . . . . 0.0 112.391 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.18 -169.62 16.28 Favored Glycine 0 CA--C 1.532 1.126 0 N-CA-C 108.23 -1.948 . . . . 0.0 108.23 -169.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -87.85 48.14 1.5 Allowed 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 124.136 3.224 . . . . 0.0 107.674 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.89 140.18 70.39 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-O 119.046 -0.502 . . . . 0.0 110.706 -169.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.5 -42.5 2.6 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 122.73 2.286 . . . . 0.0 109.312 169.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -77.88 -175.57 4.05 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.976 1.31 . . . . 0.0 110.644 172.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.966 172.597 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.475 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.536 3.091 2 O4'-C1'-N19 111.838 5.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.191 1 O4'-C1'-N19 114.703 8.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.653 2 C5'-C4'-C3' 107.409 -4.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.308 4 O4'-C1'-N19 113.254 6.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 0 P-O3'-C3' 122.893 2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -82.57 82.24 8.05 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.32 0.648 . . . . 0.0 111.34 -169.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.4 mtp85 57.34 -156.48 0.31 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.865 1.266 . . . . 0.0 111.229 169.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -61.71 124.88 21.95 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 169.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.62 88.19 0.11 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.881 1.272 . . . . 0.0 110.491 -173.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.4 t -67.02 -50.18 62.9 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.527 0.731 . . . . 0.0 109.703 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -152.07 -82.66 0.09 Allowed 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.05 61.62 6.89 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.658 1.183 . . . . 0.0 108.022 169.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t70 76.34 -170.0 0.08 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.973 2.109 . . . . 0.0 110.247 -169.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -127.05 -61.79 1.15 Allowed 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 127.46 2.304 . . . . 0.0 106.778 -177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.77 -39.07 84.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.895 2.078 . . . . 0.0 112.883 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -66.25 155.11 38.07 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.157 0.435 . . . . 0.0 111.077 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 27.9 t -57.38 123.67 16.26 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 123.486 0.714 . . . . 0.0 109.752 170.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.475 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -60.82 -29.59 69.57 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.508 -0.745 . . . . 0.0 112.824 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -82.41 -54.71 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.398 1.479 . . . . 0.0 111.788 -169.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.06 -18.23 5.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.047 1.739 . . . . 0.0 111.746 -170.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 69.73 37.51 1.85 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.913 0.885 . . . . 0.0 112.47 172.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -78.23 163.11 26.06 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 168.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -52.37 6.48 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.68 1.592 . . . . 0.0 111.575 -169.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.97 -50.87 49.79 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 125.205 1.383 . . . . 0.0 113.272 -169.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -101.67 -172.02 2.08 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.76 0.424 . . . . 0.0 110.092 -173.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.39 171.65 13.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.425 1.09 . . . . 0.0 110.658 -178.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' B' ' 27' ' ' ALA . . . -65.42 -21.02 66.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.652 0.66 . . . . 0.0 110.367 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -62.38 -34.5 76.83 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 125.274 1.43 . . . . 0.0 111.113 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -123.36 16.14 9.74 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.098 2.159 . . . . 0.0 112.91 -170.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 28.7 t -66.33 131.34 94.28 Favored Pre-proline 0 CA--C 1.536 0.442 0 O-C-N 120.779 -1.201 . . . . 0.0 111.215 -169.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.87 -20.49 10.31 Favored 'Trans proline' 0 N--CA 1.448 -1.161 0 C-N-CA 124.174 3.249 . . . . 0.0 111.07 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -70.29 -31.25 68.51 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.246 1.018 . . . . 0.0 110.828 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -67.22 150.96 97.61 Favored Pre-proline 0 N--CA 1.448 -0.569 0 C-N-CA 125.006 1.322 . . . . 0.0 110.777 -171.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -44.02 126.35 6.07 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 124.462 3.441 . . . . 0.0 111.364 169.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -158.28 155.11 28.28 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.07 0.948 . . . . 0.0 109.618 -169.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.77 -179.8 47.57 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.83 148.66 65.1 Favored 'Trans proline' 0 N--CA 1.454 -0.812 0 C-N-CA 123.672 2.915 . . . . 0.0 110.258 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.72 78.87 7.45 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.63 176.15 27.12 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.222 1.391 . . . . 0.0 110.3 -174.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.36 55.91 2.99 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 124.445 3.43 . . . . 0.0 107.109 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -71.03 139.96 85.57 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -168.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -72.29 156.42 54.97 Favored 'Trans proline' 0 N--CA 1.454 -0.849 0 C-N-CA 123.132 2.555 . . . . 0.0 110.489 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -153.18 79.96 1.19 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.163 -1.399 . . . . 0.0 108.645 -178.001 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.561 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.537 3.23 1 C4'-C3'-C2' 97.636 -5.564 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 2 O4'-C1'-N19 114.476 8.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.477 4.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.057 4 O4'-C1'-N19 114.654 8.567 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 P-O3'-C3' 123.745 3.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.092 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -52.53 8.0 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.431 1.892 . . . . 0.0 112.183 169.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -169.66 -42.52 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.731 1.613 . . . . 0.0 108.868 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -162.49 143.71 10.29 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.816 0.846 . . . . 0.0 110.277 169.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 90.16 49.41 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 127.758 2.423 . . . . 0.0 111.915 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.2 t -173.02 161.82 4.48 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 127.503 2.321 . . . . 0.0 107.604 169.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -65.88 171.31 4.5 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 45.86 52.89 9.41 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.114 1.765 . . . . 0.0 111.212 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -84.2 164.25 19.22 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -168.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -77.37 72.09 3.89 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 127.816 2.447 . . . . 0.0 107.33 169.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -179.77 -55.41 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.896 2.478 . . . . 0.0 108.758 -168.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -103.72 168.67 8.99 Favored 'General case' 0 C--N 1.345 0.403 0 C-N-CA 126.059 1.744 . . . . 0.0 112.462 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 46.7 t -63.19 149.82 44.48 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.394 1.078 . . . . 0.0 111.578 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -103.52 -7.5 20.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.609 1.164 . . . . 0.0 113.555 -174.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -108.82 -51.6 2.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 125.628 1.571 . . . . 0.0 108.072 -169.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -122.5 -16.79 7.19 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.762 2.025 . . . . 0.0 111.665 -170.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 mptt 59.57 43.54 15.8 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.124 1.37 . . . . 0.0 111.017 173.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.14 174.71 4.37 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.058 1.343 . . . . 0.0 113.672 -177.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -49.02 -62.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 127.733 2.413 . . . . 0.0 113.089 -177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.13 58.29 0.4 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 117.667 0.212 . . . . 0.0 113.593 -169.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -149.41 -177.75 6.03 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 168.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -124.67 173.3 8.62 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.656 1.182 . . . . 0.0 111.12 -174.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.651 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.05 -39.78 93.79 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -44.29 -36.26 2.68 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 128.37 2.668 . . . . 0.0 112.268 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -121.99 9.07 9.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.645 1.578 . . . . 0.0 112.883 -169.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 49.9 t -67.79 128.32 93.43 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 119.622 1.101 . . . . 0.0 111.661 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -79.57 -25.69 5.33 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.811 3.674 . . . . 0.0 111.13 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -70.75 -37.94 73.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.078 0.551 . . . . 0.0 109.837 175.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -65.88 135.02 95.23 Favored Pre-proline 0 N--CA 1.45 -0.438 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.52 87.99 0.77 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.128 2.552 . . . . 0.0 111.064 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -78.41 68.3 4.38 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.727 1.211 . . . . 0.0 109.158 173.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.62 -176.72 49.49 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 123.709 0.671 . . . . 0.0 111.718 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.57 107.38 1.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.86 3.04 . . . . 0.0 109.801 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 70.22 -72.6 0.11 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.992 2.117 . . . . 0.0 110.894 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.57 -159.88 34.79 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -93.47 40.85 0.23 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 124.447 3.431 . . . . 0.0 106.442 171.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -72.72 131.75 83.94 Favored Pre-proline 0 N--CA 1.445 -0.719 0 C-N-CA 123.184 0.593 . . . . 0.0 110.579 -167.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.2 -45.71 2.65 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.752 2.301 . . . . 0.0 110.315 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 56.39 47.4 19.05 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.241 1.416 . . . . 0.0 110.99 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.252 1.23 0 CA-C-O 117.154 -1.403 . . . . 0.0 108.357 178.787 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.503 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.536 3.07 2 O4'-C1'-N19 111.528 4.66 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.281 1 O4'-C1'-N19 114.463 8.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 1 C5'-C4'-C3' 108.101 -4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 4 O4'-C1'-N19 113.12 6.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 1 O5'-C5'-C4' 116.283 4.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -155.53 148.72 24.69 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.256 1.022 . . . . 0.0 108.392 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -74.99 71.01 2.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.371 1.068 . . . . 0.0 108.97 173.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -153.56 82.04 1.17 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.2 1.0 . . . . 0.0 108.826 -168.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -156.94 133.08 9.7 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.104 0.962 . . . . 0.0 108.723 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.5 t -160.36 -65.81 0.07 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.087 0.955 . . . . 0.0 109.173 176.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -84.34 179.25 7.49 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.042 0.937 . . . . 0.0 111.458 -174.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.02 67.82 0.83 Allowed 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 127.057 2.143 . . . . 0.0 112.741 174.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -132.9 -154.25 0.6 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.021 1.329 . . . . 0.0 109.304 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -70.62 -37.18 73.8 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 123.476 0.71 . . . . 0.0 111.052 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -49.75 -36.17 24.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.794 2.038 . . . . 0.0 112.776 -175.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -129.36 164.15 24.21 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.509 1.124 . . . . 0.0 111.465 -171.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.4 55.7 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.939 0.896 . . . . 0.0 109.726 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.503 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -70.04 -25.12 63.41 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -87.73 -59.37 2.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.084 1.354 . . . . 0.0 111.509 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 3.6 p -119.78 -12.34 9.24 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 126.217 1.807 . . . . 0.0 112.845 -168.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt 81.79 12.96 0.62 Allowed 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.068 0.947 . . . . 0.0 112.97 169.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -73.16 145.22 46.5 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.095 0.958 . . . . 0.0 109.482 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.31 -37.34 12.69 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.006 1.322 . . . . 0.0 110.471 -176.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -26.1 9.95 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.582 1.563 . . . . 0.0 113.861 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -139.81 -162.85 1.4 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.258 1.023 . . . . 0.0 109.588 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -137.54 173.04 12.09 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.304 1.442 . . . . 0.0 110.063 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.06 -27.66 68.94 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.632 0.651 . . . . 0.0 109.74 -178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -49.53 -40.8 39.21 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 127.28 2.232 . . . . 0.0 111.46 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -122.42 16.49 10.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.131 2.173 . . . . 0.0 112.855 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -73.47 126.02 90.24 Favored Pre-proline 0 CA--C 1.535 0.388 0 O-C-N 121.303 -0.873 . . . . 0.0 112.062 -169.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -76.1 -23.61 11.89 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.777 2.985 . . . . 0.0 110.768 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -67.0 -38.27 85.71 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttm -71.3 138.9 84.21 Favored Pre-proline 0 N--CA 1.443 -0.775 0 C-N-CA 124.969 1.308 . . . . 0.0 110.133 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.46 110.68 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.847 0 C-N-CA 124.351 3.367 . . . . 0.0 110.451 169.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 53.72 55.13 8.89 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.721 1.208 . . . . 0.0 111.338 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.32 -71.27 1.11 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -67.9 111.5 2.43 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.841 2.361 . . . . 0.0 108.538 176.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 66.08 106.76 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.079 1.752 . . . . 0.0 110.896 -170.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.71 176.64 19.98 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.511 1.053 . . . . 0.0 111.943 173.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.316 0.2 OUTLIER 29.61 55.35 0.0 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 1 C-N-CA 128.599 6.199 . . . . 0.0 112.561 175.697 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 30.86 142.63 0.0 OUTLIER Pre-proline 0 N--CA 1.437 -1.11 2 C-N-CA 135.425 5.49 . . . . 0.0 118.282 -169.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -76.51 -157.49 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.909 3.073 . . . . 0.0 109.575 169.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -51.22 -39.26 56.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.931 1.292 . . . . 0.0 112.187 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.005 0 C-N-CA 124.964 1.306 . . . . 0.0 109.834 175.651 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.562 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.534 2.913 1 C4'-C3'-C2' 98.614 -4.586 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 2 O4'-C1'-N19 115.047 9.058 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 1 O4'-C1'-N19 111.876 5.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 4 O4'-C1'-N19 113.542 7.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.91 0 O4'-C1'-N19 110.675 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -153.84 -67.44 0.14 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.086 0.955 . . . . 0.0 108.687 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 50.11 43.92 25.87 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.54 1.536 . . . . 0.0 111.376 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.5 ttm105 -167.0 -103.76 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -172.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 33.3 mtm105 -150.03 124.4 9.58 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.608 1.163 . . . . 0.0 108.804 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.2 t -54.35 -33.69 59.58 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.846 1.258 . . . . 0.0 112.03 176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -58.98 168.82 1.18 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.27 1.428 . . . . 0.0 112.207 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.24 57.64 0.77 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.821 1.648 . . . . 0.0 107.61 173.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -52.67 -86.23 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 126.811 2.044 . . . . 0.0 113.752 -169.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -143.47 -59.42 0.41 Allowed 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.47 1.108 . . . . 0.0 108.404 -169.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.73 -57.53 11.63 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.847 2.459 . . . . 0.0 113.888 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -86.21 165.78 16.24 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -168.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.7 t -55.91 162.02 2.01 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 124.568 1.147 . . . . 0.0 110.406 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.662 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -110.25 -41.25 4.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.897 1.279 . . . . 0.0 111.372 -178.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.56 -43.85 88.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.79 1.236 . . . . 0.0 111.093 -175.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.59 -14.48 1.45 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.765 1.626 . . . . 0.0 112.404 -172.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.21 32.77 20.96 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.866 1.266 . . . . 0.0 113.614 174.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.5 177.11 4.2 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -175.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -22.12 -81.81 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.208 1 C-N-CA 132.312 4.245 . . . . 0.0 116.203 173.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.12 49.48 0.6 Allowed Glycine 0 C--N 1.341 0.811 0 CA-C-N 117.893 0.315 . . . . 0.0 113.756 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -139.94 -171.77 3.25 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 167.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.26 170.57 14.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.431 1.092 . . . . 0.0 111.223 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.662 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -64.59 -40.72 96.02 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -49.77 -25.33 2.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.524 2.329 . . . . 0.0 112.331 168.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -128.79 21.19 5.94 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.428 1.491 . . . . 0.0 111.979 -173.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 t -77.9 123.7 86.29 Favored Pre-proline 0 CA--C 1.535 0.392 0 O-C-N 120.828 -1.17 . . . . 0.0 110.452 -169.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.64 -26.42 8.41 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.208 3.272 . . . . 0.0 111.859 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -69.98 -31.38 69.05 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.188 0.995 . . . . 0.0 111.399 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -52.49 131.56 44.71 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 124.203 1.001 . . . . 0.0 110.374 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -62.49 118.67 5.57 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.089 2.526 . . . . 0.0 109.479 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 53.25 65.47 1.51 Allowed 'General case' 0 C--N 1.341 0.197 0 C-N-CA 125.054 1.342 . . . . 0.0 108.83 -169.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.2 162.0 36.88 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.855 -174.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -58.87 -54.14 3.09 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 124.189 3.259 . . . . 0.0 110.001 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -71.55 163.99 26.7 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.261 0.625 . . . . 0.0 110.785 171.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 122.79 177.9 15.36 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.879 1.228 . . . . 0.0 110.928 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -88.13 64.54 3.42 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 124.452 3.434 . . . . 0.0 106.818 -176.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -46.63 -48.7 48.46 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -169.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -75.96 75.95 3.94 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.212 1.942 . . . . 0.0 109.985 174.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -122.12 42.46 3.13 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.792 1.637 . . . . 0.0 109.597 176.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.251 1.135 0 CA-C-O 116.808 -1.568 . . . . 0.0 109.269 -178.36 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.586 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.534 2.822 1 C4'-C3'-C2' 98.544 -4.656 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.191 1 O4'-C1'-N19 113.986 7.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.411 ' C4 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 0 C5'--C4' 1.537 3.194 2 C5'-C4'-C3' 107.178 -5.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 3 O4'-C1'-N19 114.899 8.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 P-O3'-C3' 123.609 3.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.208 0 CA-C-O 119.531 -0.594 . . . . 0.0 112.658 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -90.23 -75.36 0.46 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.437 0.695 . . . . 0.0 109.418 -174.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -167.64 -63.77 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.481 1.113 . . . . 0.0 108.816 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -165.18 -40.3 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.658 1.183 . . . . 0.0 110.012 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 74.19 -177.49 0.17 Allowed 'General case' 0 C--N 1.344 0.327 0 C-N-CA 125.106 1.362 . . . . 0.0 109.747 -171.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.0 p -75.15 61.14 1.1 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.791 1.236 . . . . 0.0 110.51 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -77.41 -75.13 0.22 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.564 1.146 . . . . 0.0 108.119 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -154.81 102.46 2.36 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.682 1.193 . . . . 0.0 108.446 170.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -87.52 -165.69 1.37 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.931 1.293 . . . . 0.0 110.312 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -79.54 -30.5 41.78 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 125.657 1.583 . . . . 0.0 109.655 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.86 -63.65 1.19 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.962 1.305 . . . . 0.0 112.341 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -92.25 167.56 11.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.341 1.057 . . . . 0.0 113.542 -168.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 44.9 t -58.28 158.58 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 126.638 1.975 . . . . 0.0 111.694 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.642 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -106.34 -33.55 7.73 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.514 1.526 . . . . 0.0 111.929 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -75.27 -47.58 27.3 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.0 1.32 . . . . 0.0 111.981 -174.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 5.0 p -126.63 -7.51 6.24 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 125.745 1.618 . . . . 0.0 111.24 -172.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm 73.22 15.61 4.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.915 0.886 . . . . 0.0 113.272 169.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.52 148.45 29.17 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.703 0.801 . . . . 0.0 110.748 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -86.19 -38.62 17.48 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.792 1.637 . . . . 0.0 110.94 -172.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.34 -18.33 9.73 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.261 1.41 . . . . 0.0 114.575 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -151.08 -165.86 2.38 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.332 1.066 . . . . 0.0 108.565 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.411 ' CH2' ' C4 ' ' A' ' 3' ' ' ' DG' . 0.0 OUTLIER -134.29 165.57 24.83 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 124.268 1.027 . . . . 0.0 111.67 -176.544 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.642 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -53.46 -37.76 62.94 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.091 0.556 . . . . 0.0 111.558 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.347 1.459 . . . . 0.0 111.551 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -105.47 10.3 33.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.247 1.819 . . . . 0.0 112.227 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 42' ' ' LYS . 26.4 t -63.18 123.1 79.21 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 119.161 0.891 . . . . 0.0 111.685 -169.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -82.09 -21.8 5.42 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 124.445 3.43 . . . . 0.0 111.091 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -69.74 -44.14 70.84 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.331 1.052 . . . . 0.0 108.693 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' B' ' 39' ' ' CYS . 64.9 tttp -65.26 142.08 98.38 Favored Pre-proline 0 N--CA 1.447 -0.578 0 C-N-CA 127.191 2.197 . . . . 0.0 110.151 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -44.5 114.07 0.55 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 124.51 3.473 . . . . 0.0 111.69 169.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -81.17 -46.09 15.4 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.014 0.925 . . . . 0.0 110.584 -169.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.42 176.18 45.43 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.05 156.6 55.72 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.702 2.934 . . . . 0.0 110.659 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -81.52 64.3 6.18 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.741 0.816 . . . . 0.0 109.924 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.84 -90.81 0.38 Allowed Glycine 0 CA--C 1.53 1.022 0 CA-C-O 117.541 -1.699 . . . . 0.0 109.945 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.288 0.1 OUTLIER 26.08 58.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.903 1 C-N-CA 129.115 6.543 . . . . 0.0 110.965 179.331 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 29.67 101.13 0.02 OUTLIER Pre-proline 0 N--CA 1.434 -1.263 2 C-N-CA 132.471 4.308 . . . . 0.0 113.436 -167.181 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.06 74.89 5.09 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.636 2.891 . . . . 0.0 110.972 -169.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.23 158.33 29.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.1 1.76 . . . . 0.0 106.378 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.547 -1.216 . . . . 0.0 110.028 179.282 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.609 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.538 3.355 2 C4'-C3'-C2' 98.148 -5.052 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.449 ' C5 ' ' C2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.135 1 O4'-C1'-N19 114.011 7.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.449 ' C2 ' ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 111.965 5.207 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.575 4 O4'-C1'-N19 114.021 7.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.035 0 C4'-C3'-C2' 100.639 -2.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 CA-C-O 119.427 -0.651 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 81.45 79.16 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.205 1.802 . . . . 0.0 113.058 168.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -162.38 87.82 0.63 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.659 0.784 . . . . 0.0 109.899 169.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 56.24 79.13 0.18 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.042 0.937 . . . . 0.0 111.959 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.26 60.59 5.65 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.308 0.575 . . . . 0.0 110.591 171.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -66.03 -48.04 72.42 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.181 0.992 . . . . 0.0 108.708 169.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -134.1 -47.21 0.78 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.76 1.624 . . . . 0.0 109.112 171.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.02 -122.43 0.09 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.761 1.624 . . . . 0.0 109.63 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 170.38 -115.17 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 129.739 3.216 . . . . 0.0 107.843 173.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.4 -58.41 1.61 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.241 1.417 . . . . 0.0 109.203 -169.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.81 -38.92 92.62 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 127.042 2.137 . . . . 0.0 114.198 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -94.04 170.91 9.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.554 1.142 . . . . 0.0 112.931 -169.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 48.7 t -58.91 148.68 29.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.695 0.798 . . . . 0.0 110.599 174.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -106.17 -17.03 14.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.717 1.607 . . . . 0.0 113.0 -175.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -88.95 -58.56 2.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.145 1.378 . . . . 0.0 110.956 -177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.15 -18.36 8.71 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 126.103 1.761 . . . . 0.0 112.374 -168.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm 68.6 28.43 5.8 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -95.76 149.23 21.73 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.8 mttp 27.5 -94.22 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 130.931 3.692 . . . . 0.0 115.582 169.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.45 69.0 0.28 Allowed Glycine 0 C--N 1.34 0.788 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -153.29 -171.05 3.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.45 1.5 . . . . 0.0 107.657 169.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.41 168.73 15.87 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.377 1.071 . . . . 0.0 110.931 -175.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -65.01 -39.79 93.97 Favored 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -176.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -47.37 -34.09 6.61 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 128.58 2.752 . . . . 0.0 112.472 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -117.85 10.66 13.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.194 1.798 . . . . 0.0 112.281 -172.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.37 123.69 88.9 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.253 -0.905 . . . . 0.0 111.855 -168.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -84.23 -17.93 5.31 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.299 3.333 . . . . 0.0 112.076 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -70.58 -40.37 73.32 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -80.4 153.92 74.05 Favored Pre-proline 0 N--CA 1.441 -0.915 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 167.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -60.62 17.84 0.04 OUTLIER 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.97 3.78 . . . . 0.0 115.697 169.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 71.87 -53.24 0.69 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 128.096 2.559 . . . . 0.0 111.672 -175.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.16 54.21 9.45 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-O 118.848 -0.973 . . . . 0.0 112.778 176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -65.93 134.24 36.53 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.289 1.993 . . . . 0.0 109.17 170.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.48 65.91 8.63 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.58 166.94 19.5 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 108.382 -1.887 . . . . 0.0 108.382 -170.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . 0.304 0.2 OUTLIER 28.88 55.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.849 1 C-N-CA 128.631 6.22 . . . . 0.0 111.937 177.083 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 43.06 137.19 0.0 OUTLIER Pre-proline 0 N--CA 1.437 -1.118 2 C-N-CA 134.616 5.166 . . . . 0.0 115.451 -168.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -70.77 -29.41 19.08 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.608 2.872 . . . . 0.0 112.182 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 72.14 174.96 0.29 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.856 1.662 . . . . 0.0 111.543 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.212 -1.375 . . . . 0.0 108.325 -177.749 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.578 " H2'" ' HB1' ' B' ' 27' ' ' ALA . . . . . . . . 0 C5'--C4' 1.536 3.149 1 C4'-C3'-C2' 98.517 -4.683 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.418 ' C5 ' ' C2 ' ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.411 -3.151 1 O4'-C1'-N19 114.446 8.307 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.418 ' C2 ' ' C5 ' ' A' ' 2' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.753 2 C5'-C4'-C3' 107.627 -4.715 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.933 3 O4'-C1'-N19 116.02 10.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C1'-N19 109.545 2.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.116 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -85.85 159.53 19.68 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.362 1.065 . . . . 0.0 110.394 -169.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 25.4 ttm105 -160.5 -45.87 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.842 0.857 . . . . 0.0 110.142 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 64.0 29.69 14.26 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.379 1.472 . . . . 0.0 110.822 -173.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -149.64 166.8 28.23 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.139 1.775 . . . . 0.0 107.46 176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.9 t -69.06 -59.49 3.0 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 174.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -142.3 -143.64 0.15 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 171.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.79 -11.42 59.99 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.093 0.406 . . . . 0.0 110.162 168.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 69.8 172.29 0.3 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 127.229 2.212 . . . . 0.0 114.356 168.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -79.31 -27.86 42.17 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 125.386 1.474 . . . . 0.0 111.529 -174.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -49.89 -32.47 14.64 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.558 1.943 . . . . 0.0 114.084 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -131.96 163.59 28.04 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.589 1.156 . . . . 0.0 112.313 -169.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 32.6 t -60.62 127.42 31.6 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 123.631 0.773 . . . . 0.0 109.806 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.578 ' HB1' " H2'" ' A' ' 1' ' ' ' DA' . . . -66.82 -32.06 73.09 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -78.42 -56.72 4.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.018 0.927 . . . . 0.0 111.039 -171.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 4.3 p -123.74 -19.79 5.66 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.51 1.524 . . . . 0.0 112.011 -169.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.51 65.49 1.44 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.239 1.018 . . . . 0.0 109.369 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -129.91 151.28 50.64 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 104.959 -2.238 . . . . 0.0 104.959 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -68.55 158.72 33.32 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 123.286 1.517 . . . . 0.0 113.388 -167.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.24 -37.1 3.5 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 111.775 -2.466 . . . . 0.0 112.672 168.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -122.96 -170.13 2.05 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.906 0.483 . . . . 0.0 111.329 -169.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -140.64 171.38 14.18 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.101 1.36 . . . . 0.0 109.879 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -59.95 -19.19 50.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -62.81 -40.72 98.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.956 0.902 . . . . 0.0 111.797 170.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -119.25 21.17 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.288 1.835 . . . . 0.0 112.145 -169.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' B' ' 42' ' ' LYS . 48.7 t -67.41 127.6 93.48 Favored Pre-proline 0 CA--C 1.539 0.521 0 O-C-N 121.159 -0.963 . . . . 0.0 111.009 -172.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.45 -31.83 2.52 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 123.689 2.926 . . . . 0.0 111.644 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -64.35 -32.91 74.7 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 110.251 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' B' ' 39' ' ' CYS . 10.9 tttm -48.39 143.18 7.56 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 127.577 2.351 . . . . 0.0 111.813 -176.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -58.72 74.23 0.05 OUTLIER 'Trans proline' 0 CA--C 1.54 0.796 1 C-N-CA 125.383 4.055 . . . . 0.0 113.168 169.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 39.4 mtm105 -72.88 -52.32 15.23 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.439 1.096 . . . . 0.0 109.8 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.64 70.18 0.19 Allowed Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -77.75 70.52 6.92 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.813 3.009 . . . . 0.0 109.895 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -160.55 148.07 16.0 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.558 1.143 . . . . 0.0 108.696 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.53 83.55 0.36 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 109.254 -1.539 . . . . 0.0 109.254 175.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -93.99 -148.35 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 124.557 3.505 . . . . 0.0 105.977 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -147.51 163.26 28.64 Favored Pre-proline 0 CA--C 1.536 0.421 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 168.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -48.66 -47.2 21.54 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.357 2.705 . . . . 0.0 111.396 170.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.54 89.74 3.18 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 169.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 95.2 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.706 -1.616 . . . . 0.0 110.028 -178.096 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.05 2 O4'-C1'-N19 113.728 7.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.4 1 O4'-C1'-N19 114.217 8.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.709 1 O4'-C1'-N19 111.075 4.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.406 ' C6 ' ' CH2' ' B' ' 35' ' ' TRP . . . . . . . . 1 P--O5' 1.634 4.062 4 O4'-C1'-N19 114.324 8.155 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 0 P-O3'-C3' 123.583 3.236 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.157 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.01 173.13 10.71 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.59 1.156 . . . . 0.0 109.802 -170.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -88.36 -60.96 1.82 Allowed 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 169.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -154.7 65.38 0.67 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 170.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 62.81 89.43 0.09 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.907 1.683 . . . . 0.0 108.523 -169.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.1 m -79.23 61.22 3.28 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.356 1.062 . . . . 0.0 111.235 -171.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 65.18 161.63 0.13 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 127.491 2.316 . . . . 0.0 113.256 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.8 -60.73 1.63 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 168.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -164.0 167.49 20.39 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.685 0.794 . . . . 0.0 109.901 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -100.25 -31.17 11.5 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 127.35 2.26 . . . . 0.0 110.009 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.31 -63.28 1.44 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.905 1.282 . . . . 0.0 111.854 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -90.05 164.07 14.65 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.657 1.183 . . . . 0.0 112.445 -171.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' CYS . . . . . . . . . . . . . 40.5 t -61.36 142.6 56.8 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.206 1.003 . . . . 0.0 112.079 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.604 ' HB3' ' HB2' ' B' ' 36' ' ' ALA . . . -86.03 22.71 1.65 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.6 1.56 . . . . 0.0 112.513 -177.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -146.78 -56.73 0.26 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.884 1.274 . . . . 0.0 107.934 -169.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.83 -31.19 10.85 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 127.504 2.322 . . . . 0.0 110.828 -173.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.73 55.9 4.11 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.826 1.25 . . . . 0.0 109.021 -169.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.95 -159.42 0.38 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.545 -1.662 . . . . 0.0 112.058 -169.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -74.48 -56.54 4.72 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.893 1.277 . . . . 0.0 110.247 -174.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.15 51.24 0.44 Allowed Glycine 0 C--N 1.341 0.836 0 N-CA-C 114.228 0.451 . . . . 0.0 114.228 -169.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -145.76 174.4 11.25 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 167.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . 0.406 ' CH2' ' C6 ' ' A' ' 4' ' ' ' DC' . 0.2 OUTLIER -131.25 167.45 19.18 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.596 1.158 . . . . 0.0 110.554 -169.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' B' ' 27' ' ' ALA . . . -57.76 -33.81 68.9 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.792 0.806 . . . . 0.0 110.361 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -52.4 42.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 129.388 3.075 . . . . 0.0 111.588 171.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -98.17 4.33 49.0 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.889 2.076 . . . . 0.0 111.776 -170.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 22.3 t -62.47 126.45 88.14 Favored Pre-proline 0 N--CA 1.443 -0.776 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -167.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.25 -32.08 2.54 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 124.033 3.155 . . . . 0.0 112.212 174.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -79.09 -23.92 43.81 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.212 1.005 . . . . 0.0 111.687 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -74.36 141.9 77.59 Favored Pre-proline 0 N--CA 1.448 -0.544 0 C-N-CA 125.233 1.413 . . . . 0.0 108.249 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -38.38 101.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 1 C-N-CA 125.514 4.143 . . . . 0.0 112.944 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -81.8 71.89 8.83 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.077 0.951 . . . . 0.0 110.464 -169.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.01 86.89 0.38 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -175.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -53.78 101.78 0.07 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 124.649 3.566 . . . . 0.0 112.006 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -142.53 -57.48 0.44 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 125.025 1.33 . . . . 0.0 109.162 -173.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.35 71.37 0.97 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -174.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -85.98 58.64 4.46 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 124.381 3.387 . . . . 0.0 107.075 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -67.26 159.25 78.31 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.65 -168.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -49.69 -32.99 30.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 124.108 3.205 . . . . 0.0 114.042 174.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -76.23 70.31 2.85 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.815 0.846 . . . . 0.0 109.203 174.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 C--O 1.252 1.195 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.672 -179.224 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_