data_2ms0_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 2ms0 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.37 124.62 32.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.387 1.475 . . . . 0.0 113.614 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.02 -19.5 64.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -87.23 -38.67 16.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.77 -4.61 7.02 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 -177.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 73.02 1.72 4.13 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 127.981 2.513 . . . . 0.0 115.579 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.18 162.89 16.2 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.376 0.989 . . . . 0.0 112.151 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -110.48 144.42 39.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.465 1.506 . . . . 0.0 111.741 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.26 -7.81 32.71 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.536 1.541 . . . . 0.0 114.736 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -152.43 177.03 11.04 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.716 1.606 . . . . 0.0 111.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -119.62 167.7 11.75 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.605 1.962 . . . . 0.0 109.714 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.64 -36.38 24.41 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -55.26 -17.33 4.4 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.899 2.079 . . . . 0.0 114.549 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -132.35 14.38 4.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.937 2.095 . . . . 0.0 112.432 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t . . . . . 0 CA--C 1.555 1.158 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -177.603 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.53 128.47 35.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.555 1.542 . . . . 0.0 114.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.02 -19.45 60.05 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 121.421 -0.799 . . . . 0.0 112.936 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -79.81 -34.54 39.47 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -137.11 -4.37 1.92 Allowed 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 76.54 -3.05 2.6 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 127.727 2.411 . . . . 0.0 115.626 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.44 154.09 39.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.799 1.182 . . . . 0.0 112.674 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -102.92 141.34 35.89 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.103 1.361 . . . . 0.0 111.775 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.12 -7.03 21.42 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 126.279 1.895 . . . . 0.0 114.949 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -154.94 177.53 11.2 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.96 1.304 . . . . 0.0 112.898 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -115.09 165.46 12.88 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.321 2.248 . . . . 0.0 109.332 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.43 53.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.209 1.004 . . . . 0.0 112.913 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.83 -14.55 9.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.968 1.707 . . . . 0.0 114.411 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.25 12.61 5.56 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.189 2.196 . . . . 0.0 111.992 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.08 131.7 89.66 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 123.66 0.784 . . . . 0.0 111.334 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--N 1.352 0.761 0 C-N-CA 122.92 2.413 . . . . 0.0 113.163 179.527 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.7 t -85.73 127.37 34.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.317 1.847 . . . . 0.0 112.413 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.84 66.93 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -83.75 -57.09 3.36 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 p -102.21 -7.5 22.11 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 70.05 10.02 7.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.04 172.23 10.44 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.949 0.9 . . . . 0.0 110.924 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -111.2 164.66 12.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 114.026 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.55 -1.6 88.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.627 1.584 . . . . 0.0 115.582 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -155.35 172.44 18.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.323 1.449 . . . . 0.0 111.956 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -113.25 166.18 11.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.597 1.959 . . . . 0.0 109.834 176.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.29 -32.95 18.33 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -52.92 -24.03 8.4 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.66 1.984 . . . . 0.0 114.255 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.49 16.0 7.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.584 1.953 . . . . 0.0 112.874 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 CA--C 1.555 1.165 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -176.862 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 CA--C 1.552 1.033 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 14.0 t -105.31 129.56 53.63 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.305 1.842 . . . . 0.0 109.844 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.77 74.37 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.49 -36.04 29.73 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.48 -6.34 7.0 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.25 32.0 mmtp 73.47 3.92 4.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.943 2.097 . . . . 0.0 115.534 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.0 177.96 2.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.401 1.08 . . . . 0.0 110.68 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -130.96 161.05 32.76 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.315 1.046 . . . . 0.0 113.589 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.68 -4.66 59.7 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.582 1.563 . . . . 0.0 113.56 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -154.72 168.59 26.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.107 2.163 . . . . 0.0 110.43 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -109.17 166.86 10.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.489 1.516 . . . . 0.0 110.355 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.65 23.32 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.22 -20.92 12.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.36 2.264 . . . . 0.0 113.537 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.27 16.68 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.998 2.119 . . . . 0.0 113.026 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.2 122.11 28.27 Favored Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo . . . . . 0 C--N 1.356 0.954 0 C-N-CA 122.923 2.416 . . . . 0.0 113.406 -178.357 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.8 t -77.16 131.23 38.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.652 1.581 . . . . 0.0 113.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.3 -8.48 56.39 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -106.91 -25.91 11.44 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.551 1.685 . . . . 0.0 115.551 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.01 -3.34 2.5 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 69.72 2.6 3.89 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.144 2.178 . . . . 0.0 115.189 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.76 154.55 29.29 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.672 1.124 . . . . 0.0 111.644 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -87.81 160.48 18.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.521 1.528 . . . . 0.0 113.504 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.73 0.75 56.41 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.136 1.614 . . . . 0.0 117.136 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -148.07 171.56 15.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.257 1.529 . . . . 0.0 112.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -120.79 163.48 18.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.261 1.824 . . . . 0.0 111.328 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.53 -37.86 18.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.773 1.229 . . . . 0.0 112.547 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -52.63 -22.25 4.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.649 1.98 . . . . 0.0 114.417 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -129.03 12.76 6.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.7 2.0 . . . . 0.0 113.29 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 CA--C 1.552 1.034 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -176.413 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 43.0 t -74.93 130.96 40.29 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.354 -1.467 . . . . 0.0 112.19 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.76 -17.8 61.6 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -106.67 -70.54 0.79 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -82.72 -9.34 59.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.257 1.39 . . . . 0.0 114.56 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mttp 70.99 7.95 6.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.583 2.353 . . . . 0.0 115.359 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.33 166.43 16.58 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.284 0.947 . . . . 0.0 111.094 172.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -108.12 159.39 16.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 93.15 -3.79 73.46 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.604 1.573 . . . . 0.0 115.283 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -154.0 170.17 21.73 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.221 1.408 . . . . 0.0 112.077 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -109.59 163.41 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.516 1.926 . . . . 0.0 109.962 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.66 -35.39 60.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.18 -8.0 7.11 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.919 1.288 . . . . 0.0 114.055 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.71 10.81 5.16 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.711 2.404 . . . . 0.0 111.931 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.5 t -59.27 129.51 86.6 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 124.755 1.222 . . . . 0.0 113.447 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.354 0.862 0 C-N-CA 123.378 2.718 . . . . 0.0 113.391 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.74 143.59 26.38 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.525 1.13 . . . . 0.0 113.222 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.0 -1.71 48.4 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.97 1.308 . . . . 0.0 113.486 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -110.0 -28.72 8.57 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -132.34 -4.05 3.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 176.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 71.96 5.4 5.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.463 2.305 . . . . 0.0 115.69 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.19 -179.3 1.53 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.647 1.179 . . . . 0.0 112.814 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.65 160.2 23.76 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.247 1.419 . . . . 0.0 113.036 -178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.33 -2.5 87.77 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.345 1.45 . . . . 0.0 116.065 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -152.65 174.48 13.93 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.144 1.378 . . . . 0.0 111.659 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -120.34 168.45 11.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.514 1.925 . . . . 0.0 110.712 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.41 -41.0 8.76 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.968 1.707 . . . . 0.0 112.792 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -52.89 -20.1 3.06 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.479 2.312 . . . . 0.0 114.681 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.25 13.23 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.241 2.216 . . . . 0.0 112.277 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 CA--C 1.553 1.087 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -175.784 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 42.9 t -82.52 131.43 35.21 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.277 1.431 . . . . 0.0 114.628 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.94 6.51 15.73 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -117.31 -33.71 4.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.268 1.427 . . . . 0.0 114.191 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.36 -3.13 3.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 76.48 -6.3 2.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.028 2.531 . . . . 0.0 115.134 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.88 164.14 10.74 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.963 1.256 . . . . 0.0 112.479 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -115.63 157.19 24.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.66 1.184 . . . . 0.0 113.243 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.92 -3.9 58.89 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.884 1.707 . . . . 0.0 113.875 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -155.6 173.56 16.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.76 1.624 . . . . 0.0 112.39 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -113.93 161.07 18.1 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.895 2.078 . . . . 0.0 110.229 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.27 -39.66 45.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.786 1.234 . . . . 0.0 113.778 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -54.55 -22.14 12.28 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.614 1.566 . . . . 0.0 113.93 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.56 14.55 6.53 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.895 2.078 . . . . 0.0 112.671 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.2 t -57.11 135.32 80.61 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.837 1.255 . . . . 0.0 113.807 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo . . . . . 0 CA--C 1.541 0.866 0 C-N-CA 123.019 2.479 . . . . 0.0 113.386 174.155 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.06 134.1 35.32 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.442 1.497 . . . . 0.0 112.825 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.65 -27.74 66.27 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -87.38 -69.0 0.71 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 p -89.93 -6.88 55.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 72.52 4.62 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.293 2.237 . . . . 0.0 115.23 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -66.76 168.73 9.05 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.208 0.913 . . . . 0.0 112.086 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -108.65 163.49 13.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.39 1.476 . . . . 0.0 113.043 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.3 -3.57 85.87 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.313 1.435 . . . . 0.0 115.551 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -153.91 171.96 18.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.992 1.317 . . . . 0.0 112.194 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -116.54 163.54 15.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.86 2.064 . . . . 0.0 110.432 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.97 -35.41 15.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.129 1.372 . . . . 0.0 113.006 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.04 -22.94 2.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.241 1.817 . . . . 0.0 114.038 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -131.42 15.51 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.023 2.129 . . . . 0.0 113.324 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.553 1.071 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -176.396 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 119.81 -0.138 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.28 121.27 18.16 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.046 -1.659 . . . . 0.0 111.403 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.4 -15.76 62.88 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.529 -0.732 . . . . 0.0 112.68 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.87 -36.7 12.1 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.28 -6.94 7.05 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.292 80.2 mttt 73.65 7.9 5.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.351 2.261 . . . . 0.0 115.664 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -70.24 175.38 4.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.585 0.754 . . . . 0.0 110.644 171.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 143.04 51.23 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.913 -1.117 . . . . 0.0 112.1 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 111.99 -2.63 27.12 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.446 1.974 . . . . 0.0 114.435 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -156.0 -179.67 8.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.982 1.313 . . . . 0.0 113.234 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -120.94 167.3 12.71 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.528 2.331 . . . . 0.0 109.945 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.72 -38.86 16.17 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.603 1.161 . . . . 0.0 113.007 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -52.57 -22.43 4.96 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.977 2.111 . . . . 0.0 114.524 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.97 8.41 5.22 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.562 1.945 . . . . 0.0 112.865 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 36.8 t -54.12 124.57 46.26 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.238 1.415 . . . . 0.0 113.505 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 CA--C 1.54 0.822 0 C-N-CA 123.083 2.522 . . . . 0.0 113.034 179.184 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -73.15 128.62 36.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.336 1.454 . . . . 0.0 112.008 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.82 -13.86 62.48 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -106.43 -33.99 7.55 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.93 -2.72 9.71 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 72.67 -5.99 1.73 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.722 2.409 . . . . 0.0 114.55 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.62 163.12 9.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.664 1.12 . . . . 0.0 112.398 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 156.73 19.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.104 1.361 . . . . 0.0 113.5 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.01 -4.41 65.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.334 1.445 . . . . 0.0 114.799 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.92 170.8 20.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.295 1.438 . . . . 0.0 111.994 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -113.23 163.48 14.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.487 1.915 . . . . 0.0 109.792 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.36 -34.28 15.6 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -53.94 -24.26 15.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.024 1.73 . . . . 0.0 114.147 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -125.56 16.01 8.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.602 1.961 . . . . 0.0 112.705 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.554 1.121 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.139 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 120.621 0.248 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.4 t -73.61 127.62 33.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.838 1.255 . . . . 0.0 112.843 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.75 8.47 14.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -114.31 -35.03 5.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 114.021 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.38 -5.92 5.35 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 80.7 mttt 78.38 -5.59 2.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.401 2.681 . . . . 0.0 115.801 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -65.55 159.86 23.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.03 1.286 . . . . 0.0 112.37 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -114.42 146.54 40.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.566 1.146 . . . . 0.0 112.034 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 112.9 -3.21 25.78 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.672 2.082 . . . . 0.0 113.622 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -157.43 -179.89 8.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.067 1.747 . . . . 0.0 111.998 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -120.29 166.8 13.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.077 2.151 . . . . 0.0 109.51 176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.1 21.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.482 1.113 . . . . 0.0 112.413 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -49.11 -29.09 4.82 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.798 2.439 . . . . 0.0 113.996 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -129.35 18.03 5.92 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.195 2.198 . . . . 0.0 112.812 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 40.1 t -57.65 128.03 79.17 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo . . . . . 0 CA--C 1.541 0.846 0 C-N-CA 122.72 2.28 . . . . 0.0 112.552 177.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.208 0.527 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.48 126.82 30.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.648 1.579 . . . . 0.0 114.369 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.84 -15.98 63.19 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.053 -1.03 . . . . 0.0 113.439 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -93.68 -62.18 1.41 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.37 -10.21 24.11 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.273 12.0 mptt 72.51 6.82 5.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.832 2.453 . . . . 0.0 115.236 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.11 165.22 22.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.516 1.053 . . . . 0.0 111.266 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -103.06 162.32 13.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.953 1.301 . . . . 0.0 113.89 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.42 0.21 73.57 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 126.116 1.817 . . . . 0.0 115.106 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -158.97 177.49 11.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.242 1.417 . . . . 0.0 112.514 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -114.85 166.14 12.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.997 2.119 . . . . 0.0 109.372 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.84 39.24 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.5 0.72 . . . . 0.0 112.867 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -51.28 -25.94 6.56 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.982 2.113 . . . . 0.0 114.267 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -128.24 18.15 6.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.838 1.655 . . . . 0.0 113.322 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 CA--C 1.556 1.182 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -178.485 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.76 126.82 52.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.244 1.818 . . . . 0.0 110.499 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.12 -2.67 19.43 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -109.78 -40.05 4.92 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.91 1.232 . . . . 0.0 114.305 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.9 -4.28 9.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 84.0 mttt 72.97 2.01 4.23 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.945 2.098 . . . . 0.0 115.129 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.29 176.68 1.7 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.362 0.983 . . . . 0.0 111.091 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -124.65 157.74 34.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.991 1.317 . . . . 0.0 113.001 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.42 66.86 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.752 1.644 . . . . 0.0 114.628 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -154.92 165.1 37.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.165 1.786 . . . . 0.0 111.002 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -106.3 169.08 8.72 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.701 1.6 . . . . 0.0 110.751 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.61 -41.0 54.36 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.026 0.93 . . . . 0.0 112.926 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -58.0 -13.89 5.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.197 1.799 . . . . 0.0 114.623 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.41 11.69 4.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.929 2.092 . . . . 0.0 112.173 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 33.7 t -56.94 124.06 62.78 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 124.612 1.165 . . . . 0.0 112.758 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo . . . . . 0 C--N 1.353 0.789 0 C-N-CA 123.214 2.609 . . . . 0.0 113.289 -179.146 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -98.46 131.5 44.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.503 1.521 . . . . 0.0 111.579 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.59 -10.33 59.44 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.27 -32.58 6.23 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.372 2.36 . . . . 0.0 117.372 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 -2.66 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER 76.43 -3.49 2.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 128.613 2.765 . . . . 0.0 115.425 178.523 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.25 173.14 2.11 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.31 163.5 18.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.247 2.219 . . . . 0.0 111.826 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.94 -6.68 65.58 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.647 1.118 . . . . 0.0 114.894 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -149.59 169.34 21.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.947 1.699 . . . . 0.0 110.782 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -120.44 166.66 13.27 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.776 1.63 . . . . 0.0 110.201 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.81 -37.64 6.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.505 1.122 . . . . 0.0 113.919 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -56.36 -22.55 31.84 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.907 1.683 . . . . 0.0 115.074 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.49 10.78 9.19 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.615 1.966 . . . . 0.0 112.166 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 124.712 1.205 . . . . 0.0 113.411 -178.223 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.46 129.86 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.476 -1.39 . . . . 0.0 113.383 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.95 -27.29 60.13 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.513 -0.742 . . . . 0.0 112.525 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -78.27 -39.04 41.26 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.0 -5.16 6.23 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.256 70.6 mmtt 71.18 5.2 5.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.038 2.135 . . . . 0.0 115.666 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.08 141.1 54.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.064 1.302 . . . . 0.0 111.289 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -87.5 143.05 27.41 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.436 1.094 . . . . 0.0 111.679 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 110.11 -8.3 31.18 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.332 1.444 . . . . 0.0 116.505 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -151.22 178.4 9.28 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.232 1.516 . . . . 0.0 112.87 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -118.5 156.54 28.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.849 2.06 . . . . 0.0 110.909 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.24 -39.35 44.52 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.849 1.66 . . . . 0.0 113.122 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.18 -22.36 6.44 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.699 1.6 . . . . 0.0 113.506 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -131.82 15.93 4.78 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.03 2.132 . . . . 0.0 113.112 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 31.5 t -56.37 132.39 76.21 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.788 1.235 . . . . 0.0 113.801 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo . . . . . 0 CA--C 1.542 0.914 0 C-N-CA 123.254 2.636 . . . . 0.0 112.515 177.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.921 0.391 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.87 131.17 44.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.382 1.473 . . . . 0.0 112.957 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.57 -13.35 60.35 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -100.92 -32.98 10.39 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.88 -3.94 8.12 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 72.01 -0.41 3.23 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.504 2.322 . . . . 0.0 115.073 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.57 159.26 30.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.476 1.035 . . . . 0.0 111.848 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -109.23 154.89 21.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.939 1.296 . . . . 0.0 112.109 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.23 56.9 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.484 1.516 . . . . 0.0 114.505 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -152.02 179.1 8.77 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.658 1.583 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -121.18 161.91 21.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.442 1.897 . . . . 0.0 109.726 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -33.68 22.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.235 1.014 . . . . 0.0 113.406 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -50.42 -29.5 10.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.365 1.866 . . . . 0.0 113.407 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -127.09 19.52 7.01 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.407 1.883 . . . . 0.0 112.977 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 -178.683 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -57.76 128.88 39.32 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.355 -1.466 . . . . 0.0 113.79 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.28 -22.27 66.77 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -94.36 -74.5 0.54 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.01 1.324 . . . . 0.0 114.056 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.72 -10.53 58.86 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -175.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm 72.14 13.0 5.85 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.838 2.055 . . . . 0.0 114.875 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.61 149.86 49.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.963 1.256 . . . . 0.0 110.357 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -105.89 118.54 36.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.745 1.157 . . . . 0.0 110.627 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.4 -14.07 1.83 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.102 1.81 . . . . 0.0 114.527 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -152.95 172.85 16.17 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 112.665 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -109.75 157.23 19.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.463 1.905 . . . . 0.0 111.122 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.07 -35.75 11.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.54 1.536 . . . . 0.0 114.235 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -51.19 -24.8 4.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.687 1.995 . . . . 0.0 114.015 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -129.87 17.32 5.7 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.52 1.928 . . . . 0.0 113.199 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 38.3 t -56.16 130.16 74.15 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--N 1.356 0.928 0 C-N-CA 122.863 2.375 . . . . 0.0 112.758 177.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.522 0.677 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.5 t -74.81 130.48 39.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.655 1.582 . . . . 0.0 113.358 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.72 -13.81 60.65 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -93.31 -71.02 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.665 1.12 . . . . 0.0 112.178 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -88.24 -5.78 58.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt 74.31 3.03 4.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.872 2.469 . . . . 0.0 114.438 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.94 150.67 48.26 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.469 1.031 . . . . 0.0 113.141 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.01 146.61 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.089 1.756 . . . . 0.0 110.864 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.51 -6.69 45.59 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.304 1.431 . . . . 0.0 115.215 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -151.87 -179.47 7.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 111.821 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -124.32 164.33 19.83 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.506 1.923 . . . . 0.0 110.038 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.17 -33.84 9.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.763 0.825 . . . . 0.0 113.169 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -45.3 -35.81 3.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.442 2.297 . . . . 0.0 113.564 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -123.93 15.08 9.27 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.28 1.832 . . . . 0.0 113.477 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 t . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.253 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 34.8 t -86.85 126.41 34.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 112.869 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.54 -23.24 64.43 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.8 -76.84 0.22 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.777 1.171 . . . . 0.0 111.638 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 2.5 p -91.84 -4.1 55.25 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm 70.2 5.53 5.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 114.747 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.77 148.68 19.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.096 1.316 . . . . 0.0 110.652 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.83 120.71 40.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.678 1.191 . . . . 0.0 110.274 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 137.17 -14.7 3.75 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.61 1.576 . . . . 0.0 115.272 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -150.25 172.49 15.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.413 1.485 . . . . 0.0 111.886 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -112.09 163.65 14.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.005 1.722 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.85 -38.52 35.5 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.03 -18.4 9.41 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.48 1.512 . . . . 0.0 114.266 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -125.91 12.93 7.88 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.642 1.977 . . . . 0.0 113.187 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 43.2 t -54.3 122.25 36.1 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.063 0.945 . . . . 0.0 113.536 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo . . . . . 0 C--N 1.355 0.901 0 C-N-CA 123.125 2.55 . . . . 0.0 112.775 -179.528 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.324 0.106 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.0 p -125.78 14.39 8.04 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.074 1.35 . . . . 0.0 113.83 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.3 t 56.34 20.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 126.976 2.11 . . . . 0.0 114.696 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -143.9 140.16 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.874 1.67 . . . . 0.0 109.667 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -147.84 163.69 35.98 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.556 1.542 . . . . 0.0 111.988 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.65 -166.31 35.4 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.789 1.185 . . . . 0.0 112.534 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -149.3 170.86 17.55 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.087 0.944 . . . . 0.0 113.211 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -142.9 148.34 36.79 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.46 2.704 . . . . 0.0 107.458 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -62.31 -6.99 3.64 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 52.8 17.2 0.8 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.797 2.039 . . . . 0.0 114.373 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.0 mmm-85 52.19 18.2 0.84 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 128.991 2.916 . . . . 0.0 114.809 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -51.95 -35.14 45.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.522 1.929 . . . . 0.0 112.8 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.94 38.16 1.98 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 126.182 1.849 . . . . 0.0 111.783 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.44 31.43 0.53 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.73 151.32 50.03 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.329 1.565 . . . . 0.0 112.518 176.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.46 -173.64 3.66 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.309 2.244 . . . . 0.0 113.77 -174.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -140.0 137.18 34.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.891 2.077 . . . . 0.0 109.518 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -147.52 144.76 28.76 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.971 1.708 . . . . 0.0 109.772 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.3 m -65.3 167.09 8.89 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.718 0.807 . . . . 0.0 112.796 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -50.82 120.62 4.96 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.505 1.122 . . . . 0.0 111.805 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.0 mt -146.66 166.73 25.68 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.925 1.69 . . . . 0.0 112.206 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -151.17 164.07 37.38 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.385 2.274 . . . . 0.0 107.737 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.75 13.44 0.37 Allowed 'General case' 0 N--CA 1.485 1.293 0 O-C-N 120.434 -1.416 . . . . 0.0 114.241 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -126.62 12.75 7.46 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.944 2.498 . . . . 0.0 111.398 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -125.84 155.0 41.84 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.108 1.363 . . . . 0.0 112.454 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.37 124.62 32.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.387 1.475 . . . . 0.0 113.614 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.02 -19.5 64.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -87.23 -38.67 16.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.77 -4.61 7.02 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 -177.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 73.02 1.72 4.13 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 127.981 2.513 . . . . 0.0 115.579 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.18 162.89 16.2 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.376 0.989 . . . . 0.0 112.151 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -110.48 144.42 39.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.465 1.506 . . . . 0.0 111.741 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.26 -7.81 32.71 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.536 1.541 . . . . 0.0 114.736 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -152.43 177.03 11.04 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.716 1.606 . . . . 0.0 111.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -119.62 167.7 11.75 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.605 1.962 . . . . 0.0 109.714 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.64 -36.38 24.41 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -55.26 -17.33 4.4 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.899 2.079 . . . . 0.0 114.549 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -132.35 14.38 4.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.937 2.095 . . . . 0.0 112.432 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t -57.28 125.72 71.92 Favored Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.14 -16.0 39.83 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.2 2.6 . . . . 0.0 113.229 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -69.45 -25.73 64.24 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.954 0.901 . . . . 0.0 111.816 176.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.49 152.02 91.78 Favored Pre-proline 0 N--CA 1.475 0.781 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.57 -6.08 18.37 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 124.072 3.182 . . . . 0.0 114.742 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.256 9.3 ptm180 45.65 32.99 1.3 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 127.99 2.516 . . . . 0.0 116.043 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.23 -177.68 43.38 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.752 1.644 . . . . 0.0 113.199 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -60.96 163.55 36.61 Favored 'Cis proline' 0 CA--C 1.544 1.003 0 C-N-CA 125.267 -0.722 . . . . 0.0 113.251 -28.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -155.1 166.65 32.93 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.736 1.615 . . . . 0.0 112.28 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.52 177.87 48.06 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.664 1.126 . . . . 0.0 113.743 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.22 164.12 36.82 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.022 3.148 . . . . 0.0 112.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -148.61 135.19 10.2 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 125.719 1.608 . . . . 0.0 110.344 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.24 -37.71 40.2 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.428 2.752 . . . . 0.0 114.613 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.02 -22.24 26.08 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.553 1.541 . . . . 0.0 114.31 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 47.2 p -128.1 4.18 5.86 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.586 1.555 . . . . 0.0 113.829 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.4 m -132.69 2.62 3.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.276 1.43 . . . . 0.0 114.776 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 125.57 1.548 . . . . 0.0 111.397 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 C4'-C3'-C2' 99.645 -3.055 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 C4'-C3'-C2' 99.623 -3.077 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 O4'-C1'-N19 111.652 3.452 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 O4'-C1'-N19 111.266 3.066 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 O4'-C1'-N19 111.229 3.029 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.349 0 C3'-C2'-C1' 104.322 3.136 OUTLIER-DELTA 0.26 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.375 1 O4'-C1'-N19 112.4 4.2 . 0.359 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C3'-C2'-C1' 104.048 2.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C5'-C4'-C3' 110.785 -3.143 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.593 1 O4'-C1'-N19 112.834 4.634 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 O4'-C1'-N19 112.329 4.129 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 O4'-C1'-N19 111.99 3.79 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.397 0 C5'-C4'-O4' 113.926 3.376 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 O4'-C1'-N19 112.036 3.836 . 0.35 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 O5'-C5'-C4' 115.003 3.431 . 0.173 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . 0.416 ' H22' ' CG1' ' C' ' 103' ' ' VAL . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 C5'-C4'-C3' 108.559 -4.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C3'-C2'-C1' 103.848 2.609 . 0.017 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.475 1 C3'-C2'-C1' 105.86 4.844 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.039 0 O4'-C1'-N19 111.086 2.886 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.444 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.388 2 O4'-C1'-N19 112.478 4.278 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . 0.413 " H2'" ' C8 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.108 2 C4'-C3'-C2' 97.319 -5.381 . 0.475 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.413 ' C8 ' " H2'" ' B' ' 22' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.54 2.278 1 O4'-C1'-N19 112.501 4.301 . 0.625 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.918 0 O4'-C1'-N19 110.87 2.67 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.821 2 O4'-C1'-N19 113.75 5.55 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.526 1 O4'-C1'-N19 112.497 4.297 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 111.568 3.368 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.291 3.091 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 C4'-C3'-C2' 99.575 -3.125 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 O4'-C4'-C3' 108.07 1.836 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C3'-C2'-C1' 104.842 3.714 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 O4'-C1'-N19 111.895 3.695 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 1 C3'-C2'-C1' 105.291 4.212 . 0.182 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . 0.411 " H2'" ' CE1' ' C' ' 128' ' ' TYR . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 P-O3'-C3' 124.467 3.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.406 " C5'" HO2' ' B' ' 34' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.534 1.839 0 O4'-C1'-N19 112.042 3.842 . 0.022 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.26 0 O4'-C1'-N19 112.135 3.935 . 0.081 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 N19-C1'-C2' 117.318 2.449 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.512 0 C4'-C3'-C2' 98.781 -3.919 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 O4'-C1'-N19 110.825 2.625 . 0.185 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C4'-C3'-C2' 100.033 -2.667 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 1 C4'-C3'-C2' 98.427 -4.273 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.233 0 C5'-C4'-O4' 113.02 2.729 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C4'-C3'-C2' 100.13 -2.57 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C4'-C3'-C2' 99.742 -2.958 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 C5'-C4'-O4' 113.721 3.229 . 0.376 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.444 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C4'-C3' 109.167 2.619 . 0.399 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.452 0 N19-C1'-C2' 117.097 2.31 . 0.083 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.379 0 O4'-C1'-N19 111.545 3.345 . 0.049 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 P-O3'-C3' 124.22 3.766 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 111.853 3.653 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.207 0 C4'-C3'-C2' 99.34 -3.36 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.217 0 C4'-C3'-C2' 99.964 -2.736 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.775 -2.925 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 1 O4'-C1'-N19 112.379 4.179 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C3'-C2'-C1' 104.299 3.11 . 0.163 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 4 O4'-C1'-N19 114.857 6.657 . 0.01 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C5'-C4'-O4' 113.3 2.929 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.885 1 O4'-C1'-N19 112.847 4.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.093 0 O5'-C5'-C4' 115.565 3.832 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.37 0 N19-C1'-C2' 117.321 2.451 . 0.041 2g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.181 0 O4'-C1'-N19 111.152 2.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 99.362 -3.338 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.978 0 O4'-C1'-N19 111.604 3.404 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.031 0 C5'-C4'-O4' 112.134 2.096 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 O4'-C1'-N19 110.865 2.665 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C5'-C4'-C3' 112.291 -2.139 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C4'-C3'-C2' 100.725 -1.975 . 0.025 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 0 C4'-C3'-C2' 98.9 -3.8 . 0.244 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C4'-C3'-C2' 99.304 -3.396 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 C4'-C3'-C2' 99.83 -2.87 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 111.64 3.44 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 O4'-C1'-N19 111.714 3.514 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.455 0.169 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 41.2 p -142.03 164.99 28.68 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.751 1.621 . . . . 0.0 111.642 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . 0.416 ' CG1' ' H22' ' B' ' 16' ' ' ' G' . 13.6 p -151.67 149.16 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.294 1.438 . . . . 0.0 110.544 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.88 149.5 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.161 1.784 . . . . 0.0 109.58 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 7.8 t -136.6 2.23 2.66 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -178.94 178.96 48.95 Favored Glycine 0 CA--C 1.533 1.211 0 O-C-N 120.576 -1.328 . . . . 0.0 114.492 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -137.97 -16.56 1.27 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.881 1.272 . . . . 0.0 113.746 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -140.45 156.24 46.43 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.769 1.627 . . . . 0.0 111.496 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.86 171.88 3.18 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.68 1.192 . . . . 0.0 113.785 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -146.99 167.05 24.97 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.16 1.784 . . . . 0.0 110.838 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -135.91 152.1 50.66 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.202 1.401 . . . . 0.0 112.161 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -131.67 19.03 4.69 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.115 1.766 . . . . 0.0 111.388 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.27 -178.54 48.39 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.933 1.73 . . . . 0.0 113.153 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . -176.64 -178.12 46.14 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.053 1.787 . . . . 0.0 112.118 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.97 156.16 44.82 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.365 1.066 . . . . 0.0 113.62 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -145.13 -14.58 0.52 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.797 1.639 . . . . 0.0 113.711 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -53.09 -28.32 24.6 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.011 1.724 . . . . 0.0 114.744 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -59.78 -12.2 6.8 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.425 1.49 . . . . 0.0 113.699 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 95.0 p 35.9 37.9 0.05 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.47 3.108 . . . . 0.0 117.161 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 50.53 40.3 23.14 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.191 1.396 . . . . 0.0 112.812 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.52 159.3 2.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.063 1.345 . . . . 0.0 113.669 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' C' ' 124' ' ' ASP . 39.9 t0 -129.78 133.25 46.87 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.244 1.818 . . . . 0.0 106.323 173.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -72.63 27.49 0.06 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.618 1.967 . . . . 0.0 114.406 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' C' ' 122' ' ' ASP . 11.8 m-20 -129.03 2.66 5.27 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 128.212 2.605 . . . . 0.0 112.441 173.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -127.02 123.56 37.34 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.21 1.368 . . . . 0.0 112.781 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.53 128.47 35.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.555 1.542 . . . . 0.0 114.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.02 -19.45 60.05 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 121.421 -0.799 . . . . 0.0 112.936 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' TYR . . . . . 0.411 ' CE1' " H2'" ' B' ' 34' ' ' ' A' . 22.3 t80 -79.81 -34.54 39.47 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -137.11 -4.37 1.92 Allowed 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 76.54 -3.05 2.6 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 127.727 2.411 . . . . 0.0 115.626 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.44 154.09 39.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.799 1.182 . . . . 0.0 112.674 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -102.92 141.34 35.89 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.103 1.361 . . . . 0.0 111.775 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.12 -7.03 21.42 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 126.279 1.895 . . . . 0.0 114.949 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -154.94 177.53 11.2 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.96 1.304 . . . . 0.0 112.898 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -115.09 165.46 12.88 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.321 2.248 . . . . 0.0 109.332 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.43 53.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.209 1.004 . . . . 0.0 112.913 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.83 -14.55 9.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.968 1.707 . . . . 0.0 114.411 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.25 12.61 5.56 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.189 2.196 . . . . 0.0 111.992 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.08 131.7 89.66 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 123.66 0.784 . . . . 0.0 111.334 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.75 -9.48 25.66 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.92 2.413 . . . . 0.0 113.163 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -88.36 -17.3 30.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.315 1.046 . . . . 0.0 113.478 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -68.41 145.81 97.5 Favored Pre-proline 0 N--CA 1.477 0.898 0 CA-C-N 119.057 0.844 . . . . 0.0 111.62 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.86 -14.02 26.65 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.264 2.643 . . . . 0.0 114.488 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -135.23 33.07 3.1 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.577 1.551 . . . . 0.0 113.442 -177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -168.28 162.75 36.54 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.588 1.089 . . . . 0.0 113.137 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.75 -14.78 5.26 Favored 'Cis proline' 0 CA--C 1.549 1.254 0 CA-C-N 118.673 1.237 . . . . 0.0 114.482 -27.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -141.04 38.49 1.77 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.615 1.566 . . . . 0.0 113.059 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 47.66 52.58 14.87 Favored Glycine 0 CA--C 1.546 2.031 0 C-N-CA 125.812 1.672 . . . . 0.0 116.65 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.62 171.86 16.34 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.996 3.131 . . . . 0.0 112.894 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -143.25 134.55 12.7 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 125.561 1.544 . . . . 0.0 110.864 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.7 171.54 17.06 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.387 2.725 . . . . 0.0 112.591 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -145.92 159.06 43.76 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.938 1.295 . . . . 0.0 112.299 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 7.8 t -158.48 178.37 10.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.675 1.59 . . . . 0.0 111.139 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 13.5 t -149.58 165.09 33.31 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.4 1.48 . . . . 0.0 112.125 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -139.5 7.36 2.35 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.417 1.887 . . . . 0.0 114.07 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 125.038 1.335 . . . . 0.0 111.085 -178.722 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.46 0.171 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 m 72.58 -26.44 0.18 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 127.496 2.318 . . . . 0.0 114.958 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -142.63 145.27 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.268 1.427 . . . . 0.0 110.712 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.1 t -136.44 20.81 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.049 1.34 . . . . 0.0 112.361 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -152.08 175.66 12.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.968 1.707 . . . . 0.0 111.833 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.29 -175.01 44.2 Favored Glycine 0 CA--C 1.534 1.279 0 O-C-N 121.405 -0.81 . . . . 0.0 114.728 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -143.49 144.06 31.83 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.987 1.315 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.07 -29.38 68.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.917 1.287 . . . . 0.0 113.857 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -79.46 -0.65 33.96 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.777 1.631 . . . . 0.0 113.999 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -124.55 25.53 7.54 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.347 1.459 . . . . 0.0 112.828 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -149.43 175.14 11.73 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.676 1.591 . . . . 0.0 113.29 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -130.59 9.27 5.04 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.182 1.793 . . . . 0.0 111.966 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.16 -168.67 34.65 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.29 1.424 . . . . 0.0 112.988 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.28 32.96 0.18 Allowed Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.577 1.56 . . . . 0.0 112.365 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -137.35 150.11 47.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.786 1.635 . . . . 0.0 112.113 -174.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -161.08 159.38 29.11 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.629 1.972 . . . . 0.0 109.743 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -134.44 165.88 24.16 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.251 1.42 . . . . 0.0 112.539 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 51.91 31.04 7.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.787 2.035 . . . . 0.0 115.008 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -55.3 -26.15 38.62 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -142.96 49.38 1.47 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.868 1.667 . . . . 0.0 109.646 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -142.2 132.62 25.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.196 0.998 . . . . 0.0 111.167 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -149.21 174.5 12.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.352 2.661 . . . . 0.0 108.383 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -10.83 11.29 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.39 12.38 31.64 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.688 1.595 . . . . 0.0 112.191 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -132.5 159.76 38.45 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.7 t -85.73 127.37 34.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.317 1.847 . . . . 0.0 112.413 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.84 66.93 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -83.75 -57.09 3.36 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 p -102.21 -7.5 22.11 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 70.05 10.02 7.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.04 172.23 10.44 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.949 0.9 . . . . 0.0 110.924 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -111.2 164.66 12.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 114.026 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.55 -1.6 88.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.627 1.584 . . . . 0.0 115.582 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -155.35 172.44 18.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.323 1.449 . . . . 0.0 111.956 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -113.25 166.18 11.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.597 1.959 . . . . 0.0 109.834 176.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.29 -32.95 18.33 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -52.92 -24.03 8.4 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.66 1.984 . . . . 0.0 114.255 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.49 16.0 7.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.584 1.953 . . . . 0.0 112.874 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.64 125.71 61.75 Favored Pre-proline 0 CA--C 1.555 1.165 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.73 -17.4 37.74 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 123.026 2.484 . . . . 0.0 113.492 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -70.57 -25.4 63.06 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.005 0.922 . . . . 0.0 111.681 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.52 147.51 94.84 Favored Pre-proline 0 N--CA 1.476 0.873 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -77.62 3.98 6.4 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 124.567 3.511 . . . . 0.0 115.258 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -138.79 160.38 39.82 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.631 1.572 . . . . 0.0 111.977 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.87 -42.09 37.36 Favored Glycine 0 CA--C 1.544 1.855 0 C-N-CA 126.064 1.792 . . . . 0.0 116.919 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -59.21 -23.58 2.48 Favored 'Cis proline' 0 CA--C 1.543 0.925 0 CA-C-N 119.928 1.864 . . . . 0.0 114.885 -28.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -64.92 157.6 27.59 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.35 1.06 . . . . 0.0 112.923 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.95 50.66 0.13 Allowed Glycine 0 CA--C 1.542 1.75 0 CA-C-O 118.313 -1.271 . . . . 0.0 115.154 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.47 169.56 22.02 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.411 2.74 . . . . 0.0 113.028 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -149.08 138.19 12.39 Favored Pre-proline 0 N--CA 1.476 0.848 0 C-N-CA 126.049 1.74 . . . . 0.0 110.492 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.2 168.39 23.48 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.709 2.273 . . . . 0.0 111.682 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -121.44 0.34 9.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.713 1.205 . . . . 0.0 113.492 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 p -130.43 -1.07 4.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.998 1.719 . . . . 0.0 113.726 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.6 m -139.51 22.55 2.53 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.515 1.526 . . . . 0.0 113.375 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 tt . . . . . 0 N--CA 1.475 0.777 0 C-N-CA 126.924 2.09 . . . . 0.0 113.104 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C5'-C4'-O4' 112.633 2.452 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.32 -3.38 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 111.643 3.443 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C4'-C3'-C2' 99.184 -3.516 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 O4'-C1'-N19 111.722 3.522 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.522 0 C3'-C2'-C1' 104.555 3.395 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 P-O3'-C3' 122.933 2.694 . 0.125 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C3'-C2'-C1' 104.955 3.839 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.359 2 C3'-C2'-C1' 106.679 5.755 . 0.216 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.361 2 P-O3'-C3' 125.26 4.633 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.463 3.263 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 1 O4'-C1'-N19 112.299 4.099 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.143 0 C4'-C3'-C2' 100.047 -2.653 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.05 -3.65 . 0.01 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 0 C5'-C4'-O4' 113.156 2.826 . 0.551 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.143 0 O4'-C1'-N19 111.792 3.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.818 0 O5'-C5'-C4' 115.387 3.705 . 0.021 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.571 1 C3'-C2'-C1' 106.323 5.359 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.953 0 N19-C1'-C2' 117.811 2.757 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.766 1 P-O3'-C3' 124.851 4.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C4'-C3'-C2' 98.741 -3.959 . 0.139 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 O4'-C1'-N19 111.032 2.832 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C5'-C4'-C3' 111.613 -2.591 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 2 O4'-C1'-N19 112.593 4.393 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.782 1 O4'-C1'-N19 113.007 4.807 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 O4'-C1'-N19 111.528 3.328 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 1 O4'-C1'-N19 112.253 4.053 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 112.052 3.852 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C5'-C4'-O4' 113.193 2.852 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C3'-C2'-C1' 104.033 2.815 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . 0.428 " H2'" ' C6 ' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.11 -3.59 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . 0.428 ' C6 ' " H2'" ' B' ' 32' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 O4'-C1'-N19 111.502 3.302 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.724 0 O5'-C5'-C4' 115.437 3.741 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 O4'-C1'-N19 111.534 3.334 . 0.074 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C5'-C4'-O4' 114.205 3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C3'-C2'-C1' 105.086 3.985 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 2 C4'-C3'-C2' 98.045 -4.655 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.419 " H2'" ' C6 ' ' B' ' 40' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.126 0 O4'-C1'-N19 111.439 3.239 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . 0.419 ' C6 ' " H2'" ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.44 3.24 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C4'-C3'-C2' 98.716 -3.984 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 99.679 -3.021 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C5'-C4'-O4' 113.294 2.924 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 99.112 -3.588 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.251 0 C5'-C4'-O4' 113.181 2.844 . 0.297 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 O4'-C1'-N19 111.674 3.474 . 0.159 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 N19-C1'-C2' 117.351 2.47 . 0.109 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.589 0 C3'-C2'-C1' 104.979 3.865 . 0.092 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.788 3.588 . 0.014 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 111.996 3.796 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 0 C4'-C3'-C2' 99.642 -3.058 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 C4'-C3'-C2' 99.817 -2.883 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 C4'-C3'-C2' 99.899 -2.801 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 O4'-C1'-N19 111.878 3.678 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C3'-C2'-C1' 104.266 3.073 . 0.088 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.517 3 O4'-C1'-N19 115.021 6.821 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C5'-C4'-O4' 113.323 2.945 . 0.258 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.679 1 O4'-C1'-N19 112.559 4.359 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.841 0 C5'-C4'-O4' 113.675 3.196 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.286 0 O4'-C1'-N19 112.116 3.916 OUTLIER-DELTA 0.01 5d . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.375 0 P-O3'-C3' 123.49 3.158 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 C4'-C3'-C2' 99.48 -3.22 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 O4'-C1'-N19 111.525 3.325 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.158 0 C4'-C3'-C2' 99.804 -2.896 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 0 O4'-C1'-N19 112.18 3.98 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.283 0 P-O3'-C3' 122.547 2.372 . 0.383 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 O4'-C4'-C3' 109.448 2.82 . 0.306 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.194 0 C5'-C4'-O4' 113.816 3.297 . 0.135 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.531 -3.169 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.248 -3.452 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 111.575 3.375 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.761 3.561 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.651 0.262 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 7.3 t -153.16 174.19 14.55 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.218 1.407 . . . . 0.0 111.445 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.66 120.58 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.851 1.26 . . . . 0.0 110.252 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.83 11.16 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.257 1.423 . . . . 0.0 113.554 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 24.3 m -154.34 165.64 35.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.181 1.792 . . . . 0.0 111.342 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -167.62 174.49 42.68 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.543 1.068 . . . . 0.0 113.661 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -66.21 149.85 49.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.789 1.236 . . . . 0.0 112.89 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -136.35 166.71 22.82 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.909 2.083 . . . . 0.0 109.574 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -139.24 139.69 37.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.822 1.649 . . . . 0.0 110.484 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.54 137.26 58.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.134 0.974 . . . . 0.0 111.064 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -60.58 163.31 5.52 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -142.85 -28.82 0.56 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.016 2.126 . . . . 0.0 111.506 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -176.6 170.02 42.67 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 127.346 2.403 . . . . 0.0 110.688 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.82 -176.32 43.68 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 118.223 1.011 . . . . 0.0 115.238 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -68.14 -3.38 10.26 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.911 1.684 . . . . 0.0 114.825 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -56.64 -25.19 52.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.905 1.682 . . . . 0.0 115.037 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -53.49 140.01 29.36 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.767 1.167 . . . . 0.0 112.885 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -136.24 153.59 51.16 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.825 2.05 . . . . 0.0 110.639 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 1.6 t 37.43 40.25 0.2 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.828 2.051 . . . . 0.0 115.707 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 51.53 30.79 6.75 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.606 1.962 . . . . 0.0 114.803 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.7 134.76 57.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.092 1.757 . . . . 0.0 109.354 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -131.59 143.43 50.34 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.599 1.16 . . . . 0.0 110.414 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.34 5.96 0.66 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.409 1.884 . . . . 0.0 114.701 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -107.65 -7.68 16.36 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.038 1.735 . . . . 0.0 112.774 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -90.2 170.24 10.46 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.024 1.33 . . . . 0.0 111.992 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 14.0 t -105.31 129.56 53.63 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.305 1.842 . . . . 0.0 109.844 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.77 74.37 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.49 -36.04 29.73 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.48 -6.34 7.0 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.25 32.0 mmtp 73.47 3.92 4.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.943 2.097 . . . . 0.0 115.534 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.0 177.96 2.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.401 1.08 . . . . 0.0 110.68 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -130.96 161.05 32.76 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.315 1.046 . . . . 0.0 113.589 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.68 -4.66 59.7 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.582 1.563 . . . . 0.0 113.56 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -154.72 168.59 26.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.107 2.163 . . . . 0.0 110.43 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -109.17 166.86 10.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.489 1.516 . . . . 0.0 110.355 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.65 23.32 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.22 -20.92 12.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.36 2.264 . . . . 0.0 113.537 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.27 16.68 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.998 2.119 . . . . 0.0 113.026 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.2 122.11 28.27 Favored Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -72.17 -14.15 28.65 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.923 2.416 . . . . 0.0 113.406 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -72.12 -21.05 61.53 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.933 0.893 . . . . 0.0 111.48 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -72.56 143.44 85.09 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.332 0.653 . . . . 0.0 111.825 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -74.24 168.31 25.1 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.333 2.688 . . . . 0.0 112.641 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -147.87 148.11 30.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.492 1.517 . . . . 0.0 110.742 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 157.61 -37.48 0.54 Allowed Glycine 0 CA--C 1.543 1.817 0 CA-C-O 117.359 -1.801 . . . . 0.0 115.821 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -47.82 154.5 4.78 Favored 'Cis proline' 0 C--N 1.355 0.904 0 CA-C-N 120.132 1.966 . . . . 0.0 113.638 -28.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -159.33 155.41 26.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.15 1.38 . . . . 0.0 111.605 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.01 49.12 0.05 OUTLIER Glycine 0 CA--C 1.542 1.763 0 N-CA-C 116.534 1.374 . . . . 0.0 116.534 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.43 156.02 59.0 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.188 2.592 . . . . 0.0 111.956 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -150.19 70.19 9.13 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 125.021 1.328 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.62 -10.67 17.16 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.983 3.122 . . . . 0.0 114.151 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -146.44 146.2 30.5 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.916 1.686 . . . . 0.0 110.283 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 9.4 t -156.35 176.04 13.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.42 1.488 . . . . 0.0 111.227 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 19.1 t -150.78 150.04 30.5 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.525 1.53 . . . . 0.0 111.439 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 10.1 tt -151.2 142.53 23.36 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.731 1.612 . . . . 0.0 110.405 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.245 1.418 . . . . 0.0 111.308 179.511 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.58 0.229 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.5 p -138.65 166.6 23.94 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.747 1.619 . . . . 0.0 111.36 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -152.88 150.04 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.88 1.272 . . . . 0.0 110.769 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -151.57 152.29 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.677 1.591 . . . . 0.0 110.42 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -70.25 163.88 25.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.848 1.259 . . . . 0.0 113.544 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.13 -179.66 47.9 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.243 0.925 . . . . 0.0 114.235 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -150.83 161.91 41.76 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.697 1.999 . . . . 0.0 109.689 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -58.31 163.45 3.0 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -137.67 177.18 8.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.058 2.143 . . . . 0.0 109.538 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -135.58 159.66 40.91 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.215 1.406 . . . . 0.0 110.522 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -148.28 170.91 16.86 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.285 1.216 . . . . 0.0 114.285 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -148.55 145.28 27.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.545 1.938 . . . . 0.0 109.483 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.56 174.92 47.06 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.033 0.825 . . . . 0.0 113.468 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.75 -175.62 39.92 Favored Glycine 0 CA--C 1.532 1.142 0 O-C-N 121.634 -0.921 . . . . 0.0 114.972 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -107.88 -1.93 20.31 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.762 1.625 . . . . 0.0 112.397 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -137.0 23.04 3.05 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 127.227 2.211 . . . . 0.0 111.561 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -137.87 158.07 45.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.738 2.415 . . . . 0.0 110.132 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -54.04 -25.83 23.45 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.526 1.53 . . . . 0.0 114.693 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 40.23 42.16 1.14 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.522 2.329 . . . . 0.0 115.108 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 51.25 34.58 11.72 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.984 1.714 . . . . 0.0 114.207 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.0 mt 44.6 61.71 2.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.164 2.186 . . . . 0.0 114.191 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -57.63 131.14 49.33 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 113.941 -1.481 . . . . 0.0 109.485 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -67.6 -5.98 18.08 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.974 -1.078 . . . . 0.0 113.196 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -96.19 5.55 50.8 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.479 1.511 . . . . 0.0 112.103 172.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -129.63 155.3 46.06 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.847 1.259 . . . . 0.0 113.639 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.8 t -77.16 131.23 38.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.652 1.581 . . . . 0.0 113.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.3 -8.48 56.39 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -106.91 -25.91 11.44 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.551 1.685 . . . . 0.0 115.551 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.01 -3.34 2.5 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 69.72 2.6 3.89 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.144 2.178 . . . . 0.0 115.189 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.76 154.55 29.29 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.672 1.124 . . . . 0.0 111.644 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -87.81 160.48 18.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.521 1.528 . . . . 0.0 113.504 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.73 0.75 56.41 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.136 1.614 . . . . 0.0 117.136 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -148.07 171.56 15.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.257 1.529 . . . . 0.0 112.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -120.79 163.48 18.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.261 1.824 . . . . 0.0 111.328 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.53 -37.86 18.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.773 1.229 . . . . 0.0 112.547 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -52.63 -22.25 4.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.649 1.98 . . . . 0.0 114.417 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -129.03 12.76 6.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.7 2.0 . . . . 0.0 113.29 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.5 t -60.61 134.75 91.89 Favored Pre-proline 0 CA--C 1.552 1.034 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.12 -17.51 45.55 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 123.011 2.474 . . . . 0.0 113.377 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.53 -23.08 63.54 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.943 0.792 . . . . 0.0 112.53 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -83.71 155.68 65.11 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 124.399 1.08 . . . . 0.0 113.046 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.7 -14.35 39.09 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.557 2.838 . . . . 0.0 114.064 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -59.49 152.32 22.04 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.789 1.636 . . . . 0.0 111.252 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.81 -40.17 0.02 OUTLIER Glycine 0 CA--C 1.539 1.544 0 CA-C-O 117.485 -1.73 . . . . 0.0 115.812 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -60.87 -1.31 0.85 Allowed 'Cis proline' 0 CA--C 1.546 1.081 0 CA-C-N 120.273 2.037 . . . . 0.0 116.057 -28.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 57.92 29.78 18.13 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.891 1.676 . . . . 0.0 113.443 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.56 56.09 0.04 OUTLIER Glycine 0 CA--C 1.541 1.674 0 C-N-CA 126.973 2.225 . . . . 0.0 112.726 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -69.78 165.54 30.67 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.312 2.675 . . . . 0.0 113.407 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -140.0 83.82 15.72 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.949 1.699 . . . . 0.0 110.265 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.87 160.64 48.74 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.308 2.672 . . . . 0.0 112.511 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -152.69 168.4 25.78 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.435 1.494 . . . . 0.0 112.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -152.93 168.06 27.08 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.185 1.394 . . . . 0.0 111.432 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 t -155.4 161.98 40.89 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.513 1.525 . . . . 0.0 111.589 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 125.703 1.601 . . . . 0.0 110.557 179.744 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.191 0 C4'-C3'-C2' 99.778 -2.922 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C4'-C3'-C2' 99.647 -3.053 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C4'-C3'-C2' 99.26 -3.44 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 O4'-C1'-N19 111.833 3.633 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.801 3.601 OUTLIER-EPSILON 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 4.114 3 P-O3'-C3' 138.633 15.778 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 2 O4'-C1'-N19 112.286 4.086 . 0.163 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 C1'-O4'-C4' 106.107 -3.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 2.518 1 C4'-C3'-C2' 97.39 -5.31 . 0.01 5j . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.735 0 P-O3'-C3' 124.024 3.603 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.975 1 O4'-C1'-N19 112.627 4.427 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.36 1 O4'-C1'-N19 113.412 5.212 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.421 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 C5'-C4'-O4' 114.125 3.518 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.421 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.33 3.13 . 0.374 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C5'-C4'-O4' 112.957 2.684 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.19 0 O4'-C1'-N19 111.304 3.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C3'-C2'-C1' 103.914 2.683 . 0.203 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.647 1 C3'-C2'-C1' 105.946 4.94 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.946 0 N19-C1'-C2' 118.187 2.992 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.493 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.285 0 C5'-C4'-O4' 114.342 3.673 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . 0.415 " H2'" ' C8 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.436 1 C4'-C3'-C2' 98.543 -4.157 . 0.791 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . 0.415 ' C8 ' " H2'" ' B' ' 22' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 P-O3'-C3' 122.542 2.369 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 C3'-C2'-C1' 104.024 2.805 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 2 O4'-C1'-N19 113.579 5.379 . 0.73 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 2 C5'-C4'-O4' 115.67 4.622 . 0.273 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C5'-C4'-O4' 113.147 2.819 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 99.788 -2.912 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O4'-C1'-N19 111.053 2.853 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C3'-C2'-C1' 103.346 2.051 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 1 C3'-C2'-C1' 105.444 4.383 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 112.043 3.843 . 0.099 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.541 1 C3'-C2'-C1' 106.102 5.113 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 O5'-C5'-C4' 115.164 3.546 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 2 C4'-C3'-C2' 96.999 -5.701 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . 0.534 " H4'" HH12 ' C' ' 118' ' ' ARG . . . . . . . . 0 O3'--C3' 1.461 2.73 1 P-O5'-C5' 128.892 4.995 OUTLIER-DELTA 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C5'-C4'-C3' 110.594 -3.271 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 4 C4'-C3'-C2' 96.559 -6.141 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.263 -3.437 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.635 3.435 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C4'-C3'-C2' 99.715 -2.985 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 C5'-C4'-O4' 113.146 2.819 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 C4'-C3'-C2' 99.605 -3.095 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 1 C4'-C3'-C2' 98.697 -4.003 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.8 0 O4'-C1'-N19 111.628 3.428 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.493 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.389 1 C4'-C3'-O3' 121.173 4.067 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.308 1 P-O3'-C3' 126.833 5.944 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C3'-C2'-C1' 104.284 3.094 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.064 0 O4'-C1'-N19 111.786 3.586 . 0.126 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 2 C4'-C3'-C2' 98.529 -4.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 99.721 -2.979 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.147 0 C4'-C3'-C2' 99.817 -2.883 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 C5'-C4'-O4' 112.836 2.597 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 111.811 3.611 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.341 -3.359 . 0.353 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 2 P-O3'-C3' 126.111 5.342 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C5'-C4'-O4' 112.965 2.689 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.773 1 O4'-C1'-N19 114.958 6.758 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.371 0 C5'-C4'-O4' 112.629 2.449 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.132 1 P-O3'-C3' 125.026 4.439 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 0 P-O3'-C3' 124.266 3.805 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.077 0 C4'-C3'-C2' 99.578 -3.122 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 O4'-C1'-N19 111.728 3.528 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 99.859 -2.841 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 99.558 -3.142 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.541 0 O4'-C4'-C3' 108.363 2.045 . 0.01 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 C4'-C3'-C2' 100.85 -1.85 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 99.689 -3.011 . 0.439 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 C4'-C3'-C2' 99.38 -3.32 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 99.482 -3.218 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.614 3.414 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 O4'-C1'-N19 111.785 3.585 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.387 0.137 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 5.1 t -136.66 -2.23 2.19 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 15.1 m -142.86 165.17 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 126.767 2.027 . . . . 0.0 110.824 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.08 163.11 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.7 1.6 . . . . 0.0 111.654 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 56.3 m -140.51 164.99 28.66 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.438 1.495 . . . . 0.0 112.076 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -173.94 178.43 45.82 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.836 1.207 . . . . 0.0 113.139 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -128.69 14.03 6.44 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.953 1.301 . . . . 0.0 113.848 -177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 55.13 20.31 3.27 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 126.5 1.92 . . . . 0.0 115.638 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.69 138.76 58.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.758 1.223 . . . . 0.0 111.776 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -147.94 -0.01 0.62 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -65.9 117.96 9.03 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.73 -1.231 . . . . 0.0 112.632 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -157.23 142.61 17.27 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.753 1.621 . . . . 0.0 109.865 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.95 173.49 33.64 Favored Glycine 0 CA--C 1.535 1.341 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.78 168.43 37.37 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.049 1.785 . . . . 0.0 112.326 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.46 7.35 3.31 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 20.3 tpt85 -64.44 133.06 51.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.51 1.124 . . . . 0.0 112.108 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -139.09 173.59 11.4 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.559 2.344 . . . . 0.0 109.964 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' ARG . . . . . 0.534 HH12 " H4'" ' B' ' 36' ' ' ' G' . 78.1 ttt180 -144.26 105.1 4.18 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.696 1.198 . . . . 0.0 112.977 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 16.4 m -51.97 -24.58 6.72 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.744 1.618 . . . . 0.0 114.891 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -76.08 3.93 9.49 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -133.84 149.36 51.37 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -155.85 139.9 16.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 130.991 3.716 . . . . 0.0 104.499 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -57.6 -14.98 6.15 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -109.8 18.09 20.53 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.926 1.29 . . . . 0.0 113.62 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -123.56 152.52 41.76 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.487 1.515 . . . . 0.0 113.892 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 43.0 t -74.93 130.96 40.29 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.354 -1.467 . . . . 0.0 112.19 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.76 -17.8 61.6 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -106.67 -70.54 0.79 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -82.72 -9.34 59.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.257 1.39 . . . . 0.0 114.56 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mttp 70.99 7.95 6.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.583 2.353 . . . . 0.0 115.359 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.33 166.43 16.58 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.284 0.947 . . . . 0.0 111.094 172.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -108.12 159.39 16.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 93.15 -3.79 73.46 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.604 1.573 . . . . 0.0 115.283 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -154.0 170.17 21.73 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.221 1.408 . . . . 0.0 112.077 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -109.59 163.41 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.516 1.926 . . . . 0.0 109.962 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.66 -35.39 60.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.18 -8.0 7.11 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.919 1.288 . . . . 0.0 114.055 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.71 10.81 5.16 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.711 2.404 . . . . 0.0 111.931 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.5 t -59.27 129.51 86.6 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 124.755 1.222 . . . . 0.0 113.447 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.2 -10.07 27.77 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 123.378 2.718 . . . . 0.0 113.391 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -121.08 18.16 11.65 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.861 1.264 . . . . 0.0 114.318 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -110.95 91.74 13.47 Favored Pre-proline 0 N--CA 1.482 1.132 0 C-N-CA 123.941 0.897 . . . . 0.0 111.598 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.03 176.05 10.44 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.186 2.59 . . . . 0.0 111.913 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -130.09 135.76 48.58 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.435 1.494 . . . . 0.0 110.349 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 155.87 -39.4 0.6 Allowed Glycine 0 CA--C 1.544 1.851 0 CA-C-O 117.579 -1.678 . . . . 0.0 114.442 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -55.65 167.38 9.36 Favored 'Cis proline' 0 C--N 1.356 0.925 0 CA-C-N 119.588 1.694 . . . . 0.0 113.713 -29.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 41.5 mtp-105 -129.31 27.6 5.32 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.413 1.485 . . . . 0.0 113.095 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 167.34 50.5 0.03 OUTLIER Glycine 0 CA--C 1.54 1.607 0 C-N-CA 125.86 1.695 . . . . 0.0 115.145 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.11 155.43 64.78 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.997 2.464 . . . . 0.0 110.671 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -133.99 69.73 74.73 Favored Pre-proline 0 N--CA 1.48 1.058 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.56 -27.14 81.53 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 123.188 2.592 . . . . 0.0 113.789 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -142.5 170.2 16.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.263 2.225 . . . . 0.0 110.521 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 9.7 t -150.69 167.32 27.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.992 1.317 . . . . 0.0 111.646 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 97.4 p -154.84 173.49 16.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.641 1.576 . . . . 0.0 112.535 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 17.7 tp -132.36 18.36 4.41 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.401 1.48 . . . . 0.0 112.638 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 124.921 1.288 . . . . 0.0 112.223 179.578 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.227 0.061 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.5 m -140.88 144.57 35.34 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.167 1.387 . . . . 0.0 110.595 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -150.23 154.8 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.554 1.542 . . . . 0.0 110.724 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -139.32 161.36 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.721 1.609 . . . . 0.0 111.555 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -153.21 171.84 17.88 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.334 1.454 . . . . 0.0 112.342 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.6 177.65 47.36 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.645 1.117 . . . . 0.0 113.516 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -149.04 161.24 42.34 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.519 1.528 . . . . 0.0 110.756 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 172.07 13.96 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.592 1.557 . . . . 0.0 112.717 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 57.22 27.48 13.65 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.193 1.797 . . . . 0.0 113.945 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.94 124.03 20.51 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.991 1.317 . . . . 0.0 111.596 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -65.79 123.04 18.69 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.546 1.138 . . . . 0.0 109.899 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -138.86 172.68 12.5 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.16 1.784 . . . . 0.0 112.037 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.29 177.94 40.46 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.108 1.337 . . . . 0.0 113.314 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.21 3.13 44.85 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.87 1.224 . . . . 0.0 114.817 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.37 4.55 0.71 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.829 2.051 . . . . 0.0 115.526 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -142.37 37.97 1.54 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.064 1.746 . . . . 0.0 111.952 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -137.01 -178.27 5.12 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 127.004 2.121 . . . . 0.0 112.273 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 mmt-85 62.18 4.67 1.29 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 128.114 2.566 . . . . 0.0 117.445 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.3 p -59.43 -12.92 6.88 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -133.1 42.08 3.07 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.859 2.064 . . . . 0.0 111.48 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -53.49 150.41 6.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.094 1.358 . . . . 0.0 114.134 -178.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -94.2 163.04 13.61 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.611 1.164 . . . . 0.0 113.415 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -64.94 -2.04 2.39 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.018 1.727 . . . . 0.0 114.655 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -109.88 6.55 23.42 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.568 1.947 . . . . 0.0 112.558 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -127.13 163.36 23.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.013 1.325 . . . . 0.0 111.929 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.74 143.59 26.38 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.525 1.13 . . . . 0.0 113.222 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.0 -1.71 48.4 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.97 1.308 . . . . 0.0 113.486 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -110.0 -28.72 8.57 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -132.34 -4.05 3.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 176.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 71.96 5.4 5.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.463 2.305 . . . . 0.0 115.69 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.19 -179.3 1.53 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.647 1.179 . . . . 0.0 112.814 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.65 160.2 23.76 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.247 1.419 . . . . 0.0 113.036 -178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.33 -2.5 87.77 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.345 1.45 . . . . 0.0 116.065 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -152.65 174.48 13.93 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.144 1.378 . . . . 0.0 111.659 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -120.34 168.45 11.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.514 1.925 . . . . 0.0 110.712 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.41 -41.0 8.76 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.968 1.707 . . . . 0.0 112.792 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -52.89 -20.1 3.06 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.479 2.312 . . . . 0.0 114.681 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.25 13.23 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.241 2.216 . . . . 0.0 112.277 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -62.17 131.09 93.41 Favored Pre-proline 0 CA--C 1.553 1.087 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.45 -14.86 40.91 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 123.157 2.572 . . . . 0.0 113.095 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -66.6 -24.86 66.39 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.225 1.01 . . . . 0.0 111.744 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -73.39 148.33 88.18 Favored Pre-proline 0 N--CA 1.475 0.781 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.09 158.7 6.42 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 124.165 3.243 . . . . 0.0 114.27 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.3 ptt85 -58.42 148.8 26.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.451 1.1 . . . . 0.0 113.01 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.09 -48.79 0.39 Allowed Glycine 0 CA--C 1.536 1.392 0 CA-C-O 118.478 -1.179 . . . . 0.0 113.831 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.98 -3.22 4.27 Favored 'Cis proline' 0 CA--C 1.547 1.127 0 N-CA-C 115.954 1.482 . . . . 0.0 115.954 -28.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -123.12 40.69 3.65 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.941 1.696 . . . . 0.0 112.321 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.98 -154.03 21.04 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 124.583 1.087 . . . . 0.0 112.443 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -66.46 166.89 20.24 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.333 2.689 . . . . 0.0 112.406 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -135.81 134.26 20.53 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.846 1.258 . . . . 0.0 111.941 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.51 174.72 12.1 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 123.607 2.872 . . . . 0.0 112.578 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -127.48 9.55 6.6 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.327 1.451 . . . . 0.0 113.672 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.0 p -143.48 165.8 26.56 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.941 2.096 . . . . 0.0 111.131 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.8 m -140.57 159.06 43.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.306 1.443 . . . . 0.0 111.82 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 125.359 1.464 . . . . 0.0 111.314 179.789 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C4'-C3'-C2' 99.657 -3.043 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 99.866 -2.834 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.921 0 C4'-C3'-C2' 98.818 -3.882 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.076 1 O4'-C1'-N19 112.684 4.484 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.387 0 O4'-C1'-N19 112.085 3.885 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.737 1 O4'-C1'-N19 112.807 4.607 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.155 1 O4'-C1'-N19 113.516 5.316 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 1 C1'-O4'-C4' 105.562 -4.486 . 0.131 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 1 C4'-C3'-C2' 98.615 -4.085 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.286 0 C5'-C4'-O4' 114.773 3.98 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 O4'-C1'-N19 112.092 3.892 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 1 O4'-C1'-N19 112.503 4.303 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.098 0 O4'-C1'-N19 111.11 2.91 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 2 O4'-C1'-N19 112.499 4.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C5'-C4'-O4' 114.107 3.505 OUTLIER-EPSILON 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . 0.517 ' H22' HO2' ' B' ' 61' ' ' ' C' . . . . . . . . 0 P--O3' 1.579 -2.364 1 P-O3'-C3' 137.604 14.92 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.556 -4.268 0 O4'-C4'-C3' 108.818 2.37 . 0.163 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.55 1 O4'-C1'-N19 112.619 4.419 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.35 2 O4'-C1'-N19 112.913 4.713 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.477 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.625 3.185 1 C5'-C4'-O4' 114.995 4.14 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 2 O4'-C1'-N19 112.647 4.447 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.083 0 O4'-C1'-N19 111.511 3.311 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.586 -3.114 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 2 C4'-C3'-C2' 97.269 -5.431 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 1 C5'-C4'-O4' 116.263 5.045 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 C4'-C3'-C2' 99.842 -2.858 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.452 -3.248 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 111.743 3.543 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 100.251 -2.449 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C3'-C2'-C1' 104.425 3.251 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 110.958 2.758 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C3'-C2'-C1' 104.683 3.536 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-O3' 120.003 3.616 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 1 P-O3'-C3' 126.146 5.372 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 O4'-C1'-N19 111.483 3.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.952 3.752 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.988 2 O4'-C1'-N19 115.821 7.621 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 C5'-C4'-O4' 114.594 3.853 . 0.158 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 O4'-C1'-N19 111.755 3.555 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C4'-C3'-C2' 99.491 -3.209 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 C5'-C4'-O4' 112.894 2.639 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 100.277 -2.423 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 98.9 -3.8 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.597 1 C3'-C2'-C1' 105.235 4.15 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . 0.477 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.545 1.949 2 O4'-C1'-N19 113.811 5.611 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 98.955 -3.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.415 0 P-O3'-C3' 124.402 3.918 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 P-O3'-C3' 123.724 3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.961 3.761 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 0 C4'-C3'-C2' 99.192 -3.508 . 0.593 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.188 0 C4'-C3'-C2' 99.23 -3.47 . 0.594 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C5'-C4'-O4' 114.083 3.488 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 O4'-C1'-N19 111.694 3.494 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.563 -3.137 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.148 2 O4'-C1'-N19 113.384 5.184 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 O4'-C1'-N19 111.254 3.054 . 0.537 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 O4'-C1'-N19 111.604 3.404 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.511 1 O4'-C1'-N19 114.527 6.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.844 0 C4'-C3'-O3' 118.187 2.918 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . 0.517 HO2' ' H22' ' B' ' 16' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.537 2.071 0 P-O3'-C3' 123.575 3.229 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 99.441 -3.259 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 O4'-C1'-N19 111.705 3.505 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 C4'-C3'-C2' 100.199 -2.501 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 O4'-C1'-N19 111.523 3.323 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 P-O3'-C3' 122.44 2.283 . 0.682 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 100.51 -2.19 . 0.104 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C4'-C3'-C2' 100.055 -2.645 . 0.696 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 99.495 -3.205 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 C4'-C3'-C2' 99.842 -2.858 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 99.433 -3.267 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 O4'-C1'-N19 111.629 3.429 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 23.1 p -140.71 157.15 45.84 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.575 1.55 . . . . 0.0 111.821 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 24.4 m -143.16 167.83 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 126.211 1.804 . . . . 0.0 111.402 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -63.39 159.99 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.34 1.056 . . . . 0.0 112.518 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -147.26 166.18 27.85 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.592 1.157 . . . . 0.0 112.27 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.8 -174.55 47.13 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.862 1.696 . . . . 0.0 112.721 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -138.63 154.06 48.64 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.094 1.358 . . . . 0.0 111.429 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -142.33 163.94 31.5 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.262 1.825 . . . . 0.0 111.396 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -67.14 153.78 42.83 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.298 1.039 . . . . 0.0 112.519 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -66.31 138.33 57.55 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.956 1.302 . . . . 0.0 112.591 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -136.13 16.88 3.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.491 1.917 . . . . 0.0 112.909 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -134.98 -33.82 0.91 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.747 1.219 . . . . 0.0 113.805 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.88 162.7 53.93 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.417 -0.802 . . . . 0.0 113.238 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.34 -164.75 35.73 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.361 0.981 . . . . 0.0 112.768 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -60.69 156.66 16.32 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.239 1.015 . . . . 0.0 113.642 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -118.16 20.53 13.15 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.477 1.911 . . . . 0.0 112.909 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -124.24 7.37 8.46 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 126.692 1.997 . . . . 0.0 113.969 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -67.18 161.67 24.21 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.257 1.023 . . . . 0.0 112.151 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 36.0 m -40.89 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.998 2.119 . . . . 0.0 114.378 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 47.29 38.3 6.99 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.81 2.044 . . . . 0.0 114.44 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 15.0 mt -139.44 164.28 30.28 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.626 1.679 . . . . 0.0 115.039 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -148.59 154.73 40.14 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 130.737 3.615 . . . . 0.0 105.693 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -0.01 1.42 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.084 -1.635 . . . . 0.0 115.18 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -126.02 18.53 7.8 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.781 2.033 . . . . 0.0 112.593 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -120.54 148.46 43.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.992 1.317 . . . . 0.0 112.186 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 42.9 t -82.52 131.43 35.21 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.277 1.431 . . . . 0.0 114.628 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.94 6.51 15.73 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -117.31 -33.71 4.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.268 1.427 . . . . 0.0 114.191 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.36 -3.13 3.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 76.48 -6.3 2.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.028 2.531 . . . . 0.0 115.134 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.88 164.14 10.74 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.963 1.256 . . . . 0.0 112.479 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -115.63 157.19 24.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.66 1.184 . . . . 0.0 113.243 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.92 -3.9 58.89 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.884 1.707 . . . . 0.0 113.875 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -155.6 173.56 16.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.76 1.624 . . . . 0.0 112.39 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -113.93 161.07 18.1 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.895 2.078 . . . . 0.0 110.229 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.27 -39.66 45.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.786 1.234 . . . . 0.0 113.778 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -54.55 -22.14 12.28 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.614 1.566 . . . . 0.0 113.93 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.56 14.55 6.53 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.895 2.078 . . . . 0.0 112.671 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.2 t -57.11 135.32 80.61 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.837 1.255 . . . . 0.0 113.807 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -55.09 -28.24 59.51 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.019 2.479 . . . . 0.0 113.386 174.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -89.17 -8.99 52.58 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.583 1.553 . . . . 0.0 113.389 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -125.72 66.67 57.31 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 125.876 1.67 . . . . 0.0 110.894 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -76.07 158.52 37.97 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.632 2.888 . . . . 0.0 112.52 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -143.68 29.36 1.39 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.157 1.383 . . . . 0.0 112.712 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -75.29 -38.92 37.82 Favored Glycine 0 CA--C 1.543 1.837 0 CA-C-O 117.385 -1.786 . . . . 0.0 115.584 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -51.36 165.06 5.11 Favored 'Cis proline' 0 CA--C 1.541 0.873 0 CA-C-N 120.112 1.956 . . . . 0.0 113.904 -29.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -155.81 158.46 38.14 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.061 1.345 . . . . 0.0 111.897 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 178.79 -177.53 48.48 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 124.799 1.19 . . . . 0.0 113.396 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.31 171.72 15.53 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 124.181 3.254 . . . . 0.0 113.041 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -140.39 132.71 14.52 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 125.61 1.564 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.74 146.55 54.44 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.761 2.307 . . . . 0.0 110.826 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -155.07 156.63 36.2 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.121 0.968 . . . . 0.0 111.562 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 6.9 t -150.64 173.84 13.67 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.118 1.367 . . . . 0.0 111.652 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 60.5 m -141.3 162.33 35.75 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.02 1.728 . . . . 0.0 112.207 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 52.4 tp -146.83 148.45 31.88 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.457 1.503 . . . . 0.0 110.836 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.42 1.488 . . . . 0.0 111.208 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.702 0.287 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -140.71 -176.69 4.75 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.431 1.892 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.25 -15.83 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 121.059 -1.026 . . . . 0.0 113.291 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 t -88.28 -21.92 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.769 1.628 . . . . 0.0 111.929 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 m -63.25 160.65 15.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.946 1.298 . . . . 0.0 113.754 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.38 -175.3 36.56 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.011 1.291 . . . . 0.0 113.363 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.93 157.19 31.35 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.442 1.097 . . . . 0.0 113.164 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 tptp 66.08 151.6 0.06 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 128.7 2.8 . . . . 0.0 114.582 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -153.16 172.14 17.4 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.788 2.035 . . . . 0.0 110.997 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -148.45 154.92 40.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.272 1.429 . . . . 0.0 111.594 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -147.36 135.81 21.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.76 1.624 . . . . 0.0 110.422 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.54 164.04 31.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.576 1.55 . . . . 0.0 111.566 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.64 -174.59 47.13 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.472 1.034 . . . . 0.0 114.153 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.11 171.57 43.52 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.214 1.388 . . . . 0.0 113.213 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -154.61 150.73 28.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.783 1.233 . . . . 0.0 112.57 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -134.11 0.5 3.15 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.26 167.14 14.96 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.438 1.095 . . . . 0.0 111.624 177.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -65.13 -5.5 6.83 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 m -55.53 -12.89 1.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 127.396 2.279 . . . . 0.0 114.972 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -129.27 104.15 7.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.017 1.727 . . . . 0.0 110.277 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.34 152.81 39.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.431 1.892 . . . . 0.0 108.452 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -155.18 159.69 40.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.195 1.798 . . . . 0.0 109.091 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -63.58 -10.06 16.53 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.55 -1.344 . . . . 0.0 114.207 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.55 18.56 15.85 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.076 1.751 . . . . 0.0 112.447 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -130.08 155.34 46.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.493 1.117 . . . . 0.0 113.4 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.06 134.1 35.32 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.442 1.497 . . . . 0.0 112.825 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.65 -27.74 66.27 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -87.38 -69.0 0.71 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 p -89.93 -6.88 55.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 72.52 4.62 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.293 2.237 . . . . 0.0 115.23 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -66.76 168.73 9.05 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.208 0.913 . . . . 0.0 112.086 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -108.65 163.49 13.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.39 1.476 . . . . 0.0 113.043 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.3 -3.57 85.87 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.313 1.435 . . . . 0.0 115.551 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -153.91 171.96 18.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.992 1.317 . . . . 0.0 112.194 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -116.54 163.54 15.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.86 2.064 . . . . 0.0 110.432 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.97 -35.41 15.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.129 1.372 . . . . 0.0 113.006 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.04 -22.94 2.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.241 1.817 . . . . 0.0 114.038 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -131.42 15.51 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.023 2.129 . . . . 0.0 113.324 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.8 t -56.95 129.93 78.78 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -70.53 -16.98 34.38 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.774 2.316 . . . . 0.0 113.153 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -73.33 -22.58 60.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.37 1.068 . . . . 0.0 111.776 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -68.84 151.97 96.99 Favored Pre-proline 0 N--CA 1.476 0.863 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -74.97 3.63 5.43 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 C-N-CA 124.252 3.302 . . . . 0.0 113.603 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -49.19 146.38 3.67 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.056 2.142 . . . . 0.0 113.353 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.24 -35.07 0.2 Allowed Glycine 0 CA--C 1.541 1.702 0 CA-C-O 117.21 -1.883 . . . . 0.0 116.191 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -57.97 -11.12 1.13 Allowed 'Cis proline' 0 CA--C 1.544 0.997 0 CA-C-N 120.614 2.207 . . . . 0.0 116.034 -27.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -146.69 165.56 29.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.144 1.378 . . . . 0.0 111.422 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.98 63.7 0.3 Allowed Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.646 1.117 . . . . 0.0 113.411 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.42 165.24 29.67 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.54 2.827 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.55 145.08 51.9 Favored Pre-proline 0 N--CA 1.479 1.018 0 C-N-CA 125.313 1.445 . . . . 0.0 111.379 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.74 111.42 3.13 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.657 2.904 . . . . 0.0 112.56 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -55.14 -19.46 7.73 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.852 1.661 . . . . 0.0 115.28 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -116.28 11.97 15.24 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.817 1.247 . . . . 0.0 112.841 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -142.4 -3.5 1.04 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 126.132 1.773 . . . . 0.0 110.441 178.638 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.115 0 C4'-C3'-C2' 99.501 -3.199 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 O4'-C1'-N19 111.346 3.146 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 111.777 3.577 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 O4'-C1'-N19 111.693 3.493 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 O4'-C1'-N19 111.694 3.494 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C3'-C2'-C1' 104.688 3.542 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.205 1 O4'-C1'-N19 113.165 4.965 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.663 0 C3'-C2'-C1' 104.471 3.301 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C4'-C3'-C2' 98.836 -3.864 . 0.094 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.789 0 O5'-C5'-C4' 114.617 3.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.768 3.568 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 O4'-C1'-N19 112.543 4.343 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C4'-C3'-C2' 99.028 -3.672 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 C4'-C3'-C2' 99.124 -3.576 . 0.109 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C5'-C4'-O4' 113.622 3.159 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.554 3.38 3 P-O3'-C3' 127.872 6.81 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.555 -4.338 2 P-O3'-C3' 138.804 15.92 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.96 1 P-O3'-C3' 124.584 4.07 . 0.159 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.039 0 O5'-C5'-C4' 115.713 3.938 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.574 0 P-O3'-C3' 123.534 3.195 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.113 1 C4'-C3'-C2' 98.568 -4.132 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 O4'-C1'-N19 111.209 3.009 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C5'-C4'-C3' 111.66 -2.56 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 2 C4'-C3'-C2' 97.761 -4.939 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.695 1 O4'-C1'-N19 112.456 4.256 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . 0.406 ' P ' HH22 ' C' ' 118' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 O4'-C1'-N19 111.281 3.081 . 0.902 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 1 O4'-C1'-N19 112.777 4.577 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 1 O4'-C1'-N19 113.262 5.062 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C5'-C4'-O4' 112.808 2.577 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 110.741 2.541 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.432 4.232 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.323 1 O4'-C1'-N19 112.794 4.594 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . 0.442 HO2' " C5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.515 0 P-O3'-C3' 123.193 2.91 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.442 " C5'" HO2' ' B' ' 34' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.601 1 C4'-C3'-O3' 122.597 4.614 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.969 1 P-O3'-C3' 126.479 5.649 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C5'-C4'-O4' 113.164 2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.483 -3.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.914 -3.786 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.226 0 O4'-C1'-N19 112.045 3.845 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C4'-C3'-C2' 99.359 -3.341 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 O4'-C1'-N19 112.071 3.871 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C4'-C3'-C2' 98.718 -3.982 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-N19 110.749 2.549 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C5'-C4'-O4' 112.716 2.512 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C3'-C2'-C1' 104.407 3.23 . 0.456 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 0 N19-C1'-C2' 117.573 2.608 . 0.389 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.568 3.368 . 0.279 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.486 0 O4'-C1'-N19 112.127 3.927 . 0.197 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.085 0 O4'-C1'-N19 111.904 3.704 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 0 C4'-C3'-C2' 99.789 -2.911 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.265 0 C4'-C3'-C2' 99.822 -2.878 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 C4'-C3'-C2' 99.915 -2.785 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 112.044 3.844 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C3'-C2'-C1' 104.391 3.212 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 3 O4'-C1'-N19 114.638 6.438 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C5'-C4'-C3' 111.212 -2.859 . 0.566 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.77 1 O4'-C1'-N19 112.909 4.709 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.426 2 O4'-C1'-N19 115.747 7.547 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 1 O4'-C1'-N19 112.203 4.003 . 0.01 5d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.892 3 C5'-C4'-C3' 107.943 -5.038 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C4'-C3'-C2' 99.173 -3.527 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 O4'-C1'-N19 112.049 3.849 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.018 1 O4'-C1'-N19 112.28 4.08 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C5'-C4'-O4' 112.911 2.65 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.554 -4.42 1 P-O3'-C3' 132.846 10.955 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 O3'-P-O5' 97.77 -3.279 . 0.044 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 C4'-C3'-C2' 99.014 -3.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 C4'-C3'-C2' 99.23 -3.47 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C4'-C3'-C2' 99.486 -3.214 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.975 0 O4'-C1'-N19 111.938 3.738 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 111.68 3.48 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 119.918 -0.087 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 19.0 m 70.63 152.06 0.1 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 127.058 2.143 . . . . 0.0 113.251 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.67 144.69 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.471 1.509 . . . . 0.0 110.537 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 35.9 m -134.94 6.92 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 125.306 1.442 . . . . 0.0 113.665 -177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 73.6 p -134.44 13.16 3.8 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.911 1.684 . . . . 0.0 114.322 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.42 174.44 44.99 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.671 1.129 . . . . 0.0 113.803 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -153.39 160.68 42.69 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.098 1.759 . . . . 0.0 110.461 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -141.85 160.75 39.55 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.368 1.467 . . . . 0.0 112.846 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -145.7 -179.07 6.43 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.494 1.918 . . . . 0.0 110.733 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -137.39 147.07 45.18 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.672 1.989 . . . . 0.0 109.344 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 33.6 ttm-85 -148.26 -24.03 0.34 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 60.21 -57.45 0.07 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 129.483 3.113 . . . . 0.0 117.952 175.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.12 -170.82 30.82 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-N 120.537 1.517 . . . . 0.0 116.209 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.09 -171.4 44.26 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 126.667 2.08 . . . . 0.0 113.043 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -154.52 134.94 13.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.188 1.395 . . . . 0.0 111.402 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -135.62 -0.96 2.56 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 46.95 34.17 2.59 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 126.564 1.946 . . . . 0.0 113.71 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' ARG . . . . . 0.406 HH22 ' P ' ' B' ' 27' ' ' ' C' . 99.7 mtt180 41.96 30.35 0.17 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 129.547 3.139 . . . . 0.0 115.075 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 24.2 m 45.06 33.11 0.99 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.744 1.618 . . . . 0.0 114.09 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 55.46 28.83 12.22 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.146 2.178 . . . . 0.0 115.266 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.06 141.29 45.73 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.266 1.427 . . . . 0.0 109.086 174.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -134.79 159.57 40.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.452 1.501 . . . . 0.0 109.686 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -63.36 8.69 0.07 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 128.488 2.715 . . . . 0.0 115.427 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -123.18 -1.73 8.69 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.41 1.884 . . . . 0.0 113.933 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -107.49 140.26 40.74 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.755 -1.216 . . . . 0.0 111.094 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.28 121.27 18.16 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.046 -1.659 . . . . 0.0 111.403 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.4 -15.76 62.88 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.529 -0.732 . . . . 0.0 112.68 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.87 -36.7 12.1 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.28 -6.94 7.05 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.292 80.2 mttt 73.65 7.9 5.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.351 2.261 . . . . 0.0 115.664 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -70.24 175.38 4.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.585 0.754 . . . . 0.0 110.644 171.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 143.04 51.23 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.913 -1.117 . . . . 0.0 112.1 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 111.99 -2.63 27.12 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.446 1.974 . . . . 0.0 114.435 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -156.0 -179.67 8.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.982 1.313 . . . . 0.0 113.234 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -120.94 167.3 12.71 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.528 2.331 . . . . 0.0 109.945 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.72 -38.86 16.17 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.603 1.161 . . . . 0.0 113.007 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -52.57 -22.43 4.96 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.977 2.111 . . . . 0.0 114.524 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.97 8.41 5.22 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.562 1.945 . . . . 0.0 112.865 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 36.8 t -54.12 124.57 46.26 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.238 1.415 . . . . 0.0 113.505 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.28 -6.91 20.21 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.083 2.522 . . . . 0.0 113.034 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -110.37 7.51 22.93 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.661 1.984 . . . . 0.0 112.921 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -121.47 127.23 26.18 Favored Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 124.287 1.035 . . . . 0.0 110.587 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -76.04 -24.35 11.31 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.214 2.609 . . . . 0.0 115.718 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 47.08 40.24 9.36 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.874 1.67 . . . . 0.0 113.644 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -121.63 -43.79 0.41 Allowed Glycine 0 CA--C 1.541 1.702 0 C-N-CA 125.778 1.656 . . . . 0.0 115.374 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -62.61 -18.67 4.61 Favored 'Cis proline' 0 CA--C 1.542 0.88 0 CA-C-N 120.006 1.903 . . . . 0.0 115.344 -28.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 48.96 36.44 8.4 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.181 1.792 . . . . 0.0 114.203 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -172.93 59.18 0.15 Allowed Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.182 1.372 . . . . 0.0 114.24 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -74.77 48.62 1.98 Allowed 'Trans proline' 0 CA--C 1.552 1.38 0 C-N-CA 125.222 3.948 . . . . 0.0 113.36 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 35.7 mtp-105 -61.66 150.65 81.02 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.777 1.631 . . . . 0.0 112.717 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.03 159.46 52.89 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.321 2.68 . . . . 0.0 112.872 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -69.52 -15.81 63.31 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.303 1.441 . . . . 0.0 114.115 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 51.9 p -139.02 164.21 30.36 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.073 1.749 . . . . 0.0 111.862 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 13.7 t -152.22 173.87 14.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.11 1.364 . . . . 0.0 111.675 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 25.9 tp -130.53 -0.2 4.43 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.688 1.995 . . . . 0.0 112.475 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 125.439 1.495 . . . . 0.0 111.393 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.349 0.119 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.3 p -128.32 -4.26 5.5 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.104 1.361 . . . . 0.0 114.576 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 t 58.28 24.34 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 126.173 1.789 . . . . 0.0 113.714 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.95 171.0 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.172 1.789 . . . . 0.0 111.413 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -134.82 26.18 3.65 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.231 1.412 . . . . 0.0 112.378 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.52 -176.19 46.94 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.415 1.483 . . . . 0.0 112.821 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -117.47 6.33 12.57 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.191 1.396 . . . . 0.0 113.064 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -139.76 162.37 35.29 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.974 2.109 . . . . 0.0 110.518 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -131.35 10.41 4.85 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 54.81 25.28 6.47 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.981 1.713 . . . . 0.0 114.853 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -138.8 171.5 14.24 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.124 2.169 . . . . 0.0 110.729 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -134.92 173.82 11.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.881 1.672 . . . . 0.0 111.92 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.05 -178.29 34.9 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.44 1.019 . . . . 0.0 113.794 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.48 -26.81 0.27 Allowed Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.448 1.499 . . . . 0.0 113.334 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 51.47 28.04 4.23 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.111 2.164 . . . . 0.0 114.91 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -140.89 146.02 36.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.013 1.725 . . . . 0.0 112.027 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -130.94 7.17 4.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.756 2.423 . . . . 0.0 112.566 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -53.1 151.1 5.17 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.071 1.748 . . . . 0.0 112.748 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -149.54 -50.3 0.14 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -155.33 137.35 14.6 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.726 1.148 . . . . 0.0 112.928 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.66 -174.69 5.0 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.49 1.916 . . . . 0.0 111.243 176.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -146.87 166.93 25.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.668 1.987 . . . . 0.0 108.073 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -66.48 0.28 2.3 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 120.393 -1.442 . . . . 0.0 114.014 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -120.62 13.58 11.69 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.279 2.232 . . . . 0.0 112.244 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.21 149.97 42.92 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.889 1.276 . . . . 0.0 112.844 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -73.15 128.62 36.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.336 1.454 . . . . 0.0 112.008 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.82 -13.86 62.48 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -106.43 -33.99 7.55 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.93 -2.72 9.71 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 72.67 -5.99 1.73 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.722 2.409 . . . . 0.0 114.55 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.62 163.12 9.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.664 1.12 . . . . 0.0 112.398 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 156.73 19.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.104 1.361 . . . . 0.0 113.5 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.01 -4.41 65.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.334 1.445 . . . . 0.0 114.799 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.92 170.8 20.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.295 1.438 . . . . 0.0 111.994 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -113.23 163.48 14.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.487 1.915 . . . . 0.0 109.792 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.36 -34.28 15.6 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -53.94 -24.26 15.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.024 1.73 . . . . 0.0 114.147 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -125.56 16.01 8.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.602 1.961 . . . . 0.0 112.705 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t -55.64 125.55 61.24 Favored Pre-proline 0 CA--C 1.554 1.121 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.89 -30.51 77.55 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.746 2.964 . . . . 0.0 115.17 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -80.82 -13.61 58.8 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -82.36 153.1 68.44 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 123.803 0.841 . . . . 0.0 113.041 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -77.58 31.89 0.43 Allowed 'Trans proline' 0 CA--C 1.555 1.543 0 C-N-CA 124.953 3.769 . . . . 0.0 112.838 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 64.34 175.62 0.19 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 128.13 2.572 . . . . 0.0 113.576 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.83 -173.26 46.08 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.018 1.294 . . . . 0.0 113.244 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -89.15 -16.71 21.69 Favored 'Cis proline' 0 CA--C 1.541 0.853 0 CA-C-N 118.323 1.062 . . . . 0.0 113.848 28.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -139.58 174.51 10.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.513 1.925 . . . . 0.0 111.107 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.6 -68.65 0.01 OUTLIER Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.006 1.289 . . . . 0.0 112.291 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.69 163.21 39.06 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.937 2.425 . . . . 0.0 111.079 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -137.03 148.35 62.44 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 124.551 1.14 . . . . 0.0 112.538 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.21 138.73 36.64 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.909 3.073 . . . . 0.0 113.199 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -84.27 -1.17 54.81 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.157 0.983 . . . . 0.0 113.328 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.0 m -141.28 153.59 45.27 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.232 2.213 . . . . 0.0 108.82 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 m -60.53 -2.3 0.49 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.96 2.207 . . . . 0.0 116.96 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 125.609 1.564 . . . . 0.0 112.275 179.12 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C4'-C3'-C2' 99.695 -3.005 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 99.85 -2.85 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 O4'-C1'-N19 111.724 3.524 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 1 O4'-C1'-N19 112.476 4.276 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 O4'-C1'-N19 112.234 4.034 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . 0.411 HO2' " C5'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.5 0 O4'-C1'-N19 111.421 3.221 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.411 " C5'" HO2' ' B' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 O4'-C1'-N19 111.667 3.467 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C5'-C4'-C3' 110.249 -3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.867 1 O4'-C1'-N19 112.409 4.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.454 1 C5'-C4'-C3' 109.242 -4.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 C4'-C3'-C2' 99.578 -3.122 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C1'-N19 111.335 3.135 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C3'-C2'-C1' 104.113 2.903 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.58 1 C4'-C3'-C2' 98.562 -4.138 . 0.018 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . 0.424 ' C2 ' " H1'" ' B' ' 59' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.646 0 O4'-C1'-N19 112.119 3.919 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.244 0 C5'-C4'-C3' 109.53 -3.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 C3'-C2'-C1' 104.75 3.611 . 0.419 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.698 1 C3'-C2'-C1' 106.014 5.015 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.434 0 O4'-C1'-N19 111.35 3.15 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 99.687 -3.013 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 2 C4'-C3'-C2' 97.346 -5.354 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.333 0 O4'-C1'-N19 111.928 3.728 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.762 0 C4'-C3'-C2' 99.414 -3.286 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 1 C4'-C3'-C2' 97.815 -4.885 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 2 O4'-C1'-N19 112.466 4.266 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 111.33 3.13 . 0.884 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.453 3.253 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.554 -3.146 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C4'-C3'-C2' 99.255 -3.445 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 O4'-C1'-N19 111.62 3.42 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 1 O4'-C1'-N19 112.44 4.24 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 1 C3'-C2'-C1' 105.223 4.137 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . 0.407 " H2'" ' CE1' ' C' ' 128' ' ' TYR . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-O3' 120.324 3.74 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.252 1 P-O3'-C3' 127.348 6.373 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-O3' 120.147 3.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.553 2.618 0 O4'-C1'-N19 112.118 3.918 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.622 3 O4'-C1'-N19 112.635 4.435 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 O4'-C1'-N19 111.177 2.977 . 0.19 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 O4'-C1'-N19 111.165 2.965 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 1 C4'-C3'-C2' 98.337 -4.363 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.474 0 O4'-C1'-N19 111.195 2.995 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C5'-C4'-O4' 113.118 2.799 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C5'-C4'-O4' 113.105 2.789 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 99.697 -3.003 . 0.326 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O5'-C5'-C4' 115.061 3.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 98.844 -3.856 . 0.222 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 O4'-C1'-N19 111.723 3.523 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.377 0 O4'-C1'-N19 112.039 3.839 . 0.079 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.013 0 O4'-C1'-N19 112.018 3.818 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.235 0 C4'-C3'-C2' 99.831 -2.869 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C4'-C3'-C2' 99.35 -3.35 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C5'-C4'-O4' 113.894 3.353 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.893 3.693 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 1 C4'-C3'-C2' 98.641 -4.059 . 0.393 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.281 2 P-O3'-C3' 125.325 4.688 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 C4'-C3'-C2' 99.693 -3.007 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.801 1 O4'-C1'-N19 114.882 6.682 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . 0.424 " H1'" ' C2 ' ' B' ' 15' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.835 0 C5'-C4'-O4' 113.808 3.292 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O3'-P-O5' 99.659 -2.285 . 0.357 2g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.557 0 C5'-C4'-O4' 114.178 3.555 . 0.693 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 111.685 3.485 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 0 O4'-C1'-N19 112.099 3.899 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 C4'-C3'-C2' 99.707 -2.993 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C4'-C3'-C2' 99.705 -2.995 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . 0.549 HO2' " H5'" ' B' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 O4'-C1'-N19 111.696 3.496 . 0.465 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . 0.549 " H5'" HO2' ' B' ' 66' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.545 2.662 0 O4'-C1'-N19 111.708 3.508 OUTLIER-EPSILON 0.142 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.55 -4.736 1 P-O3'-C3' 131.433 9.777 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.259 -3.441 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C4'-C3'-C2' 99.63 -3.07 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 O4'-C1'-N19 111.606 3.406 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 O4'-C1'-N19 111.605 3.405 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.564 -0.161 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -142.04 144.45 33.61 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.064 1.346 . . . . 0.0 110.338 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.27 168.67 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.774 1.63 . . . . 0.0 111.585 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.32 147.47 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.094 1.358 . . . . 0.0 112.526 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 95.2 p -152.55 168.31 25.99 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.744 1.218 . . . . 0.0 112.701 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.8 -155.73 23.56 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 125.099 1.333 . . . . 0.0 112.497 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -142.46 155.66 45.1 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.288 1.435 . . . . 0.0 111.186 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -51.41 140.32 17.76 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.531 1.532 . . . . 0.0 112.688 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -146.32 148.52 32.49 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.987 1.715 . . . . 0.0 109.847 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -149.12 166.8 27.7 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.003 1.321 . . . . 0.0 112.591 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -151.24 -176.21 5.47 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.869 1.668 . . . . 0.0 111.998 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -129.98 164.72 23.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.508 1.523 . . . . 0.0 111.374 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 167.06 171.95 33.74 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.24 1.4 . . . . 0.0 113.16 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.76 177.2 36.38 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.672 1.13 . . . . 0.0 113.413 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -150.02 147.6 28.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.676 1.19 . . . . 0.0 110.964 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -76.25 2.7 12.52 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -53.21 -25.64 14.73 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -72.78 87.4 1.28 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.954 1.701 . . . . 0.0 111.29 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 39.5 m 45.71 38.27 4.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.61 1.564 . . . . 0.0 115.078 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 58.35 29.2 17.81 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.282 1.833 . . . . 0.0 115.063 -178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.55 170.95 9.67 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.088 0.955 . . . . 0.0 110.806 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' C' ' 124' ' ' ASP . 27.8 t0 -133.94 146.96 50.98 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.349 1.46 . . . . 0.0 107.788 173.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -75.09 17.36 0.24 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.787 -1.196 . . . . 0.0 113.887 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' C' ' 122' ' ' ASP . 39.1 t70 -131.48 9.07 4.66 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 128.457 2.703 . . . . 0.0 111.269 174.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -117.3 141.82 47.84 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.164 1.385 . . . . 0.0 110.8 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.4 t -73.61 127.62 33.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.838 1.255 . . . . 0.0 112.843 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.75 8.47 14.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' TYR . . . . . 0.407 ' CE1' " H2'" ' B' ' 34' ' ' ' A' . 41.5 t80 -114.31 -35.03 5.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 114.021 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.38 -5.92 5.35 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 80.7 mttt 78.38 -5.59 2.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.401 2.681 . . . . 0.0 115.801 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -65.55 159.86 23.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.03 1.286 . . . . 0.0 112.37 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -114.42 146.54 40.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.566 1.146 . . . . 0.0 112.034 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 112.9 -3.21 25.78 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.672 2.082 . . . . 0.0 113.622 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -157.43 -179.89 8.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.067 1.747 . . . . 0.0 111.998 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -120.29 166.8 13.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.077 2.151 . . . . 0.0 109.51 176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.1 21.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.482 1.113 . . . . 0.0 112.413 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -49.11 -29.09 4.82 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.798 2.439 . . . . 0.0 113.996 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -129.35 18.03 5.92 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.195 2.198 . . . . 0.0 112.812 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 40.1 t -57.65 128.03 79.17 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.56 -13.14 32.41 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.72 2.28 . . . . 0.0 112.552 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -87.1 -14.05 42.47 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.029 1.732 . . . . 0.0 112.733 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -69.36 159.19 84.47 Favored Pre-proline 0 N--CA 1.48 1.073 0 C-N-CA 123.793 0.837 . . . . 0.0 110.946 175.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.25 -24.19 3.57 Favored 'Trans proline' 0 CA--C 1.545 1.042 1 C-N-CA 125.322 4.014 . . . . 0.0 116.839 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 53.14 35.85 20.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.059 2.143 . . . . 0.0 115.181 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -175.15 168.35 40.85 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 123.951 0.786 . . . . 0.0 114.649 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -78.72 150.17 86.51 Favored 'Cis proline' 0 CA--C 1.541 0.829 0 CA-C-N 117.763 0.781 . . . . 0.0 112.323 26.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -141.83 34.32 1.59 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.643 1.177 . . . . 0.0 113.538 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 178.25 -179.72 48.46 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.002 1.287 . . . . 0.0 113.8 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.07 177.46 7.76 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.043 3.162 . . . . 0.0 112.853 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -52.71 152.7 6.48 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 125.724 1.609 . . . . 0.0 112.074 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.11 -21.47 65.85 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.098 2.532 . . . . 0.0 114.776 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -76.4 -5.63 48.12 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.29 1.436 . . . . 0.0 113.106 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 54.5 m -138.25 168.36 19.9 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.076 1.75 . . . . 0.0 111.26 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 12.4 t -146.98 159.69 43.25 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.133 1.373 . . . . 0.0 111.147 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 58.6 tp -151.05 141.48 22.47 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.512 1.525 . . . . 0.0 110.786 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 126.943 2.097 . . . . 0.0 113.089 179.501 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.601 0.239 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 p -70.09 162.68 27.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.72 1.208 . . . . 0.0 112.715 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.44 151.46 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.304 1.442 . . . . 0.0 110.836 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.54 164.78 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.957 1.703 . . . . 0.0 111.367 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -131.53 0.27 4.01 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.181 1.393 . . . . 0.0 114.518 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 175.85 177.03 44.56 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.038 1.304 . . . . 0.0 113.187 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -143.74 163.43 33.32 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.018 1.727 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -139.61 158.39 44.19 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.781 1.632 . . . . 0.0 111.633 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -134.98 13.47 3.61 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.689 1.596 . . . . 0.0 112.744 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -149.65 161.58 41.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.623 1.569 . . . . 0.0 111.46 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -151.69 179.35 8.48 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.636 1.574 . . . . 0.0 112.942 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -135.22 149.59 49.92 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.441 1.496 . . . . 0.0 111.133 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.8 157.23 10.83 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.787 1.661 . . . . 0.0 112.734 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.78 17.22 0.03 OUTLIER Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.977 1.551 . . . . 0.0 116.977 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -137.78 179.88 6.16 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.959 1.704 . . . . 0.0 111.431 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -125.07 155.63 39.51 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.243 1.817 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -69.74 82.42 0.44 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.821 1.648 . . . . 0.0 111.116 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -133.08 171.78 13.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.407 2.283 . . . . 0.0 111.64 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 m -137.27 165.98 24.86 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.282 1.833 . . . . 0.0 110.77 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -56.29 129.62 41.13 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.693 0.797 . . . . 0.0 111.957 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 mt -146.53 162.48 38.24 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.848 1.659 . . . . 0.0 111.581 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -143.21 158.68 43.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.258 2.623 . . . . 0.0 107.078 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -69.1 5.62 1.15 Allowed 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -126.6 18.47 7.43 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.808 2.043 . . . . 0.0 112.183 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -121.78 139.59 53.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.838 1.255 . . . . 0.0 112.073 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.48 126.82 30.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.648 1.579 . . . . 0.0 114.369 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.84 -15.98 63.19 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.053 -1.03 . . . . 0.0 113.439 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -93.68 -62.18 1.41 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.37 -10.21 24.11 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.273 12.0 mptt 72.51 6.82 5.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.832 2.453 . . . . 0.0 115.236 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.11 165.22 22.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.516 1.053 . . . . 0.0 111.266 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -103.06 162.32 13.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.953 1.301 . . . . 0.0 113.89 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.42 0.21 73.57 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 126.116 1.817 . . . . 0.0 115.106 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -158.97 177.49 11.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.242 1.417 . . . . 0.0 112.514 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -114.85 166.14 12.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.997 2.119 . . . . 0.0 109.372 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.84 39.24 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.5 0.72 . . . . 0.0 112.867 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -51.28 -25.94 6.56 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.982 2.113 . . . . 0.0 114.267 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -128.24 18.15 6.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.838 1.655 . . . . 0.0 113.322 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.88 124.96 46.09 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.11 -23.29 68.36 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 123.522 2.814 . . . . 0.0 114.331 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -95.28 17.09 15.03 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.349 1.86 . . . . 0.0 112.844 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -135.4 142.83 42.86 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 126.831 2.053 . . . . 0.0 110.061 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.72 140.12 38.06 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.371 2.714 . . . . 0.0 113.839 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -142.93 161.67 37.51 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 126.053 1.741 . . . . 0.0 111.903 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.74 -41.77 96.06 Favored Glycine 0 CA--C 1.543 1.806 0 CA-C-O 117.877 -1.513 . . . . 0.0 115.95 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -59.57 -21.36 2.7 Favored 'Cis proline' 0 CA--C 1.543 0.954 0 CA-C-N 119.868 1.834 . . . . 0.0 114.629 -29.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -59.96 152.78 22.83 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.492 1.517 . . . . 0.0 113.143 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.59 -176.95 43.97 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 124.637 1.113 . . . . 0.0 113.713 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.0 170.66 17.52 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.001 3.134 . . . . 0.0 112.768 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.48 153.44 62.26 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 125.589 1.555 . . . . 0.0 112.425 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.87 162.74 41.57 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.393 2.728 . . . . 0.0 113.037 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -146.42 -24.45 0.43 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.36 1.064 . . . . 0.0 113.859 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m 59.28 13.19 2.95 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 126.073 1.749 . . . . 0.0 114.541 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 t -161.19 159.47 28.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.343 1.857 . . . . 0.0 110.417 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 125.288 1.435 . . . . 0.0 110.649 179.272 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 C4'-C3'-C2' 99.582 -3.118 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.764 -2.936 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.431 3.231 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 O4'-C1'-N19 112.07 3.87 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.25 1 O4'-C1'-N19 113.189 4.989 . 0.565 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.614 0 C3'-C2'-C1' 104.899 3.776 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 O4'-C1'-N19 112.391 4.191 . 0.442 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C5'-C4'-C3' 109.973 -3.685 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.671 2 O4'-C1'-N19 113.453 5.253 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5q' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.633 1 O4'-C1'-N19 112.966 4.766 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 1 O4'-C1'-N19 112.609 4.409 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 1 O4'-C1'-N19 112.368 4.168 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.319 0 O4'-C1'-N19 110.588 2.388 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.119 -3.581 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.66 0 O4'-C1'-N19 111.593 3.393 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.814 0 O4'-C1'-N19 111.079 2.879 OUTLIER-DELTA 0.0 OUTLIER '7D dist 3d' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.407 " H2'" ' C2 ' ' B' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C3'-C2'-C1' 104.558 3.397 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.724 0 C3'-C2'-C1' 104.972 3.858 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.378 0 N19-C1'-C2' 118.12 2.95 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.431 0 C4'-C3'-C2' 99.129 -3.571 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.05 2 C4'-C3'-C2' 97.692 -5.008 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.357 1 O4'-C1'-N19 112.449 4.249 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.812 0 O4'-C1'-N19 110.914 2.714 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.844 2 O4'-C1'-N19 114.01 5.81 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.587 2 O4'-C1'-N19 112.423 4.223 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 O4'-C1'-N19 111.659 3.459 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.9 3.7 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.242 -3.458 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C5'-C4'-O4' 112.18 2.128 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C3'-C2'-C1' 103.818 2.575 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.657 -3.043 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 O4'-C1'-N19 112.096 3.896 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . 0.477 HO2' " C5'" ' B' ' 35' ' ' ' G' . . . . . . . . 0 P--O5' 1.62 2.693 0 O5'-C5'-C4' 115.538 3.813 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.477 " C5'" HO2' ' B' ' 34' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.219 1 C5'-C4'-O4' 115.525 4.518 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.464 1 C4'-C3'-O3' 121.285 4.11 OUTLIER-EPSILON 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 P-O3'-C3' 125.307 4.673 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 C4'-C3'-C2' 98.969 -3.731 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . 0.414 " H2'" ' C6 ' ' B' ' 40' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.964 -2.736 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . 0.414 ' C6 ' " H2'" ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C4'-C3'-C2' 99.981 -2.719 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.968 1 C4'-C3'-C2' 97.917 -4.783 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.396 0 C5'-C4'-O4' 113.606 3.147 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C5'-C4'-O4' 113.028 2.734 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 2 C4'-C3'-C2' 98.441 -4.259 . 0.368 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.492 -3.208 . 0.179 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 O4'-C4'-C3' 109.233 2.666 . 0.455 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 C3'-C2'-C1' 104.276 3.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.949 1 O4'-C1'-N19 112.492 4.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 0 P-O3'-C3' 124.471 3.976 . 0.01 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 2 C4'-C3'-C2' 98.444 -4.256 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.938 0 O4'-C1'-N19 111.864 3.664 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 0 C4'-C3'-C2' 99.941 -2.759 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 C5'-C4'-O4' 113.437 3.027 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O4'-C1'-N19 111.602 3.402 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 110.236 2.036 . 0.463 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.505 1 O4'-C1'-N19 112.738 4.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . 0.407 ' C2 ' " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C5'-C4'-C3' 111.99 -2.34 . 0.387 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.948 1 O4'-C1'-N19 112.69 4.49 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.294 0 C5'-C4'-O4' 113.454 3.039 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.297 0 N19-C1'-C2' 116.897 2.185 . 0.01 2g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.849 1 O5'-C5'-C4' 117.995 5.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 110.973 2.773 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 C4'-C3'-C2' 99.915 -2.785 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 100.178 -2.522 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.041 0 O4'-C1'-N19 111.777 3.577 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 2 O4'-C1'-N19 112.635 4.435 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C5'-C4'-C3' 110.039 -3.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.011 0 C4'-C3'-C2' 99.283 -3.417 . 0.159 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 99.781 -2.919 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C4'-C3'-C2' 99.675 -3.025 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 111.635 3.435 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.265 0 O4'-C1'-N19 111.728 3.528 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 10.2 t -144.9 -24.08 0.5 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 10.9 p -150.52 153.12 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.569 1.547 . . . . 0.0 110.498 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 24.4 m -141.57 160.8 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.696 1.599 . . . . 0.0 111.715 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -156.15 174.25 15.64 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.609 1.564 . . . . 0.0 111.236 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 163.37 -21.26 0.16 Allowed Glycine 0 CA--C 1.537 1.457 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -60.35 131.9 52.23 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.64 1.22 . . . . 0.0 112.109 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -155.28 159.62 40.16 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.922 1.689 . . . . 0.0 111.925 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -138.13 164.25 29.61 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.67 1.588 . . . . 0.0 111.791 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -136.81 156.47 48.46 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.35 1.46 . . . . 0.0 111.109 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -82.09 -20.01 39.0 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -159.15 171.18 20.4 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.92 2.088 . . . . 0.0 109.698 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.86 164.12 26.83 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.592 1.568 . . . . 0.0 111.788 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.08 177.62 40.49 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.466 1.031 . . . . 0.0 113.571 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.54 162.48 35.74 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.895 1.678 . . . . 0.0 111.185 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -112.46 -178.98 3.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.913 1.685 . . . . 0.0 111.81 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -49.35 153.9 0.97 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 45.25 36.93 2.43 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 127.208 2.203 . . . . 0.0 113.349 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 26.7 m 48.43 26.71 1.21 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.691 1.997 . . . . 0.0 113.648 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 50.56 30.71 4.97 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.483 1.913 . . . . 0.0 113.23 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 52.8 mt 38.49 88.07 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.27 2.628 . . . . 0.0 114.101 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -66.3 132.38 48.23 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 106.276 -1.749 . . . . 0.0 106.276 172.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -63.17 -3.38 1.78 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -171.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.65 -11.82 28.54 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.981 1.312 . . . . 0.0 113.06 173.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -87.7 172.36 9.75 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.142 1.777 . . . . 0.0 114.238 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.76 126.82 52.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.244 1.818 . . . . 0.0 110.499 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.12 -2.67 19.43 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -109.78 -40.05 4.92 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.91 1.232 . . . . 0.0 114.305 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.9 -4.28 9.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 84.0 mttt 72.97 2.01 4.23 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.945 2.098 . . . . 0.0 115.129 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.29 176.68 1.7 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.362 0.983 . . . . 0.0 111.091 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -124.65 157.74 34.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.991 1.317 . . . . 0.0 113.001 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.42 66.86 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.752 1.644 . . . . 0.0 114.628 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -154.92 165.1 37.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.165 1.786 . . . . 0.0 111.002 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -106.3 169.08 8.72 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.701 1.6 . . . . 0.0 110.751 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.61 -41.0 54.36 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.026 0.93 . . . . 0.0 112.926 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -58.0 -13.89 5.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.197 1.799 . . . . 0.0 114.623 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.41 11.69 4.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.929 2.092 . . . . 0.0 112.173 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 33.7 t -56.94 124.06 62.78 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 124.612 1.165 . . . . 0.0 112.758 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -70.73 -6.6 19.44 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.214 2.609 . . . . 0.0 113.289 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -113.32 -5.89 13.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.815 1.646 . . . . 0.0 113.206 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -83.87 134.65 43.8 Favored Pre-proline 0 N--CA 1.476 0.865 0 CA-C-N 119.405 1.002 . . . . 0.0 111.914 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -75.5 172.28 16.62 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 123.62 2.88 . . . . 0.0 112.957 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.61 159.97 6.02 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.379 1.872 . . . . 0.0 113.492 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.7 -165.01 2.73 Favored Glycine 0 CA--C 1.546 1.981 0 C-N-CA 125.959 1.743 . . . . 0.0 115.084 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -58.2 -25.41 1.89 Allowed 'Cis proline' 0 C--N 1.352 0.733 0 N-CA-C 115.467 1.295 . . . . 0.0 115.467 -23.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -135.84 152.15 50.77 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.317 2.247 . . . . 0.0 109.339 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.99 52.21 0.36 Allowed Glycine 0 CA--C 1.537 1.468 0 N-CA-C 116.586 1.394 . . . . 0.0 116.586 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.91 174.13 12.86 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 123.394 2.73 . . . . 0.0 112.409 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -120.66 73.67 23.56 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 126.767 2.027 . . . . 0.0 111.458 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -81.61 34.66 0.56 Allowed 'Trans proline' 0 CA--C 1.551 1.355 1 C-N-CA 125.343 4.029 . . . . 0.0 114.181 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.34 152.44 21.17 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.8 -1.187 . . . . 0.0 113.903 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 43.5 p -136.45 -5.06 2.04 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 21.7 m -135.86 23.6 3.34 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.88 1.272 . . . . 0.0 113.669 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 95.2 mt -136.9 160.47 38.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.687 1.595 . . . . 0.0 111.869 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--O 1.241 0.638 0 C-N-CA 125.056 1.342 . . . . 0.0 112.423 178.754 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.634 0.254 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.1 p -140.9 168.17 20.43 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.816 1.647 . . . . 0.0 111.712 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.7 p -148.37 150.4 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.407 1.483 . . . . 0.0 110.57 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.45 163.83 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 125.778 1.631 . . . . 0.0 111.848 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -153.35 167.13 30.44 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.532 1.533 . . . . 0.0 111.109 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.45 177.16 48.17 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.637 1.113 . . . . 0.0 113.878 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -133.85 29.43 3.8 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.625 1.57 . . . . 0.0 112.353 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -134.17 17.31 3.76 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.489 1.515 . . . . 0.0 113.74 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -137.28 10.45 3.0 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.076 1.75 . . . . 0.0 112.706 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -65.16 156.59 31.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.786 1.634 . . . . 0.0 113.347 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -156.35 167.54 30.12 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.656 1.582 . . . . 0.0 112.628 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -156.54 166.94 31.95 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.951 1.7 . . . . 0.0 111.509 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.52 166.07 29.14 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.294 0.95 . . . . 0.0 114.471 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.21 179.45 48.9 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.654 1.121 . . . . 0.0 114.601 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -151.65 -30.71 0.16 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.944 1.298 . . . . 0.0 112.993 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -144.95 178.28 8.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.716 2.006 . . . . 0.0 111.399 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -44.66 146.3 0.77 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.138 1.775 . . . . 0.0 114.636 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 49.12 30.51 3.0 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 126.508 1.923 . . . . 0.0 112.787 -175.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m 48.03 30.32 2.02 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.846 2.058 . . . . 0.0 114.1 -176.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 53.26 35.68 20.72 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.06 1.744 . . . . 0.0 113.947 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt -57.2 152.44 13.72 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.811 1.245 . . . . 0.0 113.625 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -154.45 167.35 30.33 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.622 1.969 . . . . 0.0 108.786 174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -65.91 11.04 0.08 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.903 2.481 . . . . 0.0 114.973 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -128.76 13.07 6.36 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.646 1.979 . . . . 0.0 113.636 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -124.87 164.96 18.93 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.598 1.159 . . . . 0.0 113.644 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -98.46 131.5 44.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.503 1.521 . . . . 0.0 111.579 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.59 -10.33 59.44 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.27 -32.58 6.23 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.372 2.36 . . . . 0.0 117.372 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 -2.66 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER 76.43 -3.49 2.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 128.613 2.765 . . . . 0.0 115.425 178.523 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.25 173.14 2.11 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.31 163.5 18.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.247 2.219 . . . . 0.0 111.826 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.94 -6.68 65.58 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.647 1.118 . . . . 0.0 114.894 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -149.59 169.34 21.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.947 1.699 . . . . 0.0 110.782 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -120.44 166.66 13.27 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.776 1.63 . . . . 0.0 110.201 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.81 -37.64 6.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.505 1.122 . . . . 0.0 113.919 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -56.36 -22.55 31.84 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.907 1.683 . . . . 0.0 115.074 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.49 10.78 9.19 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.615 1.966 . . . . 0.0 112.166 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -60.74 133.19 91.77 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.712 1.205 . . . . 0.0 113.411 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -66.86 -16.83 51.03 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 122.369 2.046 . . . . 0.0 112.352 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -85.56 -14.75 44.86 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.563 1.545 . . . . 0.0 113.303 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -98.05 151.3 37.48 Favored Pre-proline 0 N--CA 1.481 1.11 0 CA-C-N 119.693 1.133 . . . . 0.0 113.949 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.69 174.24 12.08 Favored 'Trans proline' 0 CA--C 1.547 1.173 0 C-N-CA 124.143 3.229 . . . . 0.0 111.812 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -146.73 151.63 37.5 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.049 1.34 . . . . 0.0 112.022 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.63 175.8 38.17 Favored Glycine 0 CA--C 1.544 1.877 0 C-N-CA 126.34 1.924 . . . . 0.0 112.218 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.36 169.66 47.38 Favored 'Cis proline' 0 CA--C 1.538 0.71 0 CA-C-N 118.797 1.299 . . . . 0.0 113.67 28.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -122.94 45.54 2.38 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.082 1.753 . . . . 0.0 112.535 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.34 164.85 36.36 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.692 2.092 . . . . 0.0 111.384 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.99 171.76 16.02 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.47 2.78 . . . . 0.0 112.875 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -128.96 69.53 80.86 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 125.477 1.511 . . . . 0.0 110.196 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.6 140.47 36.41 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 124.239 3.293 . . . . 0.0 115.55 -176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -146.21 170.63 16.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.063 2.145 . . . . 0.0 110.289 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 p -136.84 156.11 48.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.2 1.4 . . . . 0.0 112.148 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.2 p -140.81 3.75 1.86 Allowed 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 125.602 1.561 . . . . 0.0 111.269 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.134 0 C4'-C3'-C2' 99.535 -3.165 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C4'-C3'-C2' 99.464 -3.236 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 O4'-C1'-N19 111.921 3.721 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.705 3.505 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 O4'-C1'-N19 111.31 3.11 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . 0.475 HO2' " C5'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 O4'-C1'-N19 111.462 3.262 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.475 " C5'" HO2' ' B' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.54 2.278 0 O4'-C1'-N19 112.098 3.898 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.827 2 O5'-C5'-C4' 117.07 4.907 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.332 1 O4'-C1'-N19 113.323 5.123 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.002 1 C5'-C4'-C3' 109.224 -4.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 O4'-C1'-N19 111.893 3.693 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 112.666 4.466 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.347 0 O4'-C1'-N19 111.667 3.467 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C4'-C3'-C2' 99.43 -3.27 . 0.076 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.398 1 C3'-C2'-C1' 105.169 4.077 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 1 O4'-C1'-N19 115.579 7.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.608 0 C5'-C4'-C3' 110.433 -3.378 . 0.406 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 1 C3'-C2'-C1' 105.516 4.462 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 C3'-C2'-C1' 104.762 3.624 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.274 0 O5'-C5'-C4' 115.598 3.856 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.011 2 C4'-C3'-C2' 97.282 -5.418 . 0.345 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.348 1 O4'-C1'-N19 112.772 4.572 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 C5'-C4'-C3' 111.72 -2.52 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 99.134 -3.566 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 1 O4'-C1'-N19 112.459 4.259 . 0.217 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 O4'-C1'-N19 111.923 3.723 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 111.299 3.099 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.616 -3.084 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 100.366 -2.334 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.436 -3.264 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 O4'-C1'-N19 111.632 3.432 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 O4'-C1'-N19 111.944 3.744 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.631 0 C5'-C4'-O4' 114.144 3.531 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.833 1 O4'-C1'-N19 113.132 4.932 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.255 2 P-O3'-C3' 125.724 5.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . 0.45 ' H22' ' HA ' ' C' ' 123' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O5'-C5'-C4' 115.758 3.97 OUTLIER-DELTA 0.01 3d . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C3'-C2'-C1' 104.724 3.583 . 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C4'-C3' 108.605 2.218 . 0.154 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C5'-C4'-O4' 113.34 2.957 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 1 C4'-C3'-C2' 98.209 -4.491 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.359 0 C5'-C4'-O4' 113.441 3.029 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C5'-C4'-O4' 112.263 2.188 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 C4'-C3'-C2' 99.591 -3.109 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O5'-C5'-C4' 115.351 3.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C2'-C3'-O3' 119.413 3.005 . 0.738 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 P-O3'-C3' 123.293 2.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.631 0 P-O3'-C3' 123.089 2.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.529 1 O4'-C1'-N19 112.281 4.081 . 0.012 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 O4'-C1'-N19 111.889 3.689 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.173 0 C4'-C3'-C2' 99.656 -3.044 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.268 0 C4'-C3'-C2' 99.87 -2.83 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 C5'-C4'-O4' 113.48 3.057 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 1 O4'-C1'-N19 112.582 4.382 . 0.479 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 N19-C1'-C2' 116.507 1.942 . 0.387 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.524 1 O4'-C1'-N19 112.548 4.348 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.671 1 C5'-C4'-O4' 115.128 4.234 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.462 1 O4'-C1'-N19 112.217 4.017 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.665 1 O4'-C1'-N19 113.382 5.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.514 0 C4'-C3'-O3' 118.07 2.873 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.266 0 P-O3'-C3' 123.719 3.349 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.059 0 O4'-C1'-N19 111.414 3.214 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.066 0 O4'-C1'-N19 111.685 3.485 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 O4'-C1'-N19 110.653 2.453 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 C4'-C3'-C2' 100.424 -2.276 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.169 0 O4'-C1'-N19 110.535 2.335 . 0.01 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C3'-C2'-C1' 104.388 3.209 . 0.247 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.859 0 P-O3'-C3' 124.082 3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 99.938 -2.762 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C4'-C3'-C2' 99.761 -2.939 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 111.783 3.583 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 O4'-C1'-N19 111.713 3.513 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.422 0.154 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 36.0 p -109.06 -9.15 15.08 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.294 1.438 . . . . 0.0 114.253 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.15 137.58 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.471 1.908 . . . . 0.0 110.066 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.29 7.92 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -144.87 171.73 14.02 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.48 1.112 . . . . 0.0 112.208 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 171.26 -161.36 33.87 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 126.269 1.89 . . . . 0.0 111.936 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -46.38 145.16 1.82 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.13 2.172 . . . . 0.0 113.761 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -136.14 162.44 32.94 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.316 1.446 . . . . 0.0 111.535 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -148.62 -17.05 0.32 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.0 144.23 48.9 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.024 1.33 . . . . 0.0 112.559 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -144.51 163.91 32.46 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.202 1.801 . . . . 0.0 111.761 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -134.53 12.36 3.77 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.482 1.513 . . . . 0.0 113.823 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.38 178.09 48.14 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.678 1.609 . . . . 0.0 112.552 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.6 -178.53 48.38 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.187 0.899 . . . . 0.0 113.896 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -148.4 173.54 12.97 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.702 1.601 . . . . 0.0 111.504 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -143.59 -27.69 0.54 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.051 1.341 . . . . 0.0 112.966 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 47.23 34.64 3.19 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.292 1.837 . . . . 0.0 115.127 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 29.0 mmt-85 -83.01 168.17 17.22 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.184 2.194 . . . . 0.0 111.669 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.6 m -52.34 107.11 0.18 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.321 1.448 . . . . 0.0 111.206 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 50.57 39.67 21.8 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.543 1.537 . . . . 0.0 113.115 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -155.86 128.91 8.06 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.442 1.097 . . . . 0.0 113.212 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ASP . . . . . 0.443 ' C ' ' H ' ' C' ' 124' ' ' ASP . 22.2 t0 -140.37 159.02 43.12 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.541 1.536 . . . . 0.0 107.39 169.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . 0.45 ' HA ' ' H22' ' B' ' 37' ' ' ' G' . 56.5 mtt85 -60.14 12.28 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 127.851 2.46 . . . . 0.0 116.873 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' C' ' 122' ' ' ASP . 24.9 t70 -122.15 4.26 9.81 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.638 1.975 . . . . 0.0 114.415 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -136.44 131.22 33.79 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.371 -1.456 . . . . 0.0 113.268 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.46 129.86 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.476 -1.39 . . . . 0.0 113.383 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.95 -27.29 60.13 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.513 -0.742 . . . . 0.0 112.525 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -78.27 -39.04 41.26 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.0 -5.16 6.23 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.256 70.6 mmtt 71.18 5.2 5.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.038 2.135 . . . . 0.0 115.666 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.08 141.1 54.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.064 1.302 . . . . 0.0 111.289 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -87.5 143.05 27.41 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.436 1.094 . . . . 0.0 111.679 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 110.11 -8.3 31.18 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.332 1.444 . . . . 0.0 116.505 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -151.22 178.4 9.28 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.232 1.516 . . . . 0.0 112.87 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -118.5 156.54 28.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.849 2.06 . . . . 0.0 110.909 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.24 -39.35 44.52 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.849 1.66 . . . . 0.0 113.122 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.18 -22.36 6.44 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.699 1.6 . . . . 0.0 113.506 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -131.82 15.93 4.78 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.03 2.132 . . . . 0.0 113.112 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 31.5 t -56.37 132.39 76.21 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.788 1.235 . . . . 0.0 113.801 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.01 -9.15 24.19 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.254 2.636 . . . . 0.0 112.515 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -107.74 2.17 23.52 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.369 2.268 . . . . 0.0 112.234 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.08 80.62 70.6 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.659 1.583 . . . . 0.0 110.815 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.69 162.0 1.14 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.738 3.625 . . . . 0.0 116.457 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -95.97 35.92 1.36 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.475 1.91 . . . . 0.0 111.771 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 177.34 179.77 47.76 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.757 1.646 . . . . 0.0 113.314 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -81.11 158.54 83.58 Favored 'Cis proline' 0 CA--C 1.54 0.813 0 CA-C-N 118.194 0.997 . . . . 0.0 112.729 27.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -143.54 32.66 1.3 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.265 1.426 . . . . 0.0 113.999 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 179.3 175.06 45.92 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.494 1.521 . . . . 0.0 113.39 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.67 166.21 30.54 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.995 3.13 . . . . 0.0 112.863 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -63.24 157.05 65.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.693 1.197 . . . . 0.0 112.161 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.87 19.1 0.29 Allowed 'Trans proline' 0 CA--C 1.551 1.35 0 C-N-CA 124.429 3.419 . . . . 0.0 116.054 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -149.0 169.78 19.84 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.047 1.739 . . . . 0.0 111.335 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 32.2 p -60.47 162.2 6.59 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.592 1.157 . . . . 0.0 113.092 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 15.7 t -153.31 167.41 29.46 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.882 1.273 . . . . 0.0 111.863 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 96.6 mt -126.64 4.56 6.77 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.623 1.969 . . . . 0.0 112.436 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.473 0.716 0 C-N-CA 127.242 2.217 . . . . 0.0 113.138 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.36 0.124 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 m -140.39 145.94 37.72 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.32 1.448 . . . . 0.0 110.363 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.51 162.4 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.63 1.572 . . . . 0.0 111.877 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.86 159.65 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.971 1.709 . . . . 0.0 110.369 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -146.7 162.25 38.89 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.921 1.288 . . . . 0.0 111.892 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.94 -175.09 47.03 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.449 1.499 . . . . 0.0 113.202 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -140.86 162.32 35.72 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.475 1.51 . . . . 0.0 112.187 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -132.05 3.63 4.05 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.629 1.572 . . . . 0.0 113.801 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.23 153.21 43.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.37 1.068 . . . . 0.0 112.469 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.65 172.37 11.62 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.118 1.367 . . . . 0.0 113.236 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -141.51 127.36 19.29 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.911 1.284 . . . . 0.0 111.38 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -72.35 149.51 44.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.489 1.115 . . . . 0.0 110.26 176.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.99 173.76 32.57 Favored Glycine 0 CA--C 1.534 1.241 0 O-C-N 121.538 -0.727 . . . . 0.0 114.76 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.3 -153.56 23.47 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.852 1.691 . . . . 0.0 111.676 -178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -140.24 148.75 41.96 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.582 -0.952 . . . . 0.0 111.262 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -138.54 172.53 12.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.353 2.261 . . . . 0.0 109.738 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -125.51 136.08 52.96 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.27 1.428 . . . . 0.0 109.906 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -72.86 154.3 40.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.596 1.158 . . . . 0.0 112.2 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.8 m -128.59 -172.76 2.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.042 2.137 . . . . 0.0 109.459 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -55.89 112.78 1.27 Allowed 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.97 -1.081 . . . . 0.0 111.613 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.8 mt -139.45 149.6 44.22 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.695 1.998 . . . . 0.0 109.096 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 24' ' ' ASP . 11.8 m-20 -143.29 156.03 44.62 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 126.46 1.904 . . . . 0.0 107.534 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -75.41 22.1 0.13 Allowed 'General case' 0 N--CA 1.484 1.266 0 O-C-N 120.704 -1.247 . . . . 0.0 112.994 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' ' 22' ' ' ASP . 19.6 m-20 -133.47 10.22 4.05 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 129.201 3.001 . . . . 0.0 111.438 175.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -130.37 138.64 50.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.243 1.417 . . . . 0.0 111.8 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.87 131.17 44.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.382 1.473 . . . . 0.0 112.957 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.57 -13.35 60.35 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -100.92 -32.98 10.39 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.88 -3.94 8.12 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 72.01 -0.41 3.23 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.504 2.322 . . . . 0.0 115.073 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.57 159.26 30.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.476 1.035 . . . . 0.0 111.848 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -109.23 154.89 21.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.939 1.296 . . . . 0.0 112.109 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.23 56.9 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.484 1.516 . . . . 0.0 114.505 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -152.02 179.1 8.77 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.658 1.583 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -121.18 161.91 21.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.442 1.897 . . . . 0.0 109.726 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -33.68 22.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.235 1.014 . . . . 0.0 113.406 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -50.42 -29.5 10.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.365 1.866 . . . . 0.0 113.407 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -127.09 19.52 7.01 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.407 1.883 . . . . 0.0 112.977 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t -54.54 129.24 62.27 Favored Pre-proline 0 CA--C 1.553 1.084 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.24 -18.01 39.66 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.843 2.362 . . . . 0.0 113.151 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -74.95 -20.91 59.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.74 0.816 . . . . 0.0 111.956 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 151.72 65.42 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 124.189 0.996 . . . . 0.0 112.156 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -75.64 40.19 0.69 Allowed 'Trans proline' 0 CA--C 1.553 1.456 0 C-N-CA 125.025 3.817 . . . . 0.0 112.777 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -54.45 149.29 10.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.824 2.05 . . . . 0.0 114.134 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.63 -174.36 30.36 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 126.86 2.171 . . . . 0.0 112.366 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.73 136.03 37.06 Favored 'Cis proline' 0 CA--C 1.537 0.662 0 CA-C-N 118.945 1.372 . . . . 0.0 111.753 28.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -160.22 141.66 12.48 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.755 1.622 . . . . 0.0 110.876 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.9 54.94 0.03 OUTLIER Glycine 0 CA--C 1.539 1.567 0 CA-C-O 118.376 -1.235 . . . . 0.0 115.195 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -70.12 155.19 65.33 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.003 2.469 . . . . 0.0 112.381 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -138.6 71.18 44.55 Favored Pre-proline 0 N--CA 1.481 1.109 0 C-N-CA 125.584 1.554 . . . . 0.0 111.395 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.74 144.48 53.83 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.788 2.992 . . . . 0.0 114.004 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -154.39 149.66 27.08 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.258 1.423 . . . . 0.0 110.678 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 p -136.03 168.44 19.36 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.019 1.728 . . . . 0.0 111.089 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.8 t -155.93 160.35 40.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.085 1.354 . . . . 0.0 111.092 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 126.166 1.786 . . . . 0.0 110.266 -179.804 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.171 0 C4'-C3'-C2' 99.527 -3.173 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C4'-C3'-C2' 99.48 -3.22 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 111.853 3.653 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.866 3.666 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 0 O4'-C1'-N19 112.004 3.804 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . 0.483 HO2' " C5'" ' B' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.408 1 O4'-C1'-N19 113.023 4.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . 0.483 " C5'" HO2' ' B' ' 6' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.542 2.453 0 O5'-C5'-C4' 115.452 3.751 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.958 0 C5'-C4'-C3' 110.697 -3.202 . 0.09 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.124 1 C5'-C4'-C3' 109.432 -4.045 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.577 1 C5'-C4'-C3' 109.296 -4.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 1 O4'-C1'-N19 112.26 4.06 . 0.3 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 1 O4'-C1'-N19 112.488 4.288 . 0.329 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . 0.422 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.537 2.053 0 C5'-C4'-O4' 114.378 3.698 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.422 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C4'-C3'-C2' 100.247 -2.453 . 0.301 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C5'-C4'-C3' 111.882 -2.412 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C5'-C4'-O4' 113.358 2.97 . 0.01 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C3'-C2'-C1' 104.614 3.46 . 0.249 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.561 2 C3'-C2'-C1' 105.624 4.582 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.593 0 O5'-C5'-C4' 114.67 3.193 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 O5'-C5'-C4' 115.334 3.667 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.196 2 C4'-C3'-C2' 97.705 -4.995 . 0.437 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.353 0 O4'-C1'-N19 112.077 3.877 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C5'-C4'-C3' 110.845 -3.103 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 1 C4'-C3'-C2' 97.945 -4.755 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 1 O4'-C1'-N19 112.504 4.304 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O4'-C1'-N19 111.13 2.93 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 98.751 -3.949 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.131 1 O4'-C1'-N19 112.383 4.183 . 0.635 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 110.709 2.509 . 0.618 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C3'-C2'-C1' 105.1 4.0 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 1 O4'-C1'-N19 112.463 4.263 . 0.456 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 112.036 3.836 OUTLIER-EPSILON 0.397 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 1 P-O3'-C3' 126.694 5.828 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . 0.428 ' C6 ' ' HE2' ' C' ' 142' ' ' LYS . . . . . . . . 0 C5'--C4' 1.541 2.383 1 O4'-C1'-N19 112.699 4.499 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.878 1 O4'-C1'-N19 112.302 4.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.428 0 C3'-C2'-C1' 103.855 2.617 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 3 O4'-C1'-N19 114.953 6.753 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 O4'-C1'-N19 111.522 3.322 . 0.143 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 O4'-C1'-N19 111.398 3.198 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C4'-C3'-C2' 98.716 -3.984 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 C4'-C3'-C2' 99.707 -2.993 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C4'-C3'-C2' 100.139 -2.561 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 100.545 -2.155 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.593 -3.107 . 0.417 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 P-O3'-C3' 122.954 2.712 . 0.561 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.368 -3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.5 1 C3'-C2'-C1' 105.412 4.347 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.401 0 P-O3'-C3' 123.453 3.127 . 0.018 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 1 C4'-C3'-C2' 98.295 -4.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.127 0 C4'-C3'-C2' 99.185 -3.515 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 0 C4'-C3'-C2' 99.64 -3.06 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 0 C5'-C4'-O4' 113.484 3.06 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 113.465 5.265 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 O4'-C1'-N19 111.989 3.789 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.32 1 O4'-C1'-N19 113.321 5.121 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.781 -2.919 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 O4'-C4'-C3' 108.738 2.313 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.035 1 O4'-C1'-N19 112.233 4.033 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 O4'-C1'-N19 111.698 3.498 . 0.056 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.535 2 O4'-C1'-N19 112.586 4.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 0 C4'-C3'-C2' 99.681 -3.019 . 0.204 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 C4'-C3'-C2' 99.029 -3.671 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.004 0 O4'-C1'-N19 111.143 2.943 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 99.507 -3.193 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.618 0 P-O3'-C3' 122.174 2.062 . 0.049 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 N19-C1'-C2' 116.453 1.908 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.005 0 C4'-C3'-C2' 99.301 -3.399 . 0.229 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 C4'-C3'-C2' 99.487 -3.213 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 C4'-C3'-C2' 99.582 -3.118 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.93 3.73 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 O4'-C1'-N19 111.804 3.604 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.464 0.173 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 43.1 p -124.28 2.33 8.48 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.171 1.389 . . . . 0.0 114.132 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.43 150.68 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.718 1.607 . . . . 0.0 110.586 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.95 15.25 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 125.383 1.473 . . . . 0.0 113.523 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 86.7 p -145.77 -178.56 6.17 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.379 1.872 . . . . 0.0 112.003 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -161.69 175.16 38.27 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.16 0.886 . . . . 0.0 113.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -142.03 173.01 11.91 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.216 1.807 . . . . 0.0 111.084 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -133.64 159.23 41.11 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.564 1.546 . . . . 0.0 112.233 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -136.23 44.54 2.42 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.671 1.588 . . . . 0.0 112.056 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -53.52 145.96 13.81 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.103 1.361 . . . . 0.0 113.035 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -131.23 160.14 35.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.358 1.463 . . . . 0.0 112.739 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -55.77 137.58 49.57 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.422 1.489 . . . . 0.0 113.015 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.27 -168.91 25.61 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.937 1.732 . . . . 0.0 112.377 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 171.64 -7.65 0.04 OUTLIER Glycine 0 CA--C 1.533 1.175 0 N-CA-C 116.938 1.535 . . . . 0.0 116.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -85.39 154.44 21.85 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.497 2.149 . . . . 0.0 110.966 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -137.74 163.45 31.3 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.513 1.525 . . . . 0.0 111.769 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 16.6 ttt85 64.78 175.42 0.2 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.533 1.933 . . . . 0.0 112.747 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -122.73 22.47 9.77 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.284 1.434 . . . . 0.0 113.646 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 10.4 m -47.05 -21.5 0.24 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 128.096 2.558 . . . . 0.0 116.811 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -138.29 36.25 2.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.389 1.476 . . . . 0.0 111.641 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 15.7 mt -138.7 164.98 28.13 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -148.68 156.93 43.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 130.321 3.448 . . . . 0.0 105.914 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -63.74 -6.59 5.85 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.018 -1.676 . . . . 0.0 115.468 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -119.03 9.95 12.0 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.913 1.685 . . . . 0.0 112.888 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -107.92 131.44 54.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.307 1.043 . . . . 0.0 112.408 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -57.76 128.88 39.32 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.355 -1.466 . . . . 0.0 113.79 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.28 -22.27 66.77 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -94.36 -74.5 0.54 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.01 1.324 . . . . 0.0 114.056 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.72 -10.53 58.86 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -175.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm 72.14 13.0 5.85 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.838 2.055 . . . . 0.0 114.875 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.61 149.86 49.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.963 1.256 . . . . 0.0 110.357 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -105.89 118.54 36.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.745 1.157 . . . . 0.0 110.627 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.4 -14.07 1.83 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.102 1.81 . . . . 0.0 114.527 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -152.95 172.85 16.17 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 112.665 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -109.75 157.23 19.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.463 1.905 . . . . 0.0 111.122 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.07 -35.75 11.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.54 1.536 . . . . 0.0 114.235 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -51.19 -24.8 4.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.687 1.995 . . . . 0.0 114.015 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -129.87 17.32 5.7 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.52 1.928 . . . . 0.0 113.199 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 38.3 t -56.16 130.16 74.15 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.09 -17.49 28.14 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.863 2.375 . . . . 0.0 112.758 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -82.01 3.03 28.21 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.399 1.08 . . . . 0.0 111.992 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 142' ' ' LYS . . . . . 0.428 ' HE2' ' C6 ' ' B' ' 35' ' ' ' G' . 28.6 mtpp -116.72 63.5 2.93 Favored Pre-proline 0 N--CA 1.481 1.116 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.66 -45.88 0.14 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 123.138 2.559 . . . . 0.0 112.363 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -161.43 29.49 0.13 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.426 2.29 . . . . 0.0 112.805 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 139.12 -155.4 23.89 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 128.572 2.986 . . . . 0.0 106.975 -172.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -103.8 -6.01 9.13 Favored 'Cis proline' 0 CA--C 1.544 1.022 0 CA-C-N 121.678 2.739 . . . . 0.0 112.206 23.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -145.0 161.22 39.93 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.129 1.771 . . . . 0.0 112.565 -175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.39 175.77 42.23 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.701 1.62 . . . . 0.0 111.534 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.04 151.61 85.19 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 122.817 2.344 . . . . 0.0 111.228 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 42.43 73.4 0.93 Allowed Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 127.136 2.175 . . . . 0.0 114.013 -178.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.07 156.88 11.93 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.875 3.05 . . . . 0.0 113.816 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -147.85 21.37 1.13 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 40.5 p -65.36 154.48 38.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.441 1.096 . . . . 0.0 113.306 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 60.8 p -71.35 -8.09 51.47 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 45.7 tp -59.94 -27.05 66.45 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.528 1.531 . . . . 0.0 114.095 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 125.59 1.556 . . . . 0.0 111.285 -179.264 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.188 0.042 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.03 13.72 3.93 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.443 1.097 . . . . 0.0 113.304 -177.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.3 t 48.27 26.57 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 127.496 2.318 . . . . 0.0 114.323 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.8 t 55.06 31.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.939 1.695 . . . . 0.0 112.272 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -130.68 18.85 5.17 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.914 1.686 . . . . 0.0 113.589 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.06 174.7 42.96 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.219 -0.925 . . . . 0.0 113.975 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -142.44 173.57 11.41 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.359 1.863 . . . . 0.0 111.144 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -140.4 140.09 35.41 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.602 1.561 . . . . 0.0 110.509 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -145.17 17.11 1.55 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -143.8 167.42 22.35 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.897 1.279 . . . . 0.0 112.852 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 177.21 10.11 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.25 1.82 . . . . 0.0 111.858 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -124.23 162.4 23.76 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.33 1.452 . . . . 0.0 112.166 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.8 -161.5 30.24 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.19 1.376 . . . . 0.0 112.764 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.42 168.23 32.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.853 1.216 . . . . 0.0 113.146 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.66 14.1 4.05 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.752 1.221 . . . . 0.0 113.879 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.9 144.55 38.67 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.49 1.116 . . . . 0.0 112.199 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -123.95 168.27 13.03 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.738 2.015 . . . . 0.0 109.432 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtm-85 -134.86 143.13 46.82 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.703 0.801 . . . . 0.0 112.341 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.5 m -118.9 47.48 1.65 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.811 1.644 . . . . 0.0 109.428 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 63.37 179.27 0.15 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.889 2.076 . . . . 0.0 111.321 -174.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mt -165.08 166.52 19.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.592 1.557 . . . . 0.0 110.663 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 24' ' ' ASP . 42.7 t0 -151.99 158.24 42.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.637 1.575 . . . . 0.0 109.552 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.48 14.27 0.14 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 126.165 1.786 . . . . 0.0 113.867 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 22' ' ' ASP . 29.0 t70 -134.8 18.16 3.53 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 128.183 2.593 . . . . 0.0 111.465 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -133.29 145.07 50.13 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.816 1.246 . . . . 0.0 112.226 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.5 t -74.81 130.48 39.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.655 1.582 . . . . 0.0 113.358 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.72 -13.81 60.65 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -93.31 -71.02 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.665 1.12 . . . . 0.0 112.178 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -88.24 -5.78 58.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt 74.31 3.03 4.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.872 2.469 . . . . 0.0 114.438 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.94 150.67 48.26 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.469 1.031 . . . . 0.0 113.141 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.01 146.61 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.089 1.756 . . . . 0.0 110.864 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.51 -6.69 45.59 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.304 1.431 . . . . 0.0 115.215 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -151.87 -179.47 7.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 111.821 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -124.32 164.33 19.83 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.506 1.923 . . . . 0.0 110.038 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.17 -33.84 9.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.763 0.825 . . . . 0.0 113.169 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -45.3 -35.81 3.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.442 2.297 . . . . 0.0 113.564 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -123.93 15.08 9.27 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.28 1.832 . . . . 0.0 113.477 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 t -56.27 120.52 35.78 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.49 -20.67 42.04 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.392 2.728 . . . . 0.0 114.483 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -102.62 -18.17 15.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.577 1.551 . . . . 0.0 114.253 -177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -75.31 135.19 72.94 Favored Pre-proline 0 N--CA 1.479 0.976 0 CA-C-N 119.796 1.18 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.15 145.56 33.96 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.401 2.734 . . . . 0.0 112.933 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -116.41 171.08 8.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.096 1.359 . . . . 0.0 111.665 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.98 -179.46 43.69 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 124.344 0.973 . . . . 0.0 113.691 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -83.77 167.04 62.43 Favored 'Cis proline' 0 CA--C 1.543 0.931 0 CA-C-N 118.107 0.954 . . . . 0.0 113.266 27.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -147.54 164.74 32.47 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.694 1.598 . . . . 0.0 112.326 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.37 -171.23 44.36 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.117 1.341 . . . . 0.0 112.837 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.4 156.22 66.3 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.327 2.685 . . . . 0.0 112.07 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -139.79 154.29 70.74 Favored Pre-proline 0 N--CA 1.479 1.009 0 C-N-CA 125.669 1.587 . . . . 0.0 111.692 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.03 -16.46 25.55 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.315 2.677 . . . . 0.0 114.215 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 58.76 20.31 7.76 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.323 1.849 . . . . 0.0 114.508 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.6 p -143.08 175.06 10.14 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.807 2.043 . . . . 0.0 110.775 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -63.45 -15.03 56.52 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 127.882 2.473 . . . . 0.0 113.459 179.223 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 99.589 -3.111 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.797 -2.903 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 O4'-C1'-N19 111.554 3.354 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.194 -3.506 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 O4'-C1'-N19 111.526 3.326 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 0 C4'-C3'-C2' 99.98 -2.72 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.839 3 C5'-C4'-C3' 108.165 -4.89 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O3'-P-O5' 99.177 -2.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.903 1 O4'-C1'-N19 113.06 4.86 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.588 0 C5'-C4'-C3' 109.669 -3.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C4'-C3'-C2' 99.22 -3.48 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 O4'-C1'-N19 111.985 3.785 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.166 0 C5'-C4'-O4' 113.513 3.081 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.402 ' N6 ' ' C2 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 112.124 3.924 . 0.395 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.729 0 O5'-C5'-C4' 114.599 3.142 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 110.751 -3.166 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C3'-C2'-C1' 104.623 3.47 . 0.317 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.39 1 C3'-C2'-C1' 106.631 5.701 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.682 0 N19-C1'-C2' 118.388 3.118 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.402 ' C2 ' ' N6 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 P--O3' 1.647 3.307 0 P-O3'-C3' 123.832 3.443 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 C4'-C3'-C2' 98.717 -3.983 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.377 3.177 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 C5'-C4'-C3' 111.238 -2.841 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 C4'-C3'-C2' 97.576 -5.124 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.514 0 O4'-C1'-N19 112.091 3.891 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C4'-C3'-C2' 99.97 -2.73 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 1 C4'-C3'-C2' 98.292 -4.408 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.112 1 O4'-C1'-N19 112.264 4.064 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C5'-C4'-O4' 113.175 2.839 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C3'-C2'-C1' 104.033 2.815 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 2 O4'-C1'-N19 112.718 4.518 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 112.036 3.836 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 C4'-C3'-C2' 99.329 -3.371 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O5'-C5'-C4' 115.022 3.445 . 0.012 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 111.959 3.759 . 0.295 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ' G' . . . . . 0.448 HO2' ' P ' ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C4'-C3'-O3' 116.512 2.274 OUTLIER-EPSILON 0.09 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ' U' . . . . . 0.448 ' P ' HO2' ' B' ' 37' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.367 3 P-O3'-C3' 125.578 4.898 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.013 0 O4'-C1'-N19 111.748 3.548 . 0.185 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 1 O4'-C1'-N19 112.652 4.452 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C5'-C4'-O4' 113.334 2.953 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C4'-C3'-C2' 98.767 -3.933 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.078 0 O4'-C1'-N19 112.128 3.928 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 C4'-C3'-C2' 100.126 -2.574 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.188 -3.512 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 100.492 -2.208 . 0.401 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.868 3.668 . 0.293 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 1 O4'-C1'-N19 112.327 4.127 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 0 O4'-C1'-N19 111.738 3.538 . 0.447 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 O4'-C1'-N19 112.011 3.811 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 99.681 -3.019 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 0 C4'-C3'-C2' 99.78 -2.92 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C5'-C4'-O4' 113.416 3.011 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 O4'-C1'-N19 111.77 3.57 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.334 -3.366 . 0.404 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.337 3 P-O3'-C3' 125.835 5.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C5'-C4'-O4' 113.861 3.329 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.603 1 O4'-C1'-N19 115.074 6.874 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.663 0 O5'-C5'-C4' 114.732 3.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.413 1 C4'-C3'-O3' 121.417 4.16 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 1 P-O3'-C3' 126.077 5.314 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.655 -3.045 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 O4'-C1'-N19 111.548 3.348 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.95 -2.75 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 110.767 2.567 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.474 0 O5'-C5'-C4' 113.527 2.376 . 0.186 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.364 0 C3'-C2'-C1' 104.826 3.695 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.299 -3.401 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 99.5 -3.2 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 C4'-C3'-C2' 99.808 -2.892 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C4'-C3'-C2' 99.395 -3.305 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 O4'-C1'-N19 111.62 3.42 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.282 0.104 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 52.0 p 47.38 42.73 14.53 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.969 1.707 . . . . 0.0 114.32 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.73 164.93 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.506 1.523 . . . . 0.0 113.202 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.31 165.0 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.817 1.647 . . . . 0.0 111.852 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 8.1 t -64.92 162.14 17.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.412 1.085 . . . . 0.0 113.205 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -172.82 179.44 44.29 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.471 1.51 . . . . 0.0 113.179 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -128.45 10.06 6.14 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.955 1.302 . . . . 0.0 113.918 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -147.98 145.01 28.38 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.663 1.585 . . . . 0.0 111.148 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -145.67 173.03 12.43 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.209 1.804 . . . . 0.0 111.309 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -137.75 164.0 29.97 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.998 1.719 . . . . 0.0 111.189 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -137.39 37.43 2.49 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.272 1.829 . . . . 0.0 111.464 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -143.71 123.68 13.56 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.103 1.761 . . . . 0.0 109.984 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 170.11 161.72 21.11 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 123.529 0.585 . . . . 0.0 114.253 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.36 144.75 3.99 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.618 1.58 . . . . 0.0 113.764 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -100.34 -4.86 28.29 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.018 1.327 . . . . 0.0 112.628 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -64.8 156.78 29.58 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.949 -1.094 . . . . 0.0 111.409 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 84.76 -22.03 0.22 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 129.239 3.016 . . . . 0.0 113.722 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -61.98 -26.1 68.02 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.208 1.003 . . . . 0.0 112.119 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 7.0 m -52.83 -14.45 0.56 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.833 2.453 . . . . 0.0 115.546 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -120.06 30.08 7.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.82 1.648 . . . . 0.0 113.103 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 63.5 mt -125.47 159.22 32.5 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.08 1.352 . . . . 0.0 113.486 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -144.89 158.44 43.8 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.539 3.136 . . . . 0.0 105.83 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -72.92 12.29 0.55 Allowed 'General case' 0 N--CA 1.484 1.275 0 O-C-N 119.953 -1.717 . . . . 0.0 115.363 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -116.48 8.1 13.94 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.403 1.881 . . . . 0.0 111.521 172.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -116.31 163.75 15.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.986 1.314 . . . . 0.0 113.769 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 34.8 t -86.85 126.41 34.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 112.869 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.54 -23.24 64.43 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.8 -76.84 0.22 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.777 1.171 . . . . 0.0 111.638 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 2.5 p -91.84 -4.1 55.25 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm 70.2 5.53 5.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 114.747 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.77 148.68 19.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.096 1.316 . . . . 0.0 110.652 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.83 120.71 40.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.678 1.191 . . . . 0.0 110.274 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 137.17 -14.7 3.75 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.61 1.576 . . . . 0.0 115.272 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -150.25 172.49 15.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.413 1.485 . . . . 0.0 111.886 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -112.09 163.65 14.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.005 1.722 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.85 -38.52 35.5 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.03 -18.4 9.41 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.48 1.512 . . . . 0.0 114.266 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -125.91 12.93 7.88 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.642 1.977 . . . . 0.0 113.187 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 43.2 t -54.3 122.25 36.1 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.063 0.945 . . . . 0.0 113.536 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.96 -10.37 24.6 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.125 2.55 . . . . 0.0 112.775 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -101.16 -3.02 29.91 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.842 1.657 . . . . 0.0 112.372 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.69 123.2 56.4 Favored Pre-proline 0 N--CA 1.477 0.923 0 CA-C-N 119.42 1.009 . . . . 0.0 110.669 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.89 163.48 36.9 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.267 2.645 . . . . 0.0 113.301 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -71.21 164.01 26.51 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.848 1.259 . . . . 0.0 111.346 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.44 176.04 44.15 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-O 119.274 -0.737 . . . . 0.0 114.485 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.3 157.98 86.72 Favored 'Cis proline' 0 CA--C 1.541 0.848 0 C-N-CA 125.154 -0.769 . . . . 0.0 113.011 27.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -146.82 154.06 40.9 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.589 1.556 . . . . 0.0 111.136 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -175.79 -173.14 41.24 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 125.19 1.376 . . . . 0.0 112.697 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.42 167.17 23.13 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.676 2.917 . . . . 0.0 112.516 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -134.74 74.77 63.9 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 124.934 1.294 . . . . 0.0 111.731 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.39 -17.87 16.26 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.663 2.909 . . . . 0.0 113.864 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -152.05 158.96 43.75 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.114 1.766 . . . . 0.0 110.881 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 6.9 t -154.05 171.4 19.14 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.577 1.151 . . . . 0.0 111.884 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 66.3 m -141.54 147.5 37.83 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.807 1.643 . . . . 0.0 111.538 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.62 -15.48 61.73 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.562 1.145 . . . . 0.0 113.543 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 126.154 1.782 . . . . 0.0 110.514 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.37 124.62 32.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.387 1.475 . . . . 0.0 113.614 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.02 -19.5 64.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -87.23 -38.67 16.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.77 -4.61 7.02 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 -177.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 73.02 1.72 4.13 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 127.981 2.513 . . . . 0.0 115.579 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.18 162.89 16.2 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.376 0.989 . . . . 0.0 112.151 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -110.48 144.42 39.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.465 1.506 . . . . 0.0 111.741 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.26 -7.81 32.71 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.536 1.541 . . . . 0.0 114.736 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -152.43 177.03 11.04 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.716 1.606 . . . . 0.0 111.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -119.62 167.7 11.75 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.605 1.962 . . . . 0.0 109.714 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.64 -36.38 24.41 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -55.26 -17.33 4.4 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.899 2.079 . . . . 0.0 114.549 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -132.35 14.38 4.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.937 2.095 . . . . 0.0 112.432 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t . . . . . 0 CA--C 1.555 1.158 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -177.603 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.53 128.47 35.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.555 1.542 . . . . 0.0 114.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.02 -19.45 60.05 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 121.421 -0.799 . . . . 0.0 112.936 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -79.81 -34.54 39.47 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -137.11 -4.37 1.92 Allowed 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 76.54 -3.05 2.6 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 127.727 2.411 . . . . 0.0 115.626 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.44 154.09 39.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.799 1.182 . . . . 0.0 112.674 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -102.92 141.34 35.89 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.103 1.361 . . . . 0.0 111.775 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.12 -7.03 21.42 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 126.279 1.895 . . . . 0.0 114.949 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -154.94 177.53 11.2 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.96 1.304 . . . . 0.0 112.898 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -115.09 165.46 12.88 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.321 2.248 . . . . 0.0 109.332 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.43 53.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.209 1.004 . . . . 0.0 112.913 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.83 -14.55 9.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.968 1.707 . . . . 0.0 114.411 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.25 12.61 5.56 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.189 2.196 . . . . 0.0 111.992 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.08 131.7 89.66 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 123.66 0.784 . . . . 0.0 111.334 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--N 1.352 0.761 0 C-N-CA 122.92 2.413 . . . . 0.0 113.163 179.527 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.7 t -85.73 127.37 34.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.317 1.847 . . . . 0.0 112.413 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.84 66.93 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -83.75 -57.09 3.36 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 p -102.21 -7.5 22.11 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 70.05 10.02 7.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.04 172.23 10.44 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.949 0.9 . . . . 0.0 110.924 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -111.2 164.66 12.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 114.026 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.55 -1.6 88.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.627 1.584 . . . . 0.0 115.582 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -155.35 172.44 18.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.323 1.449 . . . . 0.0 111.956 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -113.25 166.18 11.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.597 1.959 . . . . 0.0 109.834 176.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.29 -32.95 18.33 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -52.92 -24.03 8.4 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.66 1.984 . . . . 0.0 114.255 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.49 16.0 7.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.584 1.953 . . . . 0.0 112.874 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 CA--C 1.555 1.165 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -176.862 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 CA--C 1.552 1.033 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 14.0 t -105.31 129.56 53.63 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.305 1.842 . . . . 0.0 109.844 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.77 74.37 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.49 -36.04 29.73 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.48 -6.34 7.0 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.25 32.0 mmtp 73.47 3.92 4.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.943 2.097 . . . . 0.0 115.534 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.0 177.96 2.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.401 1.08 . . . . 0.0 110.68 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -130.96 161.05 32.76 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.315 1.046 . . . . 0.0 113.589 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.68 -4.66 59.7 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.582 1.563 . . . . 0.0 113.56 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -154.72 168.59 26.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.107 2.163 . . . . 0.0 110.43 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -109.17 166.86 10.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.489 1.516 . . . . 0.0 110.355 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.65 23.32 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.22 -20.92 12.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.36 2.264 . . . . 0.0 113.537 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.27 16.68 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.998 2.119 . . . . 0.0 113.026 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.2 122.11 28.27 Favored Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo . . . . . 0 C--N 1.356 0.954 0 C-N-CA 122.923 2.416 . . . . 0.0 113.406 -178.357 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.8 t -77.16 131.23 38.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.652 1.581 . . . . 0.0 113.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.3 -8.48 56.39 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -106.91 -25.91 11.44 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.551 1.685 . . . . 0.0 115.551 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.01 -3.34 2.5 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 69.72 2.6 3.89 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.144 2.178 . . . . 0.0 115.189 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.76 154.55 29.29 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.672 1.124 . . . . 0.0 111.644 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -87.81 160.48 18.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.521 1.528 . . . . 0.0 113.504 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.73 0.75 56.41 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.136 1.614 . . . . 0.0 117.136 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -148.07 171.56 15.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.257 1.529 . . . . 0.0 112.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -120.79 163.48 18.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.261 1.824 . . . . 0.0 111.328 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.53 -37.86 18.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.773 1.229 . . . . 0.0 112.547 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -52.63 -22.25 4.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.649 1.98 . . . . 0.0 114.417 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -129.03 12.76 6.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.7 2.0 . . . . 0.0 113.29 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 CA--C 1.552 1.034 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -176.413 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 43.0 t -74.93 130.96 40.29 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.354 -1.467 . . . . 0.0 112.19 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.76 -17.8 61.6 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -106.67 -70.54 0.79 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -82.72 -9.34 59.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.257 1.39 . . . . 0.0 114.56 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mttp 70.99 7.95 6.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.583 2.353 . . . . 0.0 115.359 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.33 166.43 16.58 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.284 0.947 . . . . 0.0 111.094 172.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -108.12 159.39 16.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 93.15 -3.79 73.46 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.604 1.573 . . . . 0.0 115.283 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -154.0 170.17 21.73 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.221 1.408 . . . . 0.0 112.077 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -109.59 163.41 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.516 1.926 . . . . 0.0 109.962 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.66 -35.39 60.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.18 -8.0 7.11 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.919 1.288 . . . . 0.0 114.055 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.71 10.81 5.16 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.711 2.404 . . . . 0.0 111.931 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.5 t -59.27 129.51 86.6 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 124.755 1.222 . . . . 0.0 113.447 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.354 0.862 0 C-N-CA 123.378 2.718 . . . . 0.0 113.391 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.74 143.59 26.38 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.525 1.13 . . . . 0.0 113.222 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.0 -1.71 48.4 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.97 1.308 . . . . 0.0 113.486 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -110.0 -28.72 8.57 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -132.34 -4.05 3.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 176.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 71.96 5.4 5.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.463 2.305 . . . . 0.0 115.69 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.19 -179.3 1.53 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.647 1.179 . . . . 0.0 112.814 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.65 160.2 23.76 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.247 1.419 . . . . 0.0 113.036 -178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.33 -2.5 87.77 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.345 1.45 . . . . 0.0 116.065 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -152.65 174.48 13.93 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.144 1.378 . . . . 0.0 111.659 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -120.34 168.45 11.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.514 1.925 . . . . 0.0 110.712 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.41 -41.0 8.76 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.968 1.707 . . . . 0.0 112.792 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -52.89 -20.1 3.06 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.479 2.312 . . . . 0.0 114.681 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.25 13.23 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.241 2.216 . . . . 0.0 112.277 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 CA--C 1.553 1.087 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -175.784 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 42.9 t -82.52 131.43 35.21 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.277 1.431 . . . . 0.0 114.628 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.94 6.51 15.73 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -117.31 -33.71 4.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.268 1.427 . . . . 0.0 114.191 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.36 -3.13 3.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 76.48 -6.3 2.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.028 2.531 . . . . 0.0 115.134 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.88 164.14 10.74 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.963 1.256 . . . . 0.0 112.479 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -115.63 157.19 24.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.66 1.184 . . . . 0.0 113.243 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.92 -3.9 58.89 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.884 1.707 . . . . 0.0 113.875 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -155.6 173.56 16.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.76 1.624 . . . . 0.0 112.39 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -113.93 161.07 18.1 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.895 2.078 . . . . 0.0 110.229 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.27 -39.66 45.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.786 1.234 . . . . 0.0 113.778 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -54.55 -22.14 12.28 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.614 1.566 . . . . 0.0 113.93 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.56 14.55 6.53 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.895 2.078 . . . . 0.0 112.671 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.2 t -57.11 135.32 80.61 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.837 1.255 . . . . 0.0 113.807 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo . . . . . 0 CA--C 1.541 0.866 0 C-N-CA 123.019 2.479 . . . . 0.0 113.386 174.155 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.06 134.1 35.32 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.442 1.497 . . . . 0.0 112.825 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.65 -27.74 66.27 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -87.38 -69.0 0.71 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 p -89.93 -6.88 55.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 72.52 4.62 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.293 2.237 . . . . 0.0 115.23 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -66.76 168.73 9.05 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.208 0.913 . . . . 0.0 112.086 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -108.65 163.49 13.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.39 1.476 . . . . 0.0 113.043 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.3 -3.57 85.87 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.313 1.435 . . . . 0.0 115.551 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -153.91 171.96 18.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.992 1.317 . . . . 0.0 112.194 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -116.54 163.54 15.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.86 2.064 . . . . 0.0 110.432 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.97 -35.41 15.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.129 1.372 . . . . 0.0 113.006 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.04 -22.94 2.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.241 1.817 . . . . 0.0 114.038 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -131.42 15.51 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.023 2.129 . . . . 0.0 113.324 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.553 1.071 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -176.396 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 119.81 -0.138 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.28 121.27 18.16 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.046 -1.659 . . . . 0.0 111.403 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.4 -15.76 62.88 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.529 -0.732 . . . . 0.0 112.68 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.87 -36.7 12.1 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.28 -6.94 7.05 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.292 80.2 mttt 73.65 7.9 5.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.351 2.261 . . . . 0.0 115.664 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -70.24 175.38 4.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.585 0.754 . . . . 0.0 110.644 171.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 143.04 51.23 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.913 -1.117 . . . . 0.0 112.1 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 111.99 -2.63 27.12 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.446 1.974 . . . . 0.0 114.435 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -156.0 -179.67 8.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.982 1.313 . . . . 0.0 113.234 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -120.94 167.3 12.71 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.528 2.331 . . . . 0.0 109.945 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.72 -38.86 16.17 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.603 1.161 . . . . 0.0 113.007 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -52.57 -22.43 4.96 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.977 2.111 . . . . 0.0 114.524 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.97 8.41 5.22 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.562 1.945 . . . . 0.0 112.865 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 36.8 t -54.12 124.57 46.26 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.238 1.415 . . . . 0.0 113.505 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 CA--C 1.54 0.822 0 C-N-CA 123.083 2.522 . . . . 0.0 113.034 179.184 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -73.15 128.62 36.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.336 1.454 . . . . 0.0 112.008 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.82 -13.86 62.48 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -106.43 -33.99 7.55 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.93 -2.72 9.71 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 72.67 -5.99 1.73 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.722 2.409 . . . . 0.0 114.55 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.62 163.12 9.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.664 1.12 . . . . 0.0 112.398 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 156.73 19.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.104 1.361 . . . . 0.0 113.5 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.01 -4.41 65.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.334 1.445 . . . . 0.0 114.799 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.92 170.8 20.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.295 1.438 . . . . 0.0 111.994 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -113.23 163.48 14.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.487 1.915 . . . . 0.0 109.792 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.36 -34.28 15.6 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -53.94 -24.26 15.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.024 1.73 . . . . 0.0 114.147 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -125.56 16.01 8.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.602 1.961 . . . . 0.0 112.705 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.554 1.121 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.139 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 120.621 0.248 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.4 t -73.61 127.62 33.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.838 1.255 . . . . 0.0 112.843 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.75 8.47 14.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -114.31 -35.03 5.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 114.021 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.38 -5.92 5.35 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 80.7 mttt 78.38 -5.59 2.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.401 2.681 . . . . 0.0 115.801 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -65.55 159.86 23.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.03 1.286 . . . . 0.0 112.37 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -114.42 146.54 40.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.566 1.146 . . . . 0.0 112.034 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 112.9 -3.21 25.78 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.672 2.082 . . . . 0.0 113.622 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -157.43 -179.89 8.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.067 1.747 . . . . 0.0 111.998 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -120.29 166.8 13.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.077 2.151 . . . . 0.0 109.51 176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.1 21.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.482 1.113 . . . . 0.0 112.413 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -49.11 -29.09 4.82 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.798 2.439 . . . . 0.0 113.996 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -129.35 18.03 5.92 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.195 2.198 . . . . 0.0 112.812 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 40.1 t -57.65 128.03 79.17 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo . . . . . 0 CA--C 1.541 0.846 0 C-N-CA 122.72 2.28 . . . . 0.0 112.552 177.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.208 0.527 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.48 126.82 30.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.648 1.579 . . . . 0.0 114.369 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.84 -15.98 63.19 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.053 -1.03 . . . . 0.0 113.439 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -93.68 -62.18 1.41 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.37 -10.21 24.11 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.273 12.0 mptt 72.51 6.82 5.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.832 2.453 . . . . 0.0 115.236 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.11 165.22 22.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.516 1.053 . . . . 0.0 111.266 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -103.06 162.32 13.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.953 1.301 . . . . 0.0 113.89 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.42 0.21 73.57 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 126.116 1.817 . . . . 0.0 115.106 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -158.97 177.49 11.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.242 1.417 . . . . 0.0 112.514 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -114.85 166.14 12.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.997 2.119 . . . . 0.0 109.372 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.84 39.24 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.5 0.72 . . . . 0.0 112.867 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -51.28 -25.94 6.56 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.982 2.113 . . . . 0.0 114.267 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -128.24 18.15 6.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.838 1.655 . . . . 0.0 113.322 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 CA--C 1.556 1.182 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -178.485 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.76 126.82 52.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.244 1.818 . . . . 0.0 110.499 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.12 -2.67 19.43 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -109.78 -40.05 4.92 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.91 1.232 . . . . 0.0 114.305 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.9 -4.28 9.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 84.0 mttt 72.97 2.01 4.23 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.945 2.098 . . . . 0.0 115.129 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.29 176.68 1.7 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.362 0.983 . . . . 0.0 111.091 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -124.65 157.74 34.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.991 1.317 . . . . 0.0 113.001 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.42 66.86 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.752 1.644 . . . . 0.0 114.628 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -154.92 165.1 37.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.165 1.786 . . . . 0.0 111.002 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -106.3 169.08 8.72 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.701 1.6 . . . . 0.0 110.751 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.61 -41.0 54.36 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.026 0.93 . . . . 0.0 112.926 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -58.0 -13.89 5.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.197 1.799 . . . . 0.0 114.623 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.41 11.69 4.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.929 2.092 . . . . 0.0 112.173 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 33.7 t -56.94 124.06 62.78 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 124.612 1.165 . . . . 0.0 112.758 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo . . . . . 0 C--N 1.353 0.789 0 C-N-CA 123.214 2.609 . . . . 0.0 113.289 -179.146 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -98.46 131.5 44.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.503 1.521 . . . . 0.0 111.579 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.59 -10.33 59.44 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.27 -32.58 6.23 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.372 2.36 . . . . 0.0 117.372 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 -2.66 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER 76.43 -3.49 2.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 128.613 2.765 . . . . 0.0 115.425 178.523 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.25 173.14 2.11 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.31 163.5 18.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.247 2.219 . . . . 0.0 111.826 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.94 -6.68 65.58 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.647 1.118 . . . . 0.0 114.894 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -149.59 169.34 21.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.947 1.699 . . . . 0.0 110.782 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -120.44 166.66 13.27 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.776 1.63 . . . . 0.0 110.201 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -45.81 -37.64 6.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.505 1.122 . . . . 0.0 113.919 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -56.36 -22.55 31.84 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.907 1.683 . . . . 0.0 115.074 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.49 10.78 9.19 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.615 1.966 . . . . 0.0 112.166 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 36' ' ' ALA . 50.0 t . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 124.712 1.205 . . . . 0.0 113.411 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.46 129.86 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.476 -1.39 . . . . 0.0 113.383 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.95 -27.29 60.13 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.513 -0.742 . . . . 0.0 112.525 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -78.27 -39.04 41.26 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.0 -5.16 6.23 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.256 70.6 mmtt 71.18 5.2 5.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.038 2.135 . . . . 0.0 115.666 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.08 141.1 54.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.064 1.302 . . . . 0.0 111.289 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -87.5 143.05 27.41 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.436 1.094 . . . . 0.0 111.679 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 110.11 -8.3 31.18 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.332 1.444 . . . . 0.0 116.505 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -151.22 178.4 9.28 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.232 1.516 . . . . 0.0 112.87 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -118.5 156.54 28.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.849 2.06 . . . . 0.0 110.909 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 136' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' C' ' 139' ' ' CYS . . . -50.24 -39.35 44.52 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.849 1.66 . . . . 0.0 113.122 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.18 -22.36 6.44 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.699 1.6 . . . . 0.0 113.506 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -131.82 15.93 4.78 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.03 2.132 . . . . 0.0 113.112 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 139' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' C' ' 136' ' ' ALA . 31.5 t -56.37 132.39 76.21 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.788 1.235 . . . . 0.0 113.801 -177.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo . . . . . 0 CA--C 1.542 0.914 0 C-N-CA 123.254 2.636 . . . . 0.0 112.515 177.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.921 0.391 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.87 131.17 44.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.382 1.473 . . . . 0.0 112.957 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.57 -13.35 60.35 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -100.92 -32.98 10.39 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.88 -3.94 8.12 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 72.01 -0.41 3.23 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.504 2.322 . . . . 0.0 115.073 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.57 159.26 30.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.476 1.035 . . . . 0.0 111.848 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -109.23 154.89 21.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.939 1.296 . . . . 0.0 112.109 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.23 56.9 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.484 1.516 . . . . 0.0 114.505 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -152.02 179.1 8.77 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.658 1.583 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -121.18 161.91 21.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.442 1.897 . . . . 0.0 109.726 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -33.68 22.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.235 1.014 . . . . 0.0 113.406 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -50.42 -29.5 10.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.365 1.866 . . . . 0.0 113.407 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -127.09 19.52 7.01 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.407 1.883 . . . . 0.0 112.977 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 -178.683 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -57.76 128.88 39.32 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.355 -1.466 . . . . 0.0 113.79 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.28 -22.27 66.77 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -94.36 -74.5 0.54 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.01 1.324 . . . . 0.0 114.056 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.72 -10.53 58.86 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -175.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm 72.14 13.0 5.85 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.838 2.055 . . . . 0.0 114.875 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.61 149.86 49.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.963 1.256 . . . . 0.0 110.357 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -105.89 118.54 36.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.745 1.157 . . . . 0.0 110.627 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.4 -14.07 1.83 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.102 1.81 . . . . 0.0 114.527 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -152.95 172.85 16.17 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 112.665 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -109.75 157.23 19.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.463 1.905 . . . . 0.0 111.122 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.07 -35.75 11.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.54 1.536 . . . . 0.0 114.235 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -51.19 -24.8 4.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.687 1.995 . . . . 0.0 114.015 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -129.87 17.32 5.7 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.52 1.928 . . . . 0.0 113.199 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 38.3 t -56.16 130.16 74.15 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--N 1.356 0.928 0 C-N-CA 122.863 2.375 . . . . 0.0 112.758 177.87 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.522 0.677 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.5 t -74.81 130.48 39.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.655 1.582 . . . . 0.0 113.358 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.72 -13.81 60.65 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -93.31 -71.02 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.665 1.12 . . . . 0.0 112.178 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -88.24 -5.78 58.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt 74.31 3.03 4.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.872 2.469 . . . . 0.0 114.438 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.94 150.67 48.26 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.469 1.031 . . . . 0.0 113.141 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.01 146.61 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.089 1.756 . . . . 0.0 110.864 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.51 -6.69 45.59 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.304 1.431 . . . . 0.0 115.215 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -151.87 -179.47 7.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 111.821 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -124.32 164.33 19.83 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.506 1.923 . . . . 0.0 110.038 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.17 -33.84 9.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.763 0.825 . . . . 0.0 113.169 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -45.3 -35.81 3.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.442 2.297 . . . . 0.0 113.564 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -123.93 15.08 9.27 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.28 1.832 . . . . 0.0 113.477 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 t . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.253 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 34.8 t -86.85 126.41 34.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 112.869 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.54 -23.24 64.43 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.8 -76.84 0.22 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.777 1.171 . . . . 0.0 111.638 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 2.5 p -91.84 -4.1 55.25 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm 70.2 5.53 5.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 114.747 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.77 148.68 19.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.096 1.316 . . . . 0.0 110.652 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.83 120.71 40.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.678 1.191 . . . . 0.0 110.274 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 137.17 -14.7 3.75 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.61 1.576 . . . . 0.0 115.272 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -150.25 172.49 15.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.413 1.485 . . . . 0.0 111.886 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -112.09 163.65 14.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.005 1.722 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.85 -38.52 35.5 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.03 -18.4 9.41 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.48 1.512 . . . . 0.0 114.266 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -125.91 12.93 7.88 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.642 1.977 . . . . 0.0 113.187 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 43.2 t -54.3 122.25 36.1 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.063 0.945 . . . . 0.0 113.536 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo . . . . . 0 C--N 1.355 0.901 0 C-N-CA 123.125 2.55 . . . . 0.0 112.775 -179.528 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.324 0.106 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.0 p -125.78 14.39 8.04 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.074 1.35 . . . . 0.0 113.83 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.3 t 56.34 20.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 126.976 2.11 . . . . 0.0 114.696 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -143.9 140.16 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.874 1.67 . . . . 0.0 109.667 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -147.84 163.69 35.98 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.556 1.542 . . . . 0.0 111.988 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.65 -166.31 35.4 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.789 1.185 . . . . 0.0 112.534 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -149.3 170.86 17.55 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.087 0.944 . . . . 0.0 113.211 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -142.9 148.34 36.79 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.46 2.704 . . . . 0.0 107.458 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' HG3' ' H ' ' A' ' 11' ' ' ARG . 5.6 pt20 -62.31 -6.99 3.64 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 52.8 17.2 0.8 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.797 2.039 . . . . 0.0 114.373 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' H ' ' HG3' ' A' ' 9' ' ' GLN . 36.0 mmm-85 52.19 18.2 0.84 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 128.991 2.916 . . . . 0.0 114.809 -177.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -51.95 -35.14 45.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.522 1.929 . . . . 0.0 112.8 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.94 38.16 1.98 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 126.182 1.849 . . . . 0.0 111.783 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.44 31.43 0.53 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.73 151.32 50.03 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.329 1.565 . . . . 0.0 112.518 176.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.46 -173.64 3.66 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.309 2.244 . . . . 0.0 113.77 -174.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -140.0 137.18 34.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.891 2.077 . . . . 0.0 109.518 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -147.52 144.76 28.76 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.971 1.708 . . . . 0.0 109.772 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.3 m -65.3 167.09 8.89 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.718 0.807 . . . . 0.0 112.796 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -50.82 120.62 4.96 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.505 1.122 . . . . 0.0 111.805 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.0 mt -146.66 166.73 25.68 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.925 1.69 . . . . 0.0 112.206 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -151.17 164.07 37.38 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.385 2.274 . . . . 0.0 107.737 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.75 13.44 0.37 Allowed 'General case' 0 N--CA 1.485 1.293 0 O-C-N 120.434 -1.416 . . . . 0.0 114.241 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -126.62 12.75 7.46 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.944 2.498 . . . . 0.0 111.398 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -125.84 155.0 41.84 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.108 1.363 . . . . 0.0 112.454 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.37 124.62 32.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.387 1.475 . . . . 0.0 113.614 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.02 -19.5 64.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -87.23 -38.67 16.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.77 -4.61 7.02 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 -177.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 73.02 1.72 4.13 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 127.981 2.513 . . . . 0.0 115.579 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.18 162.89 16.2 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.376 0.989 . . . . 0.0 112.151 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -110.48 144.42 39.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.465 1.506 . . . . 0.0 111.741 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.26 -7.81 32.71 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.536 1.541 . . . . 0.0 114.736 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -152.43 177.03 11.04 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.716 1.606 . . . . 0.0 111.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -119.62 167.7 11.75 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.605 1.962 . . . . 0.0 109.714 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.64 -36.38 24.41 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -55.26 -17.33 4.4 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.899 2.079 . . . . 0.0 114.549 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -132.35 14.38 4.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.937 2.095 . . . . 0.0 112.432 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t -57.28 125.72 71.92 Favored Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.14 -16.0 39.83 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.2 2.6 . . . . 0.0 113.229 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -69.45 -25.73 64.24 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.954 0.901 . . . . 0.0 111.816 176.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.49 152.02 91.78 Favored Pre-proline 0 N--CA 1.475 0.781 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.57 -6.08 18.37 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 124.072 3.182 . . . . 0.0 114.742 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.256 9.3 ptm180 45.65 32.99 1.3 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 127.99 2.516 . . . . 0.0 116.043 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.23 -177.68 43.38 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.752 1.644 . . . . 0.0 113.199 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -60.96 163.55 36.61 Favored 'Cis proline' 0 CA--C 1.544 1.003 0 C-N-CA 125.267 -0.722 . . . . 0.0 113.251 -28.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -155.1 166.65 32.93 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.736 1.615 . . . . 0.0 112.28 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.52 177.87 48.06 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.664 1.126 . . . . 0.0 113.743 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.22 164.12 36.82 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.022 3.148 . . . . 0.0 112.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -148.61 135.19 10.2 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 125.719 1.608 . . . . 0.0 110.344 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.24 -37.71 40.2 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.428 2.752 . . . . 0.0 114.613 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.02 -22.24 26.08 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.553 1.541 . . . . 0.0 114.31 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 47.2 p -128.1 4.18 5.86 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.586 1.555 . . . . 0.0 113.829 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.4 m -132.69 2.62 3.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.276 1.43 . . . . 0.0 114.776 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 125.57 1.548 . . . . 0.0 111.397 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 C4'-C3'-C2' 99.645 -3.055 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 C4'-C3'-C2' 99.623 -3.077 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 O4'-C1'-N19 111.652 3.452 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 O4'-C1'-N19 111.266 3.066 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 O4'-C1'-N19 111.229 3.029 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.349 0 C3'-C2'-C1' 104.322 3.136 OUTLIER-DELTA 0.26 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.375 1 O4'-C1'-N19 112.4 4.2 . 0.359 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C3'-C2'-C1' 104.048 2.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C5'-C4'-C3' 110.785 -3.143 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.593 1 O4'-C1'-N19 112.834 4.634 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 O4'-C1'-N19 112.329 4.129 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 O4'-C1'-N19 111.99 3.79 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.397 0 C5'-C4'-O4' 113.926 3.376 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 O4'-C1'-N19 112.036 3.836 . 0.35 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 O5'-C5'-C4' 115.003 3.431 . 0.173 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . 0.46 ' H21' ' CG1' ' C' ' 103' ' ' VAL . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 C5'-C4'-C3' 108.559 -4.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C3'-C2'-C1' 103.848 2.609 . 0.017 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.475 1 C3'-C2'-C1' 105.86 4.844 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.039 0 O4'-C1'-N19 111.086 2.886 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.47 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.388 2 O4'-C1'-N19 112.478 4.278 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.108 2 C4'-C3'-C2' 97.319 -5.381 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.278 1 O4'-C1'-N19 112.501 4.301 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.918 0 O4'-C1'-N19 110.87 2.67 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.821 2 O4'-C1'-N19 113.75 5.55 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.526 1 O4'-C1'-N19 112.497 4.297 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 111.568 3.368 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.291 3.091 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 C4'-C3'-C2' 99.575 -3.125 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 O4'-C4'-C3' 108.07 1.836 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C3'-C2'-C1' 104.842 3.714 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 O4'-C1'-N19 111.895 3.695 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 1 C3'-C2'-C1' 105.291 4.212 . 0.182 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . 0.459 " H2'" ' CE1' ' C' ' 128' ' ' TYR . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 P-O3'-C3' 124.467 3.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.839 0 O4'-C1'-N19 112.042 3.842 . 0.022 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.26 0 O4'-C1'-N19 112.135 3.935 . 0.081 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 N19-C1'-C2' 117.318 2.449 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.512 0 C4'-C3'-C2' 98.781 -3.919 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 O4'-C1'-N19 110.825 2.625 . 0.185 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C4'-C3'-C2' 100.033 -2.667 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 1 C4'-C3'-C2' 98.427 -4.273 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.233 0 C5'-C4'-O4' 113.02 2.729 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C4'-C3'-C2' 100.13 -2.57 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C4'-C3'-C2' 99.742 -2.958 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 C5'-C4'-O4' 113.721 3.229 . 0.376 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . 0.47 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C4'-C3' 109.167 2.619 . 0.399 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . 0.413 H5'' " H2'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.452 0 N19-C1'-C2' 117.097 2.31 . 0.083 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.379 0 O4'-C1'-N19 111.545 3.345 . 0.049 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 P-O3'-C3' 124.22 3.766 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 111.853 3.653 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.207 0 C4'-C3'-C2' 99.34 -3.36 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.217 0 C4'-C3'-C2' 99.964 -2.736 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.775 -2.925 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 1 O4'-C1'-N19 112.379 4.179 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C3'-C2'-C1' 104.299 3.11 . 0.163 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 4 O4'-C1'-N19 114.857 6.657 . 0.01 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C5'-C4'-O4' 113.3 2.929 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.885 1 O4'-C1'-N19 112.847 4.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.093 0 O5'-C5'-C4' 115.565 3.832 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.37 0 N19-C1'-C2' 117.321 2.451 . 0.041 2g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.181 0 O4'-C1'-N19 111.152 2.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 99.362 -3.338 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.978 0 O4'-C1'-N19 111.604 3.404 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.031 0 C5'-C4'-O4' 112.134 2.096 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 O4'-C1'-N19 110.865 2.665 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C5'-C4'-C3' 112.291 -2.139 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C4'-C3'-C2' 100.725 -1.975 . 0.025 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 0 C4'-C3'-C2' 98.9 -3.8 . 0.244 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C4'-C3'-C2' 99.304 -3.396 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 C4'-C3'-C2' 99.83 -2.87 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 111.64 3.44 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 O4'-C1'-N19 111.714 3.514 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.455 0.169 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 41.2 p -142.03 164.99 28.68 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.751 1.621 . . . . 0.0 111.642 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' VAL . . . . . 0.46 ' CG1' ' H21' ' B' ' 16' ' ' ' G' . 13.6 p -151.67 149.16 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.294 1.438 . . . . 0.0 110.544 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.88 149.5 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.161 1.784 . . . . 0.0 109.58 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 7.8 t -136.6 2.23 2.66 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -178.94 178.96 48.95 Favored Glycine 0 CA--C 1.533 1.211 0 O-C-N 120.576 -1.328 . . . . 0.0 114.492 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -137.97 -16.56 1.27 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.881 1.272 . . . . 0.0 113.746 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -140.45 156.24 46.43 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.769 1.627 . . . . 0.0 111.496 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.86 171.88 3.18 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.68 1.192 . . . . 0.0 113.785 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -146.99 167.05 24.97 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.16 1.784 . . . . 0.0 110.838 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -135.91 152.1 50.66 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.202 1.401 . . . . 0.0 112.161 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -131.67 19.03 4.69 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.115 1.766 . . . . 0.0 111.388 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.27 -178.54 48.39 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.933 1.73 . . . . 0.0 113.153 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . -176.64 -178.12 46.14 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.053 1.787 . . . . 0.0 112.118 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.97 156.16 44.82 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.365 1.066 . . . . 0.0 113.62 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -145.13 -14.58 0.52 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.797 1.639 . . . . 0.0 113.711 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -53.09 -28.32 24.6 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.011 1.724 . . . . 0.0 114.744 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -59.78 -12.2 6.8 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.425 1.49 . . . . 0.0 113.699 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 95.0 p 35.9 37.9 0.05 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.47 3.108 . . . . 0.0 117.161 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 50.53 40.3 23.14 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.191 1.396 . . . . 0.0 112.812 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.52 159.3 2.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.063 1.345 . . . . 0.0 113.669 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' C' ' 124' ' ' ASP . 39.9 t0 -129.78 133.25 46.87 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.244 1.818 . . . . 0.0 106.323 173.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -72.63 27.49 0.06 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.618 1.967 . . . . 0.0 114.406 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' C' ' 122' ' ' ASP . 11.8 m-20 -129.03 2.66 5.27 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 128.212 2.605 . . . . 0.0 112.441 173.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -127.02 123.56 37.34 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.21 1.368 . . . . 0.0 112.781 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.53 128.47 35.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.555 1.542 . . . . 0.0 114.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.02 -19.45 60.05 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 121.421 -0.799 . . . . 0.0 112.936 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 128' ' ' TYR . . . . . 0.459 ' CE1' " H2'" ' B' ' 34' ' ' ' A' . 22.3 t80 -79.81 -34.54 39.47 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -137.11 -4.37 1.92 Allowed 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 76.54 -3.05 2.6 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 127.727 2.411 . . . . 0.0 115.626 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.44 154.09 39.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.799 1.182 . . . . 0.0 112.674 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -102.92 141.34 35.89 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.103 1.361 . . . . 0.0 111.775 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.12 -7.03 21.42 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 126.279 1.895 . . . . 0.0 114.949 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -154.94 177.53 11.2 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.96 1.304 . . . . 0.0 112.898 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -115.09 165.46 12.88 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.321 2.248 . . . . 0.0 109.332 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.43 53.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.209 1.004 . . . . 0.0 112.913 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.83 -14.55 9.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.968 1.707 . . . . 0.0 114.411 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.25 12.61 5.56 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.189 2.196 . . . . 0.0 111.992 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.08 131.7 89.66 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 123.66 0.784 . . . . 0.0 111.334 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.75 -9.48 25.66 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.92 2.413 . . . . 0.0 113.163 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -88.36 -17.3 30.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.315 1.046 . . . . 0.0 113.478 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -68.41 145.81 97.5 Favored Pre-proline 0 N--CA 1.477 0.898 0 CA-C-N 119.057 0.844 . . . . 0.0 111.62 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.86 -14.02 26.65 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.264 2.643 . . . . 0.0 114.488 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -135.23 33.07 3.1 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.577 1.551 . . . . 0.0 113.442 -177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -168.28 162.75 36.54 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.588 1.089 . . . . 0.0 113.137 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.75 -14.78 5.26 Favored 'Cis proline' 0 CA--C 1.549 1.254 0 CA-C-N 118.673 1.237 . . . . 0.0 114.482 -27.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -141.04 38.49 1.77 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.615 1.566 . . . . 0.0 113.059 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 47.66 52.58 14.87 Favored Glycine 0 CA--C 1.546 2.031 0 C-N-CA 125.812 1.672 . . . . 0.0 116.65 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.62 171.86 16.34 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.996 3.131 . . . . 0.0 112.894 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -143.25 134.55 12.7 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 125.561 1.544 . . . . 0.0 110.864 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.7 171.54 17.06 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.387 2.725 . . . . 0.0 112.591 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -145.92 159.06 43.76 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.938 1.295 . . . . 0.0 112.299 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 7.8 t -158.48 178.37 10.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.675 1.59 . . . . 0.0 111.139 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 13.5 t -149.58 165.09 33.31 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.4 1.48 . . . . 0.0 112.125 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -139.5 7.36 2.35 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.417 1.887 . . . . 0.0 114.07 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 125.038 1.335 . . . . 0.0 111.085 -178.722 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.46 0.171 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 m 72.58 -26.44 0.18 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 127.496 2.318 . . . . 0.0 114.958 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -142.63 145.27 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.268 1.427 . . . . 0.0 110.712 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.1 t -136.44 20.81 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.049 1.34 . . . . 0.0 112.361 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -152.08 175.66 12.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.968 1.707 . . . . 0.0 111.833 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.29 -175.01 44.2 Favored Glycine 0 CA--C 1.534 1.279 0 O-C-N 121.405 -0.81 . . . . 0.0 114.728 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -143.49 144.06 31.83 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.987 1.315 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.07 -29.38 68.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.917 1.287 . . . . 0.0 113.857 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -79.46 -0.65 33.96 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.777 1.631 . . . . 0.0 113.999 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -124.55 25.53 7.54 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.347 1.459 . . . . 0.0 112.828 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -149.43 175.14 11.73 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.676 1.591 . . . . 0.0 113.29 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -130.59 9.27 5.04 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.182 1.793 . . . . 0.0 111.966 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.16 -168.67 34.65 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.29 1.424 . . . . 0.0 112.988 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.28 32.96 0.18 Allowed Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.577 1.56 . . . . 0.0 112.365 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -137.35 150.11 47.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.786 1.635 . . . . 0.0 112.113 -174.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -161.08 159.38 29.11 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.629 1.972 . . . . 0.0 109.743 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -134.44 165.88 24.16 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.251 1.42 . . . . 0.0 112.539 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 51.91 31.04 7.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.787 2.035 . . . . 0.0 115.008 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -55.3 -26.15 38.62 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -142.96 49.38 1.47 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.868 1.667 . . . . 0.0 109.646 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -142.2 132.62 25.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.196 0.998 . . . . 0.0 111.167 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -149.21 174.5 12.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.352 2.661 . . . . 0.0 108.383 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -10.83 11.29 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.39 12.38 31.64 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.688 1.595 . . . . 0.0 112.191 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -132.5 159.76 38.45 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.7 t -85.73 127.37 34.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.317 1.847 . . . . 0.0 112.413 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.84 66.93 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -83.75 -57.09 3.36 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 p -102.21 -7.5 22.11 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 70.05 10.02 7.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.04 172.23 10.44 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.949 0.9 . . . . 0.0 110.924 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -111.2 164.66 12.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 114.026 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.55 -1.6 88.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.627 1.584 . . . . 0.0 115.582 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -155.35 172.44 18.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.323 1.449 . . . . 0.0 111.956 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -113.25 166.18 11.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.597 1.959 . . . . 0.0 109.834 176.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.29 -32.95 18.33 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -52.92 -24.03 8.4 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.66 1.984 . . . . 0.0 114.255 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.49 16.0 7.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.584 1.953 . . . . 0.0 112.874 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.64 125.71 61.75 Favored Pre-proline 0 CA--C 1.555 1.165 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.73 -17.4 37.74 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 123.026 2.484 . . . . 0.0 113.492 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -70.57 -25.4 63.06 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.005 0.922 . . . . 0.0 111.681 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.52 147.51 94.84 Favored Pre-proline 0 N--CA 1.476 0.873 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -77.62 3.98 6.4 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 124.567 3.511 . . . . 0.0 115.258 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -138.79 160.38 39.82 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.631 1.572 . . . . 0.0 111.977 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.87 -42.09 37.36 Favored Glycine 0 CA--C 1.544 1.855 0 C-N-CA 126.064 1.792 . . . . 0.0 116.919 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -59.21 -23.58 2.48 Favored 'Cis proline' 0 CA--C 1.543 0.925 0 CA-C-N 119.928 1.864 . . . . 0.0 114.885 -28.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -64.92 157.6 27.59 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.35 1.06 . . . . 0.0 112.923 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.95 50.66 0.13 Allowed Glycine 0 CA--C 1.542 1.75 0 CA-C-O 118.313 -1.271 . . . . 0.0 115.154 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.47 169.56 22.02 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.411 2.74 . . . . 0.0 113.028 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -149.08 138.19 12.39 Favored Pre-proline 0 N--CA 1.476 0.848 0 C-N-CA 126.049 1.74 . . . . 0.0 110.492 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.2 168.39 23.48 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.709 2.273 . . . . 0.0 111.682 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -121.44 0.34 9.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.713 1.205 . . . . 0.0 113.492 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 p -130.43 -1.07 4.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.998 1.719 . . . . 0.0 113.726 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.6 m -139.51 22.55 2.53 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.515 1.526 . . . . 0.0 113.375 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 tt . . . . . 0 N--CA 1.475 0.777 0 C-N-CA 126.924 2.09 . . . . 0.0 113.104 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C5'-C4'-O4' 112.633 2.452 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.32 -3.38 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 111.643 3.443 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C4'-C3'-C2' 99.184 -3.516 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 O4'-C1'-N19 111.722 3.522 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.522 0 C3'-C2'-C1' 104.555 3.395 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 P-O3'-C3' 122.933 2.694 . 0.125 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C3'-C2'-C1' 104.955 3.839 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.359 2 C3'-C2'-C1' 106.679 5.755 . 0.216 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.361 2 P-O3'-C3' 125.26 4.633 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.463 3.263 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 1 O4'-C1'-N19 112.299 4.099 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.143 0 C4'-C3'-C2' 100.047 -2.653 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.05 -3.65 . 0.01 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 0 C5'-C4'-O4' 113.156 2.826 . 0.551 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.143 0 O4'-C1'-N19 111.792 3.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.818 0 O5'-C5'-C4' 115.387 3.705 . 0.021 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.571 1 C3'-C2'-C1' 106.323 5.359 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.953 0 N19-C1'-C2' 117.811 2.757 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.766 1 P-O3'-C3' 124.851 4.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C4'-C3'-C2' 98.741 -3.959 . 0.139 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 O4'-C1'-N19 111.032 2.832 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C5'-C4'-C3' 111.613 -2.591 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 2 O4'-C1'-N19 112.593 4.393 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.782 1 O4'-C1'-N19 113.007 4.807 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 O4'-C1'-N19 111.528 3.328 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 1 O4'-C1'-N19 112.253 4.053 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 112.052 3.852 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C5'-C4'-O4' 113.193 2.852 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C3'-C2'-C1' 104.033 2.815 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . 0.435 " H2'" ' C6 ' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.11 -3.59 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . 0.435 ' C6 ' " H2'" ' B' ' 32' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 O4'-C1'-N19 111.502 3.302 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.724 0 O5'-C5'-C4' 115.437 3.741 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 O4'-C1'-N19 111.534 3.334 . 0.074 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C5'-C4'-O4' 114.205 3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C3'-C2'-C1' 105.086 3.985 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 2 C4'-C3'-C2' 98.045 -4.655 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 40' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.126 0 O4'-C1'-N19 111.439 3.239 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . 0.415 ' C6 ' " H2'" ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.44 3.24 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C4'-C3'-C2' 98.716 -3.984 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 99.679 -3.021 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C5'-C4'-O4' 113.294 2.924 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 99.112 -3.588 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.251 0 C5'-C4'-O4' 113.181 2.844 . 0.297 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 O4'-C1'-N19 111.674 3.474 . 0.159 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 N19-C1'-C2' 117.351 2.47 . 0.109 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.589 0 C3'-C2'-C1' 104.979 3.865 . 0.092 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.788 3.588 . 0.014 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 111.996 3.796 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 0 C4'-C3'-C2' 99.642 -3.058 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 C4'-C3'-C2' 99.817 -2.883 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 C4'-C3'-C2' 99.899 -2.801 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 O4'-C1'-N19 111.878 3.678 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C3'-C2'-C1' 104.266 3.073 . 0.088 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.517 3 O4'-C1'-N19 115.021 6.821 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C5'-C4'-O4' 113.323 2.945 . 0.258 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.679 1 O4'-C1'-N19 112.559 4.359 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.841 0 C5'-C4'-O4' 113.675 3.196 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.286 0 O4'-C1'-N19 112.116 3.916 OUTLIER-DELTA 0.01 5d . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.375 0 P-O3'-C3' 123.49 3.158 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 C4'-C3'-C2' 99.48 -3.22 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . 0.401 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 O4'-C1'-N19 111.525 3.325 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . 0.401 ' C8 ' " H2'" ' B' ' 63' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.158 0 C4'-C3'-C2' 99.804 -2.896 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 0 O4'-C1'-N19 112.18 3.98 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.283 0 P-O3'-C3' 122.547 2.372 . 0.383 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 O4'-C4'-C3' 109.448 2.82 . 0.306 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.194 0 C5'-C4'-O4' 113.816 3.297 . 0.135 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.531 -3.169 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.248 -3.452 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 111.575 3.375 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.761 3.561 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.651 0.262 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 7.3 t -153.16 174.19 14.55 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.218 1.407 . . . . 0.0 111.445 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.66 120.58 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.851 1.26 . . . . 0.0 110.252 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.83 11.16 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.257 1.423 . . . . 0.0 113.554 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 24.3 m -154.34 165.64 35.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.181 1.792 . . . . 0.0 111.342 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -167.62 174.49 42.68 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.543 1.068 . . . . 0.0 113.661 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -66.21 149.85 49.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.789 1.236 . . . . 0.0 112.89 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -136.35 166.71 22.82 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.909 2.083 . . . . 0.0 109.574 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -139.24 139.69 37.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.822 1.649 . . . . 0.0 110.484 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.54 137.26 58.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.134 0.974 . . . . 0.0 111.064 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -60.58 163.31 5.52 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -142.85 -28.82 0.56 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.016 2.126 . . . . 0.0 111.506 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -176.6 170.02 42.67 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 127.346 2.403 . . . . 0.0 110.688 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.82 -176.32 43.68 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 118.223 1.011 . . . . 0.0 115.238 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -68.14 -3.38 10.26 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.911 1.684 . . . . 0.0 114.825 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -56.64 -25.19 52.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.905 1.682 . . . . 0.0 115.037 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -53.49 140.01 29.36 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.767 1.167 . . . . 0.0 112.885 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -136.24 153.59 51.16 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.825 2.05 . . . . 0.0 110.639 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 1.6 t 37.43 40.25 0.2 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.828 2.051 . . . . 0.0 115.707 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 51.53 30.79 6.75 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.606 1.962 . . . . 0.0 114.803 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.7 134.76 57.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.092 1.757 . . . . 0.0 109.354 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -131.59 143.43 50.34 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.599 1.16 . . . . 0.0 110.414 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.34 5.96 0.66 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.409 1.884 . . . . 0.0 114.701 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -107.65 -7.68 16.36 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.038 1.735 . . . . 0.0 112.774 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -90.2 170.24 10.46 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.024 1.33 . . . . 0.0 111.992 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 14.0 t -105.31 129.56 53.63 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.305 1.842 . . . . 0.0 109.844 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.77 74.37 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.49 -36.04 29.73 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.48 -6.34 7.0 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.25 32.0 mmtp 73.47 3.92 4.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.943 2.097 . . . . 0.0 115.534 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.0 177.96 2.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.401 1.08 . . . . 0.0 110.68 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -130.96 161.05 32.76 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.315 1.046 . . . . 0.0 113.589 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.68 -4.66 59.7 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.582 1.563 . . . . 0.0 113.56 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -154.72 168.59 26.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.107 2.163 . . . . 0.0 110.43 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -109.17 166.86 10.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.489 1.516 . . . . 0.0 110.355 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.65 23.32 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.22 -20.92 12.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.36 2.264 . . . . 0.0 113.537 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.27 16.68 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.998 2.119 . . . . 0.0 113.026 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.2 122.11 28.27 Favored Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -72.17 -14.15 28.65 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.923 2.416 . . . . 0.0 113.406 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -72.12 -21.05 61.53 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.933 0.893 . . . . 0.0 111.48 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -72.56 143.44 85.09 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.332 0.653 . . . . 0.0 111.825 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -74.24 168.31 25.1 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.333 2.688 . . . . 0.0 112.641 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -147.87 148.11 30.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.492 1.517 . . . . 0.0 110.742 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 157.61 -37.48 0.54 Allowed Glycine 0 CA--C 1.543 1.817 0 CA-C-O 117.359 -1.801 . . . . 0.0 115.821 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -47.82 154.5 4.78 Favored 'Cis proline' 0 C--N 1.355 0.904 0 CA-C-N 120.132 1.966 . . . . 0.0 113.638 -28.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -159.33 155.41 26.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.15 1.38 . . . . 0.0 111.605 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.01 49.12 0.05 OUTLIER Glycine 0 CA--C 1.542 1.763 0 N-CA-C 116.534 1.374 . . . . 0.0 116.534 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.43 156.02 59.0 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.188 2.592 . . . . 0.0 111.956 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -150.19 70.19 9.13 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 125.021 1.328 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.62 -10.67 17.16 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.983 3.122 . . . . 0.0 114.151 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -146.44 146.2 30.5 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.916 1.686 . . . . 0.0 110.283 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 9.4 t -156.35 176.04 13.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.42 1.488 . . . . 0.0 111.227 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 19.1 t -150.78 150.04 30.5 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.525 1.53 . . . . 0.0 111.439 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 10.1 tt -151.2 142.53 23.36 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.731 1.612 . . . . 0.0 110.405 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.245 1.418 . . . . 0.0 111.308 179.511 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.58 0.229 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.5 p -138.65 166.6 23.94 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.747 1.619 . . . . 0.0 111.36 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -152.88 150.04 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.88 1.272 . . . . 0.0 110.769 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -151.57 152.29 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.677 1.591 . . . . 0.0 110.42 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -70.25 163.88 25.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.848 1.259 . . . . 0.0 113.544 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.13 -179.66 47.9 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.243 0.925 . . . . 0.0 114.235 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -150.83 161.91 41.76 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.697 1.999 . . . . 0.0 109.689 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -58.31 163.45 3.0 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -137.67 177.18 8.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.058 2.143 . . . . 0.0 109.538 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -135.58 159.66 40.91 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.215 1.406 . . . . 0.0 110.522 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -148.28 170.91 16.86 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.285 1.216 . . . . 0.0 114.285 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -148.55 145.28 27.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.545 1.938 . . . . 0.0 109.483 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.56 174.92 47.06 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.033 0.825 . . . . 0.0 113.468 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.75 -175.62 39.92 Favored Glycine 0 CA--C 1.532 1.142 0 O-C-N 121.634 -0.921 . . . . 0.0 114.972 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -107.88 -1.93 20.31 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.762 1.625 . . . . 0.0 112.397 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -137.0 23.04 3.05 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 127.227 2.211 . . . . 0.0 111.561 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -137.87 158.07 45.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.738 2.415 . . . . 0.0 110.132 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -54.04 -25.83 23.45 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.526 1.53 . . . . 0.0 114.693 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 40.23 42.16 1.14 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.522 2.329 . . . . 0.0 115.108 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 51.25 34.58 11.72 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.984 1.714 . . . . 0.0 114.207 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.0 mt 44.6 61.71 2.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.164 2.186 . . . . 0.0 114.191 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -57.63 131.14 49.33 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 113.941 -1.481 . . . . 0.0 109.485 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -67.6 -5.98 18.08 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.974 -1.078 . . . . 0.0 113.196 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -96.19 5.55 50.8 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.479 1.511 . . . . 0.0 112.103 172.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -129.63 155.3 46.06 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.847 1.259 . . . . 0.0 113.639 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.8 t -77.16 131.23 38.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.652 1.581 . . . . 0.0 113.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.3 -8.48 56.39 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -106.91 -25.91 11.44 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.551 1.685 . . . . 0.0 115.551 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.01 -3.34 2.5 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 69.72 2.6 3.89 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.144 2.178 . . . . 0.0 115.189 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.76 154.55 29.29 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.672 1.124 . . . . 0.0 111.644 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -87.81 160.48 18.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.521 1.528 . . . . 0.0 113.504 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.73 0.75 56.41 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.136 1.614 . . . . 0.0 117.136 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -148.07 171.56 15.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.257 1.529 . . . . 0.0 112.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -120.79 163.48 18.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.261 1.824 . . . . 0.0 111.328 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.53 -37.86 18.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.773 1.229 . . . . 0.0 112.547 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -52.63 -22.25 4.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.649 1.98 . . . . 0.0 114.417 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -129.03 12.76 6.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.7 2.0 . . . . 0.0 113.29 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.5 t -60.61 134.75 91.89 Favored Pre-proline 0 CA--C 1.552 1.034 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.12 -17.51 45.55 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 123.011 2.474 . . . . 0.0 113.377 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.53 -23.08 63.54 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.943 0.792 . . . . 0.0 112.53 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -83.71 155.68 65.11 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 124.399 1.08 . . . . 0.0 113.046 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.7 -14.35 39.09 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.557 2.838 . . . . 0.0 114.064 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -59.49 152.32 22.04 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.789 1.636 . . . . 0.0 111.252 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' H ' ' HA ' ' A' ' 46' ' ' PRO . . . -152.81 -40.17 0.02 OUTLIER Glycine 0 CA--C 1.539 1.544 0 CA-C-O 117.485 -1.73 . . . . 0.0 115.812 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HA ' ' H ' ' A' ' 45' ' ' GLY . 49.7 Cg_endo -60.87 -1.31 0.85 Allowed 'Cis proline' 0 CA--C 1.546 1.081 0 CA-C-N 120.273 2.037 . . . . 0.0 116.057 -28.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 57.92 29.78 18.13 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.891 1.676 . . . . 0.0 113.443 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.56 56.09 0.04 OUTLIER Glycine 0 CA--C 1.541 1.674 0 C-N-CA 126.973 2.225 . . . . 0.0 112.726 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -69.78 165.54 30.67 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.312 2.675 . . . . 0.0 113.407 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -140.0 83.82 15.72 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.949 1.699 . . . . 0.0 110.265 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.87 160.64 48.74 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.308 2.672 . . . . 0.0 112.511 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -152.69 168.4 25.78 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.435 1.494 . . . . 0.0 112.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -152.93 168.06 27.08 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.185 1.394 . . . . 0.0 111.432 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 t -155.4 161.98 40.89 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.513 1.525 . . . . 0.0 111.589 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 125.703 1.601 . . . . 0.0 110.557 179.744 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.191 0 C4'-C3'-C2' 99.778 -2.922 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C4'-C3'-C2' 99.647 -3.053 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C4'-C3'-C2' 99.26 -3.44 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 O4'-C1'-N19 111.833 3.633 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.801 3.601 OUTLIER-EPSILON 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 4.114 3 P-O3'-C3' 138.633 15.778 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 2 O4'-C1'-N19 112.286 4.086 . 0.163 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 C1'-O4'-C4' 106.107 -3.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 2.518 1 C4'-C3'-C2' 97.39 -5.31 . 0.01 5j . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.735 0 P-O3'-C3' 124.024 3.603 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.975 1 O4'-C1'-N19 112.627 4.427 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.36 1 O4'-C1'-N19 113.412 5.212 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.508 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 C5'-C4'-O4' 114.125 3.518 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . 0.508 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.33 3.13 . 0.374 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C5'-C4'-O4' 112.957 2.684 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.19 0 O4'-C1'-N19 111.304 3.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C3'-C2'-C1' 103.914 2.683 . 0.203 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.647 1 C3'-C2'-C1' 105.946 4.94 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.946 0 N19-C1'-C2' 118.187 2.992 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.471 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.285 0 C5'-C4'-O4' 114.342 3.673 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . 0.41 " H2'" ' C8 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.436 1 C4'-C3'-C2' 98.543 -4.157 . 0.791 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . 0.41 ' C8 ' " H2'" ' B' ' 22' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 P-O3'-C3' 122.542 2.369 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 C3'-C2'-C1' 104.024 2.805 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 2 O4'-C1'-N19 113.579 5.379 . 0.73 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 2 C5'-C4'-O4' 115.67 4.622 . 0.273 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C5'-C4'-O4' 113.147 2.819 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 99.788 -2.912 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O4'-C1'-N19 111.053 2.853 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C3'-C2'-C1' 103.346 2.051 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 1 C3'-C2'-C1' 105.444 4.383 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 112.043 3.843 . 0.099 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.541 1 C3'-C2'-C1' 106.102 5.113 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 O5'-C5'-C4' 115.164 3.546 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 2 C4'-C3'-C2' 96.999 -5.701 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . 0.704 " H4'" HH12 ' C' ' 118' ' ' ARG . . . . . . . . 0 O3'--C3' 1.461 2.73 1 P-O5'-C5' 128.892 4.995 OUTLIER-DELTA 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C5'-C4'-C3' 110.594 -3.271 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 4 C4'-C3'-C2' 96.559 -6.141 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.263 -3.437 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.635 3.435 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C4'-C3'-C2' 99.715 -2.985 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 C5'-C4'-O4' 113.146 2.819 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 C4'-C3'-C2' 99.605 -3.095 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 1 C4'-C3'-C2' 98.697 -4.003 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.8 0 O4'-C1'-N19 111.628 3.428 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . 0.471 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.389 1 C4'-C3'-O3' 121.173 4.067 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . 0.404 " H3'" H5'' ' B' ' 48' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.308 1 P-O3'-C3' 126.833 5.944 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . 0.404 H5'' " H3'" ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C3'-C2'-C1' 104.284 3.094 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.064 0 O4'-C1'-N19 111.786 3.586 . 0.126 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 2 C4'-C3'-C2' 98.529 -4.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 99.721 -2.979 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.147 0 C4'-C3'-C2' 99.817 -2.883 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 C5'-C4'-O4' 112.836 2.597 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 111.811 3.611 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.341 -3.359 . 0.353 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 2 P-O3'-C3' 126.111 5.342 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C5'-C4'-O4' 112.965 2.689 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.773 1 O4'-C1'-N19 114.958 6.758 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.371 0 C5'-C4'-O4' 112.629 2.449 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.132 1 P-O3'-C3' 125.026 4.439 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 0 P-O3'-C3' 124.266 3.805 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.077 0 C4'-C3'-C2' 99.578 -3.122 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 O4'-C1'-N19 111.728 3.528 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 99.859 -2.841 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 99.558 -3.142 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.541 0 O4'-C4'-C3' 108.363 2.045 . 0.01 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 C4'-C3'-C2' 100.85 -1.85 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 99.689 -3.011 . 0.439 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 C4'-C3'-C2' 99.38 -3.32 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 99.482 -3.218 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.614 3.414 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 O4'-C1'-N19 111.785 3.585 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.387 0.137 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 5.1 t -136.66 -2.23 2.19 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 15.1 m -142.86 165.17 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 126.767 2.027 . . . . 0.0 110.824 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.08 163.11 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.7 1.6 . . . . 0.0 111.654 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 56.3 m -140.51 164.99 28.66 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.438 1.495 . . . . 0.0 112.076 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -173.94 178.43 45.82 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.836 1.207 . . . . 0.0 113.139 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -128.69 14.03 6.44 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.953 1.301 . . . . 0.0 113.848 -177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 55.13 20.31 3.27 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 126.5 1.92 . . . . 0.0 115.638 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.69 138.76 58.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.758 1.223 . . . . 0.0 111.776 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -147.94 -0.01 0.62 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -65.9 117.96 9.03 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.73 -1.231 . . . . 0.0 112.632 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -157.23 142.61 17.27 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.753 1.621 . . . . 0.0 109.865 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.95 173.49 33.64 Favored Glycine 0 CA--C 1.535 1.341 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.78 168.43 37.37 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.049 1.785 . . . . 0.0 112.326 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.46 7.35 3.31 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 20.3 tpt85 -64.44 133.06 51.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.51 1.124 . . . . 0.0 112.108 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -139.09 173.59 11.4 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.559 2.344 . . . . 0.0 109.964 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 118' ' ' ARG . . . . . 0.704 HH12 " H4'" ' B' ' 36' ' ' ' G' . 78.1 ttt180 -144.26 105.1 4.18 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.696 1.198 . . . . 0.0 112.977 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 16.4 m -51.97 -24.58 6.72 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.744 1.618 . . . . 0.0 114.891 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -76.08 3.93 9.49 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -133.84 149.36 51.37 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -155.85 139.9 16.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 130.991 3.716 . . . . 0.0 104.499 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -57.6 -14.98 6.15 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -109.8 18.09 20.53 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.926 1.29 . . . . 0.0 113.62 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -123.56 152.52 41.76 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.487 1.515 . . . . 0.0 113.892 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 43.0 t -74.93 130.96 40.29 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.354 -1.467 . . . . 0.0 112.19 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.76 -17.8 61.6 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -106.67 -70.54 0.79 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -82.72 -9.34 59.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.257 1.39 . . . . 0.0 114.56 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mttp 70.99 7.95 6.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.583 2.353 . . . . 0.0 115.359 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.33 166.43 16.58 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.284 0.947 . . . . 0.0 111.094 172.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -108.12 159.39 16.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 93.15 -3.79 73.46 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.604 1.573 . . . . 0.0 115.283 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -154.0 170.17 21.73 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.221 1.408 . . . . 0.0 112.077 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -109.59 163.41 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.516 1.926 . . . . 0.0 109.962 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.66 -35.39 60.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.18 -8.0 7.11 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.919 1.288 . . . . 0.0 114.055 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.71 10.81 5.16 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.711 2.404 . . . . 0.0 111.931 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.5 t -59.27 129.51 86.6 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 124.755 1.222 . . . . 0.0 113.447 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.2 -10.07 27.77 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 123.378 2.718 . . . . 0.0 113.391 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -121.08 18.16 11.65 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.861 1.264 . . . . 0.0 114.318 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -110.95 91.74 13.47 Favored Pre-proline 0 N--CA 1.482 1.132 0 C-N-CA 123.941 0.897 . . . . 0.0 111.598 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.03 176.05 10.44 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.186 2.59 . . . . 0.0 111.913 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -130.09 135.76 48.58 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.435 1.494 . . . . 0.0 110.349 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 155.87 -39.4 0.6 Allowed Glycine 0 CA--C 1.544 1.851 0 CA-C-O 117.579 -1.678 . . . . 0.0 114.442 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -55.65 167.38 9.36 Favored 'Cis proline' 0 C--N 1.356 0.925 0 CA-C-N 119.588 1.694 . . . . 0.0 113.713 -29.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 41.5 mtp-105 -129.31 27.6 5.32 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.413 1.485 . . . . 0.0 113.095 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 167.34 50.5 0.03 OUTLIER Glycine 0 CA--C 1.54 1.607 0 C-N-CA 125.86 1.695 . . . . 0.0 115.145 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.11 155.43 64.78 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.997 2.464 . . . . 0.0 110.671 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -133.99 69.73 74.73 Favored Pre-proline 0 N--CA 1.48 1.058 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.56 -27.14 81.53 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 123.188 2.592 . . . . 0.0 113.789 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -142.5 170.2 16.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.263 2.225 . . . . 0.0 110.521 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 9.7 t -150.69 167.32 27.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.992 1.317 . . . . 0.0 111.646 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 97.4 p -154.84 173.49 16.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.641 1.576 . . . . 0.0 112.535 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 17.7 tp -132.36 18.36 4.41 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.401 1.48 . . . . 0.0 112.638 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 124.921 1.288 . . . . 0.0 112.223 179.578 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.227 0.061 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.5 m -140.88 144.57 35.34 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.167 1.387 . . . . 0.0 110.595 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -150.23 154.8 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.554 1.542 . . . . 0.0 110.724 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -139.32 161.36 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.721 1.609 . . . . 0.0 111.555 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -153.21 171.84 17.88 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.334 1.454 . . . . 0.0 112.342 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.6 177.65 47.36 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.645 1.117 . . . . 0.0 113.516 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -149.04 161.24 42.34 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.519 1.528 . . . . 0.0 110.756 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 172.07 13.96 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.592 1.557 . . . . 0.0 112.717 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 57.22 27.48 13.65 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.193 1.797 . . . . 0.0 113.945 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.94 124.03 20.51 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.991 1.317 . . . . 0.0 111.596 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -65.79 123.04 18.69 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.546 1.138 . . . . 0.0 109.899 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -138.86 172.68 12.5 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.16 1.784 . . . . 0.0 112.037 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.29 177.94 40.46 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.108 1.337 . . . . 0.0 113.314 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.21 3.13 44.85 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.87 1.224 . . . . 0.0 114.817 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.37 4.55 0.71 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.829 2.051 . . . . 0.0 115.526 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -142.37 37.97 1.54 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.064 1.746 . . . . 0.0 111.952 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -137.01 -178.27 5.12 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 127.004 2.121 . . . . 0.0 112.273 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 mmt-85 62.18 4.67 1.29 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 128.114 2.566 . . . . 0.0 117.445 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.3 p -59.43 -12.92 6.88 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -133.1 42.08 3.07 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.859 2.064 . . . . 0.0 111.48 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -53.49 150.41 6.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.094 1.358 . . . . 0.0 114.134 -178.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -94.2 163.04 13.61 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.611 1.164 . . . . 0.0 113.415 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -64.94 -2.04 2.39 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.018 1.727 . . . . 0.0 114.655 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -109.88 6.55 23.42 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.568 1.947 . . . . 0.0 112.558 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -127.13 163.36 23.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.013 1.325 . . . . 0.0 111.929 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.74 143.59 26.38 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.525 1.13 . . . . 0.0 113.222 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.0 -1.71 48.4 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.97 1.308 . . . . 0.0 113.486 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -110.0 -28.72 8.57 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -132.34 -4.05 3.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 176.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 71.96 5.4 5.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.463 2.305 . . . . 0.0 115.69 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.19 -179.3 1.53 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.647 1.179 . . . . 0.0 112.814 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.65 160.2 23.76 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.247 1.419 . . . . 0.0 113.036 -178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.33 -2.5 87.77 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.345 1.45 . . . . 0.0 116.065 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -152.65 174.48 13.93 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.144 1.378 . . . . 0.0 111.659 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -120.34 168.45 11.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.514 1.925 . . . . 0.0 110.712 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.41 -41.0 8.76 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.968 1.707 . . . . 0.0 112.792 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -52.89 -20.1 3.06 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.479 2.312 . . . . 0.0 114.681 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.25 13.23 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.241 2.216 . . . . 0.0 112.277 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -62.17 131.09 93.41 Favored Pre-proline 0 CA--C 1.553 1.087 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.45 -14.86 40.91 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 123.157 2.572 . . . . 0.0 113.095 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -66.6 -24.86 66.39 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.225 1.01 . . . . 0.0 111.744 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -73.39 148.33 88.18 Favored Pre-proline 0 N--CA 1.475 0.781 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.09 158.7 6.42 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 124.165 3.243 . . . . 0.0 114.27 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.3 ptt85 -58.42 148.8 26.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.451 1.1 . . . . 0.0 113.01 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.09 -48.79 0.39 Allowed Glycine 0 CA--C 1.536 1.392 0 CA-C-O 118.478 -1.179 . . . . 0.0 113.831 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.98 -3.22 4.27 Favored 'Cis proline' 0 CA--C 1.547 1.127 0 N-CA-C 115.954 1.482 . . . . 0.0 115.954 -28.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -123.12 40.69 3.65 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.941 1.696 . . . . 0.0 112.321 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.98 -154.03 21.04 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 124.583 1.087 . . . . 0.0 112.443 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -66.46 166.89 20.24 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.333 2.689 . . . . 0.0 112.406 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -135.81 134.26 20.53 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.846 1.258 . . . . 0.0 111.941 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.51 174.72 12.1 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 123.607 2.872 . . . . 0.0 112.578 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -127.48 9.55 6.6 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.327 1.451 . . . . 0.0 113.672 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.0 p -143.48 165.8 26.56 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.941 2.096 . . . . 0.0 111.131 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.8 m -140.57 159.06 43.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.306 1.443 . . . . 0.0 111.82 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 125.359 1.464 . . . . 0.0 111.314 179.789 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C4'-C3'-C2' 99.657 -3.043 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 99.866 -2.834 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.921 0 C4'-C3'-C2' 98.818 -3.882 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.076 1 O4'-C1'-N19 112.684 4.484 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.387 0 O4'-C1'-N19 112.085 3.885 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.737 1 O4'-C1'-N19 112.807 4.607 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.155 1 O4'-C1'-N19 113.516 5.316 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 1 C1'-O4'-C4' 105.562 -4.486 . 0.131 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 1 C4'-C3'-C2' 98.615 -4.085 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.286 0 C5'-C4'-O4' 114.773 3.98 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 O4'-C1'-N19 112.092 3.892 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 1 O4'-C1'-N19 112.503 4.303 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.098 0 O4'-C1'-N19 111.11 2.91 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 2 O4'-C1'-N19 112.499 4.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C5'-C4'-O4' 114.107 3.505 OUTLIER-EPSILON 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.579 -2.364 1 P-O3'-C3' 137.604 14.92 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.556 -4.268 0 O4'-C4'-C3' 108.818 2.37 . 0.163 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.55 1 O4'-C1'-N19 112.619 4.419 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.35 2 O4'-C1'-N19 112.913 4.713 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.498 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.625 3.185 1 C5'-C4'-O4' 114.995 4.14 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 2 O4'-C1'-N19 112.647 4.447 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.083 0 O4'-C1'-N19 111.511 3.311 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.586 -3.114 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 2 C4'-C3'-C2' 97.269 -5.431 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 1 C5'-C4'-O4' 116.263 5.045 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 C4'-C3'-C2' 99.842 -2.858 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.452 -3.248 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 111.743 3.543 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 100.251 -2.449 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C3'-C2'-C1' 104.425 3.251 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 110.958 2.758 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C3'-C2'-C1' 104.683 3.536 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . 0.422 " H2'" ' CD1' ' C' ' 128' ' ' TYR . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-O3' 120.003 3.616 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 1 P-O3'-C3' 126.146 5.372 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 O4'-C1'-N19 111.483 3.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . 0.421 " H3'" " H4'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.952 3.752 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.421 " H4'" " H3'" ' B' ' 37' ' ' ' G' . . . . . . . . 0 P--O5' 1.623 2.988 2 O4'-C1'-N19 115.821 7.621 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 C5'-C4'-O4' 114.594 3.853 . 0.158 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 O4'-C1'-N19 111.755 3.555 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C4'-C3'-C2' 99.491 -3.209 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 C5'-C4'-O4' 112.894 2.639 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 100.277 -2.423 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 98.9 -3.8 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.597 1 C3'-C2'-C1' 105.235 4.15 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . 0.498 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.545 1.949 2 O4'-C1'-N19 113.811 5.611 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 98.955 -3.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.415 0 P-O3'-C3' 124.402 3.918 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 P-O3'-C3' 123.724 3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.961 3.761 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 0 C4'-C3'-C2' 99.192 -3.508 . 0.593 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.188 0 C4'-C3'-C2' 99.23 -3.47 . 0.594 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C5'-C4'-O4' 114.083 3.488 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 O4'-C1'-N19 111.694 3.494 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.563 -3.137 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.148 2 O4'-C1'-N19 113.384 5.184 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 O4'-C1'-N19 111.254 3.054 . 0.537 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 O4'-C1'-N19 111.604 3.404 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . 0.435 " H3'" " H3'" ' B' ' 60' ' ' ' U' . . . . . . . . 0 P--O5' 1.618 2.511 1 O4'-C1'-N19 114.527 6.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . 0.435 " H3'" " H3'" ' B' ' 59' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.844 0 C4'-C3'-O3' 118.187 2.918 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.071 0 P-O3'-C3' 123.575 3.229 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 99.441 -3.259 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 O4'-C1'-N19 111.705 3.505 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 C4'-C3'-C2' 100.199 -2.501 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 O4'-C1'-N19 111.523 3.323 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 P-O3'-C3' 122.44 2.283 . 0.682 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 100.51 -2.19 . 0.104 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C4'-C3'-C2' 100.055 -2.645 . 0.696 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 99.495 -3.205 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 C4'-C3'-C2' 99.842 -2.858 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 99.433 -3.267 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 O4'-C1'-N19 111.629 3.429 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 23.1 p -140.71 157.15 45.84 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.575 1.55 . . . . 0.0 111.821 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 24.4 m -143.16 167.83 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 126.211 1.804 . . . . 0.0 111.402 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -63.39 159.99 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.34 1.056 . . . . 0.0 112.518 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -147.26 166.18 27.85 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.592 1.157 . . . . 0.0 112.27 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.8 -174.55 47.13 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.862 1.696 . . . . 0.0 112.721 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -138.63 154.06 48.64 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.094 1.358 . . . . 0.0 111.429 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -142.33 163.94 31.5 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.262 1.825 . . . . 0.0 111.396 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -67.14 153.78 42.83 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.298 1.039 . . . . 0.0 112.519 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -66.31 138.33 57.55 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.956 1.302 . . . . 0.0 112.591 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -136.13 16.88 3.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.491 1.917 . . . . 0.0 112.909 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -134.98 -33.82 0.91 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.747 1.219 . . . . 0.0 113.805 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.88 162.7 53.93 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.417 -0.802 . . . . 0.0 113.238 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.34 -164.75 35.73 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.361 0.981 . . . . 0.0 112.768 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -60.69 156.66 16.32 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.239 1.015 . . . . 0.0 113.642 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -118.16 20.53 13.15 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.477 1.911 . . . . 0.0 112.909 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -124.24 7.37 8.46 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 126.692 1.997 . . . . 0.0 113.969 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -67.18 161.67 24.21 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.257 1.023 . . . . 0.0 112.151 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 36.0 m -40.89 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.998 2.119 . . . . 0.0 114.378 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 47.29 38.3 6.99 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.81 2.044 . . . . 0.0 114.44 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 15.0 mt -139.44 164.28 30.28 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.626 1.679 . . . . 0.0 115.039 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -148.59 154.73 40.14 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 130.737 3.615 . . . . 0.0 105.693 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -0.01 1.42 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.084 -1.635 . . . . 0.0 115.18 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -126.02 18.53 7.8 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.781 2.033 . . . . 0.0 112.593 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -120.54 148.46 43.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.992 1.317 . . . . 0.0 112.186 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 42.9 t -82.52 131.43 35.21 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.277 1.431 . . . . 0.0 114.628 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.94 6.51 15.73 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 128' ' ' TYR . . . . . 0.422 ' CD1' " H2'" ' B' ' 34' ' ' ' A' . 39.1 t80 -117.31 -33.71 4.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.268 1.427 . . . . 0.0 114.191 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.36 -3.13 3.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 76.48 -6.3 2.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.028 2.531 . . . . 0.0 115.134 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.88 164.14 10.74 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.963 1.256 . . . . 0.0 112.479 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -115.63 157.19 24.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.66 1.184 . . . . 0.0 113.243 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.92 -3.9 58.89 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.884 1.707 . . . . 0.0 113.875 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -155.6 173.56 16.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.76 1.624 . . . . 0.0 112.39 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -113.93 161.07 18.1 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.895 2.078 . . . . 0.0 110.229 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.27 -39.66 45.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.786 1.234 . . . . 0.0 113.778 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -54.55 -22.14 12.28 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.614 1.566 . . . . 0.0 113.93 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.56 14.55 6.53 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.895 2.078 . . . . 0.0 112.671 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.2 t -57.11 135.32 80.61 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.837 1.255 . . . . 0.0 113.807 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -55.09 -28.24 59.51 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.019 2.479 . . . . 0.0 113.386 174.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -89.17 -8.99 52.58 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.583 1.553 . . . . 0.0 113.389 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -125.72 66.67 57.31 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 125.876 1.67 . . . . 0.0 110.894 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -76.07 158.52 37.97 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.632 2.888 . . . . 0.0 112.52 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -143.68 29.36 1.39 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.157 1.383 . . . . 0.0 112.712 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -75.29 -38.92 37.82 Favored Glycine 0 CA--C 1.543 1.837 0 CA-C-O 117.385 -1.786 . . . . 0.0 115.584 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -51.36 165.06 5.11 Favored 'Cis proline' 0 CA--C 1.541 0.873 0 CA-C-N 120.112 1.956 . . . . 0.0 113.904 -29.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -155.81 158.46 38.14 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.061 1.345 . . . . 0.0 111.897 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 178.79 -177.53 48.48 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 124.799 1.19 . . . . 0.0 113.396 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.31 171.72 15.53 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 124.181 3.254 . . . . 0.0 113.041 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -140.39 132.71 14.52 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 125.61 1.564 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.74 146.55 54.44 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.761 2.307 . . . . 0.0 110.826 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -155.07 156.63 36.2 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.121 0.968 . . . . 0.0 111.562 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 6.9 t -150.64 173.84 13.67 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.118 1.367 . . . . 0.0 111.652 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 60.5 m -141.3 162.33 35.75 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.02 1.728 . . . . 0.0 112.207 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 52.4 tp -146.83 148.45 31.88 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.457 1.503 . . . . 0.0 110.836 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.42 1.488 . . . . 0.0 111.208 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.702 0.287 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -140.71 -176.69 4.75 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.431 1.892 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.25 -15.83 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 121.059 -1.026 . . . . 0.0 113.291 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 t -88.28 -21.92 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.769 1.628 . . . . 0.0 111.929 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 m -63.25 160.65 15.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.946 1.298 . . . . 0.0 113.754 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.38 -175.3 36.56 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.011 1.291 . . . . 0.0 113.363 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.93 157.19 31.35 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.442 1.097 . . . . 0.0 113.164 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 tptp 66.08 151.6 0.06 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 128.7 2.8 . . . . 0.0 114.582 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -153.16 172.14 17.4 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.788 2.035 . . . . 0.0 110.997 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -148.45 154.92 40.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.272 1.429 . . . . 0.0 111.594 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -147.36 135.81 21.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.76 1.624 . . . . 0.0 110.422 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.54 164.04 31.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.576 1.55 . . . . 0.0 111.566 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.64 -174.59 47.13 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.472 1.034 . . . . 0.0 114.153 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.11 171.57 43.52 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.214 1.388 . . . . 0.0 113.213 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -154.61 150.73 28.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.783 1.233 . . . . 0.0 112.57 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -134.11 0.5 3.15 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.26 167.14 14.96 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.438 1.095 . . . . 0.0 111.624 177.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -65.13 -5.5 6.83 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 m -55.53 -12.89 1.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 127.396 2.279 . . . . 0.0 114.972 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -129.27 104.15 7.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.017 1.727 . . . . 0.0 110.277 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.34 152.81 39.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.431 1.892 . . . . 0.0 108.452 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -155.18 159.69 40.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.195 1.798 . . . . 0.0 109.091 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -63.58 -10.06 16.53 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.55 -1.344 . . . . 0.0 114.207 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.55 18.56 15.85 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.076 1.751 . . . . 0.0 112.447 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -130.08 155.34 46.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.493 1.117 . . . . 0.0 113.4 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.06 134.1 35.32 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.442 1.497 . . . . 0.0 112.825 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.65 -27.74 66.27 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -87.38 -69.0 0.71 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 p -89.93 -6.88 55.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 72.52 4.62 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.293 2.237 . . . . 0.0 115.23 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -66.76 168.73 9.05 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.208 0.913 . . . . 0.0 112.086 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -108.65 163.49 13.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.39 1.476 . . . . 0.0 113.043 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.3 -3.57 85.87 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.313 1.435 . . . . 0.0 115.551 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -153.91 171.96 18.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.992 1.317 . . . . 0.0 112.194 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -116.54 163.54 15.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.86 2.064 . . . . 0.0 110.432 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.97 -35.41 15.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.129 1.372 . . . . 0.0 113.006 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.04 -22.94 2.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.241 1.817 . . . . 0.0 114.038 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -131.42 15.51 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.023 2.129 . . . . 0.0 113.324 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.8 t -56.95 129.93 78.78 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -70.53 -16.98 34.38 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.774 2.316 . . . . 0.0 113.153 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -73.33 -22.58 60.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.37 1.068 . . . . 0.0 111.776 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -68.84 151.97 96.99 Favored Pre-proline 0 N--CA 1.476 0.863 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -74.97 3.63 5.43 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 C-N-CA 124.252 3.302 . . . . 0.0 113.603 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -49.19 146.38 3.67 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.056 2.142 . . . . 0.0 113.353 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.24 -35.07 0.2 Allowed Glycine 0 CA--C 1.541 1.702 0 CA-C-O 117.21 -1.883 . . . . 0.0 116.191 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -57.97 -11.12 1.13 Allowed 'Cis proline' 0 CA--C 1.544 0.997 0 CA-C-N 120.614 2.207 . . . . 0.0 116.034 -27.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -146.69 165.56 29.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.144 1.378 . . . . 0.0 111.422 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.98 63.7 0.3 Allowed Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.646 1.117 . . . . 0.0 113.411 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.42 165.24 29.67 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.54 2.827 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.55 145.08 51.9 Favored Pre-proline 0 N--CA 1.479 1.018 0 C-N-CA 125.313 1.445 . . . . 0.0 111.379 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.74 111.42 3.13 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.657 2.904 . . . . 0.0 112.56 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -55.14 -19.46 7.73 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.852 1.661 . . . . 0.0 115.28 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -116.28 11.97 15.24 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.817 1.247 . . . . 0.0 112.841 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -142.4 -3.5 1.04 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 126.132 1.773 . . . . 0.0 110.441 178.638 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.115 0 C4'-C3'-C2' 99.501 -3.199 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 O4'-C1'-N19 111.346 3.146 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 111.777 3.577 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 O4'-C1'-N19 111.693 3.493 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 O4'-C1'-N19 111.694 3.494 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C3'-C2'-C1' 104.688 3.542 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.205 1 O4'-C1'-N19 113.165 4.965 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.663 0 C3'-C2'-C1' 104.471 3.301 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C4'-C3'-C2' 98.836 -3.864 . 0.094 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.789 0 O5'-C5'-C4' 114.617 3.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.768 3.568 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 O4'-C1'-N19 112.543 4.343 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C4'-C3'-C2' 99.028 -3.672 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 C4'-C3'-C2' 99.124 -3.576 . 0.109 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C5'-C4'-O4' 113.622 3.159 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . 0.563 " H3'" H5'' ' B' ' 18' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.38 3 P-O3'-C3' 127.872 6.81 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.563 H5'' " H3'" ' B' ' 16' ' ' ' G' . . . . . . . . 1 P--O3' 1.555 -4.338 2 P-O3'-C3' 138.804 15.92 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.96 1 P-O3'-C3' 124.584 4.07 . 0.159 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.039 0 O5'-C5'-C4' 115.713 3.938 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.574 0 P-O3'-C3' 123.534 3.195 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.113 1 C4'-C3'-C2' 98.568 -4.132 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 O4'-C1'-N19 111.209 3.009 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C5'-C4'-C3' 111.66 -2.56 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 2 C4'-C3'-C2' 97.761 -4.939 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.695 1 O4'-C1'-N19 112.456 4.256 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . 0.422 ' P ' HH22 ' C' ' 118' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 O4'-C1'-N19 111.281 3.081 . 0.902 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 1 O4'-C1'-N19 112.777 4.577 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 1 O4'-C1'-N19 113.262 5.062 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C5'-C4'-O4' 112.808 2.577 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 110.741 2.541 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.432 4.232 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.323 1 O4'-C1'-N19 112.794 4.594 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.515 0 P-O3'-C3' 123.193 2.91 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.601 1 C4'-C3'-O3' 122.597 4.614 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.969 1 P-O3'-C3' 126.479 5.649 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . 0.554 ' H21' ' HA ' ' C' ' 123' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C5'-C4'-O4' 113.164 2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.483 -3.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.914 -3.786 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.226 0 O4'-C1'-N19 112.045 3.845 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C4'-C3'-C2' 99.359 -3.341 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 O4'-C1'-N19 112.071 3.871 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C4'-C3'-C2' 98.718 -3.982 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-N19 110.749 2.549 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C5'-C4'-O4' 112.716 2.512 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C3'-C2'-C1' 104.407 3.23 . 0.456 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 0 N19-C1'-C2' 117.573 2.608 . 0.389 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.568 3.368 . 0.279 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.486 0 O4'-C1'-N19 112.127 3.927 . 0.197 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.085 0 O4'-C1'-N19 111.904 3.704 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 0 C4'-C3'-C2' 99.789 -2.911 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.265 0 C4'-C3'-C2' 99.822 -2.878 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 C4'-C3'-C2' 99.915 -2.785 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 112.044 3.844 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C3'-C2'-C1' 104.391 3.212 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 3 O4'-C1'-N19 114.638 6.438 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C5'-C4'-C3' 111.212 -2.859 . 0.566 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.77 1 O4'-C1'-N19 112.909 4.709 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.426 2 O4'-C1'-N19 115.747 7.547 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 1 O4'-C1'-N19 112.203 4.003 . 0.01 5d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.892 3 C5'-C4'-C3' 107.943 -5.038 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C4'-C3'-C2' 99.173 -3.527 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 O4'-C1'-N19 112.049 3.849 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.018 1 O4'-C1'-N19 112.28 4.08 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C5'-C4'-O4' 112.911 2.65 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.554 -4.42 1 P-O3'-C3' 132.846 10.955 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 O3'-P-O5' 97.77 -3.279 . 0.044 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 C4'-C3'-C2' 99.014 -3.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 C4'-C3'-C2' 99.23 -3.47 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C4'-C3'-C2' 99.486 -3.214 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.975 0 O4'-C1'-N19 111.938 3.738 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 111.68 3.48 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 119.918 -0.087 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 19.0 m 70.63 152.06 0.1 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 127.058 2.143 . . . . 0.0 113.251 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.67 144.69 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.471 1.509 . . . . 0.0 110.537 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 35.9 m -134.94 6.92 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 125.306 1.442 . . . . 0.0 113.665 -177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 73.6 p -134.44 13.16 3.8 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.911 1.684 . . . . 0.0 114.322 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.42 174.44 44.99 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.671 1.129 . . . . 0.0 113.803 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -153.39 160.68 42.69 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.098 1.759 . . . . 0.0 110.461 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -141.85 160.75 39.55 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.368 1.467 . . . . 0.0 112.846 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -145.7 -179.07 6.43 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.494 1.918 . . . . 0.0 110.733 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -137.39 147.07 45.18 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.672 1.989 . . . . 0.0 109.344 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 33.6 ttm-85 -148.26 -24.03 0.34 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 60.21 -57.45 0.07 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 129.483 3.113 . . . . 0.0 117.952 175.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.12 -170.82 30.82 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-N 120.537 1.517 . . . . 0.0 116.209 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.09 -171.4 44.26 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 126.667 2.08 . . . . 0.0 113.043 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -154.52 134.94 13.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.188 1.395 . . . . 0.0 111.402 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -135.62 -0.96 2.56 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 46.95 34.17 2.59 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 126.564 1.946 . . . . 0.0 113.71 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' ARG . . . . . 0.422 HH22 ' P ' ' B' ' 27' ' ' ' C' . 99.7 mtt180 41.96 30.35 0.17 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 129.547 3.139 . . . . 0.0 115.075 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 24.2 m 45.06 33.11 0.99 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.744 1.618 . . . . 0.0 114.09 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 55.46 28.83 12.22 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.146 2.178 . . . . 0.0 115.266 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.06 141.29 45.73 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.266 1.427 . . . . 0.0 109.086 174.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -134.79 159.57 40.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.452 1.501 . . . . 0.0 109.686 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.554 ' HA ' ' H21' ' B' ' 37' ' ' ' G' . 1.3 mpt_? -63.36 8.69 0.07 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 128.488 2.715 . . . . 0.0 115.427 -178.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -123.18 -1.73 8.69 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.41 1.884 . . . . 0.0 113.933 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -107.49 140.26 40.74 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.755 -1.216 . . . . 0.0 111.094 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.28 121.27 18.16 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.046 -1.659 . . . . 0.0 111.403 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.4 -15.76 62.88 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.529 -0.732 . . . . 0.0 112.68 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.87 -36.7 12.1 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.28 -6.94 7.05 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.292 80.2 mttt 73.65 7.9 5.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.351 2.261 . . . . 0.0 115.664 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -70.24 175.38 4.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.585 0.754 . . . . 0.0 110.644 171.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 143.04 51.23 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.913 -1.117 . . . . 0.0 112.1 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 111.99 -2.63 27.12 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.446 1.974 . . . . 0.0 114.435 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -156.0 -179.67 8.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.982 1.313 . . . . 0.0 113.234 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -120.94 167.3 12.71 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.528 2.331 . . . . 0.0 109.945 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.72 -38.86 16.17 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.603 1.161 . . . . 0.0 113.007 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -52.57 -22.43 4.96 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.977 2.111 . . . . 0.0 114.524 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.97 8.41 5.22 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.562 1.945 . . . . 0.0 112.865 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 36.8 t -54.12 124.57 46.26 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.238 1.415 . . . . 0.0 113.505 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.28 -6.91 20.21 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.083 2.522 . . . . 0.0 113.034 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -110.37 7.51 22.93 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.661 1.984 . . . . 0.0 112.921 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -121.47 127.23 26.18 Favored Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 124.287 1.035 . . . . 0.0 110.587 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -76.04 -24.35 11.31 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.214 2.609 . . . . 0.0 115.718 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 47.08 40.24 9.36 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.874 1.67 . . . . 0.0 113.644 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 145' ' ' GLY . . . . . 0.518 ' H ' ' HA ' ' C' ' 146' ' ' PRO . . . -121.63 -43.79 0.41 Allowed Glycine 0 CA--C 1.541 1.702 0 C-N-CA 125.778 1.656 . . . . 0.0 115.374 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 146' ' ' PRO . . . . . 0.518 ' HA ' ' H ' ' C' ' 145' ' ' GLY . 61.6 Cg_endo -62.61 -18.67 4.61 Favored 'Cis proline' 0 CA--C 1.542 0.88 0 CA-C-N 120.006 1.903 . . . . 0.0 115.344 -28.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 48.96 36.44 8.4 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.181 1.792 . . . . 0.0 114.203 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -172.93 59.18 0.15 Allowed Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.182 1.372 . . . . 0.0 114.24 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -74.77 48.62 1.98 Allowed 'Trans proline' 0 CA--C 1.552 1.38 0 C-N-CA 125.222 3.948 . . . . 0.0 113.36 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 35.7 mtp-105 -61.66 150.65 81.02 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.777 1.631 . . . . 0.0 112.717 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.03 159.46 52.89 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.321 2.68 . . . . 0.0 112.872 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -69.52 -15.81 63.31 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.303 1.441 . . . . 0.0 114.115 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 51.9 p -139.02 164.21 30.36 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.073 1.749 . . . . 0.0 111.862 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 13.7 t -152.22 173.87 14.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.11 1.364 . . . . 0.0 111.675 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 25.9 tp -130.53 -0.2 4.43 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.688 1.995 . . . . 0.0 112.475 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 125.439 1.495 . . . . 0.0 111.393 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.349 0.119 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.3 p -128.32 -4.26 5.5 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.104 1.361 . . . . 0.0 114.576 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 t 58.28 24.34 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 126.173 1.789 . . . . 0.0 113.714 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.95 171.0 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.172 1.789 . . . . 0.0 111.413 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -134.82 26.18 3.65 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.231 1.412 . . . . 0.0 112.378 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.52 -176.19 46.94 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.415 1.483 . . . . 0.0 112.821 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -117.47 6.33 12.57 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.191 1.396 . . . . 0.0 113.064 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -139.76 162.37 35.29 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.974 2.109 . . . . 0.0 110.518 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -131.35 10.41 4.85 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 54.81 25.28 6.47 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.981 1.713 . . . . 0.0 114.853 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -138.8 171.5 14.24 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.124 2.169 . . . . 0.0 110.729 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -134.92 173.82 11.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.881 1.672 . . . . 0.0 111.92 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.05 -178.29 34.9 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.44 1.019 . . . . 0.0 113.794 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.48 -26.81 0.27 Allowed Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.448 1.499 . . . . 0.0 113.334 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 51.47 28.04 4.23 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.111 2.164 . . . . 0.0 114.91 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -140.89 146.02 36.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.013 1.725 . . . . 0.0 112.027 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -130.94 7.17 4.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.756 2.423 . . . . 0.0 112.566 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -53.1 151.1 5.17 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.071 1.748 . . . . 0.0 112.748 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -149.54 -50.3 0.14 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -155.33 137.35 14.6 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.726 1.148 . . . . 0.0 112.928 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.66 -174.69 5.0 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.49 1.916 . . . . 0.0 111.243 176.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -146.87 166.93 25.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.668 1.987 . . . . 0.0 108.073 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -66.48 0.28 2.3 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 120.393 -1.442 . . . . 0.0 114.014 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -120.62 13.58 11.69 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.279 2.232 . . . . 0.0 112.244 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.21 149.97 42.92 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.889 1.276 . . . . 0.0 112.844 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -73.15 128.62 36.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.336 1.454 . . . . 0.0 112.008 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.82 -13.86 62.48 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -106.43 -33.99 7.55 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.93 -2.72 9.71 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 72.67 -5.99 1.73 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.722 2.409 . . . . 0.0 114.55 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.62 163.12 9.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.664 1.12 . . . . 0.0 112.398 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 156.73 19.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.104 1.361 . . . . 0.0 113.5 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.01 -4.41 65.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.334 1.445 . . . . 0.0 114.799 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.92 170.8 20.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.295 1.438 . . . . 0.0 111.994 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -113.23 163.48 14.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.487 1.915 . . . . 0.0 109.792 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.36 -34.28 15.6 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -53.94 -24.26 15.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.024 1.73 . . . . 0.0 114.147 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -125.56 16.01 8.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.602 1.961 . . . . 0.0 112.705 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t -55.64 125.55 61.24 Favored Pre-proline 0 CA--C 1.554 1.121 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.89 -30.51 77.55 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.746 2.964 . . . . 0.0 115.17 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -80.82 -13.61 58.8 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -82.36 153.1 68.44 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 123.803 0.841 . . . . 0.0 113.041 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -77.58 31.89 0.43 Allowed 'Trans proline' 0 CA--C 1.555 1.543 0 C-N-CA 124.953 3.769 . . . . 0.0 112.838 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 64.34 175.62 0.19 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 128.13 2.572 . . . . 0.0 113.576 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.83 -173.26 46.08 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.018 1.294 . . . . 0.0 113.244 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -89.15 -16.71 21.69 Favored 'Cis proline' 0 CA--C 1.541 0.853 0 CA-C-N 118.323 1.062 . . . . 0.0 113.848 28.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -139.58 174.51 10.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.513 1.925 . . . . 0.0 111.107 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.6 -68.65 0.01 OUTLIER Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.006 1.289 . . . . 0.0 112.291 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.69 163.21 39.06 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.937 2.425 . . . . 0.0 111.079 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -137.03 148.35 62.44 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 124.551 1.14 . . . . 0.0 112.538 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.21 138.73 36.64 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.909 3.073 . . . . 0.0 113.199 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -84.27 -1.17 54.81 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.157 0.983 . . . . 0.0 113.328 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.0 m -141.28 153.59 45.27 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.232 2.213 . . . . 0.0 108.82 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 m -60.53 -2.3 0.49 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.96 2.207 . . . . 0.0 116.96 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 125.609 1.564 . . . . 0.0 112.275 179.12 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C4'-C3'-C2' 99.695 -3.005 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 99.85 -2.85 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 O4'-C1'-N19 111.724 3.524 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 1 O4'-C1'-N19 112.476 4.276 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 O4'-C1'-N19 112.234 4.034 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.5 0 O4'-C1'-N19 111.421 3.221 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 O4'-C1'-N19 111.667 3.467 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C5'-C4'-C3' 110.249 -3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.867 1 O4'-C1'-N19 112.409 4.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.454 1 C5'-C4'-C3' 109.242 -4.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 C4'-C3'-C2' 99.578 -3.122 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.554 ' H41' ' H22' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C1'-N19 111.335 3.135 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C3'-C2'-C1' 104.113 2.903 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.58 1 C4'-C3'-C2' 98.562 -4.138 . 0.018 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . 0.456 ' C2 ' " H1'" ' B' ' 59' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.646 0 O4'-C1'-N19 112.119 3.919 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.244 0 C5'-C4'-C3' 109.53 -3.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 C3'-C2'-C1' 104.75 3.611 . 0.419 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.698 1 C3'-C2'-C1' 106.014 5.015 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.434 0 O4'-C1'-N19 111.35 3.15 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 99.687 -3.013 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 2 C4'-C3'-C2' 97.346 -5.354 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.333 0 O4'-C1'-N19 111.928 3.728 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.762 0 C4'-C3'-C2' 99.414 -3.286 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 1 C4'-C3'-C2' 97.815 -4.885 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 2 O4'-C1'-N19 112.466 4.266 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 111.33 3.13 . 0.884 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.453 3.253 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.554 -3.146 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C4'-C3'-C2' 99.255 -3.445 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 O4'-C1'-N19 111.62 3.42 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 1 O4'-C1'-N19 112.44 4.24 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 1 C3'-C2'-C1' 105.223 4.137 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . 0.489 " H2'" ' CE1' ' C' ' 128' ' ' TYR . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-O3' 120.324 3.74 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.252 1 P-O3'-C3' 127.348 6.373 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-O3' 120.147 3.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.553 2.618 0 O4'-C1'-N19 112.118 3.918 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.622 3 O4'-C1'-N19 112.635 4.435 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 O4'-C1'-N19 111.177 2.977 . 0.19 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 O4'-C1'-N19 111.165 2.965 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 1 C4'-C3'-C2' 98.337 -4.363 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.474 0 O4'-C1'-N19 111.195 2.995 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C5'-C4'-O4' 113.118 2.799 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C5'-C4'-O4' 113.105 2.789 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 99.697 -3.003 . 0.326 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . 0.554 ' H22' ' H41' ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O5'-C5'-C4' 115.061 3.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 98.844 -3.856 . 0.222 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 O4'-C1'-N19 111.723 3.523 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.377 0 O4'-C1'-N19 112.039 3.839 . 0.079 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.013 0 O4'-C1'-N19 112.018 3.818 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.235 0 C4'-C3'-C2' 99.831 -2.869 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C4'-C3'-C2' 99.35 -3.35 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C5'-C4'-O4' 113.894 3.353 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.893 3.693 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 1 C4'-C3'-C2' 98.641 -4.059 . 0.393 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.281 2 P-O3'-C3' 125.325 4.688 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 C4'-C3'-C2' 99.693 -3.007 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.801 1 O4'-C1'-N19 114.882 6.682 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . 0.456 " H1'" ' C2 ' ' B' ' 15' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.835 0 C5'-C4'-O4' 113.808 3.292 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O3'-P-O5' 99.659 -2.285 . 0.357 2g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.557 0 C5'-C4'-O4' 114.178 3.555 . 0.693 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 111.685 3.485 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 0 O4'-C1'-N19 112.099 3.899 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 C4'-C3'-C2' 99.707 -2.993 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C4'-C3'-C2' 99.705 -2.995 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 O4'-C1'-N19 111.696 3.496 . 0.465 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 O4'-C1'-N19 111.708 3.508 OUTLIER-EPSILON 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.55 -4.736 1 P-O3'-C3' 131.433 9.777 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.259 -3.441 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C4'-C3'-C2' 99.63 -3.07 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 O4'-C1'-N19 111.606 3.406 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 O4'-C1'-N19 111.605 3.405 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.564 -0.161 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -142.04 144.45 33.61 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.064 1.346 . . . . 0.0 110.338 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.27 168.67 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.774 1.63 . . . . 0.0 111.585 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.32 147.47 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.094 1.358 . . . . 0.0 112.526 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 95.2 p -152.55 168.31 25.99 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.744 1.218 . . . . 0.0 112.701 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.8 -155.73 23.56 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 125.099 1.333 . . . . 0.0 112.497 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -142.46 155.66 45.1 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.288 1.435 . . . . 0.0 111.186 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -51.41 140.32 17.76 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.531 1.532 . . . . 0.0 112.688 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -146.32 148.52 32.49 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.987 1.715 . . . . 0.0 109.847 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -149.12 166.8 27.7 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.003 1.321 . . . . 0.0 112.591 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -151.24 -176.21 5.47 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.869 1.668 . . . . 0.0 111.998 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -129.98 164.72 23.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.508 1.523 . . . . 0.0 111.374 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 167.06 171.95 33.74 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.24 1.4 . . . . 0.0 113.16 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.76 177.2 36.38 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.672 1.13 . . . . 0.0 113.413 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -150.02 147.6 28.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.676 1.19 . . . . 0.0 110.964 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -76.25 2.7 12.52 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -53.21 -25.64 14.73 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -72.78 87.4 1.28 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.954 1.701 . . . . 0.0 111.29 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 39.5 m 45.71 38.27 4.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.61 1.564 . . . . 0.0 115.078 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 58.35 29.2 17.81 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.282 1.833 . . . . 0.0 115.063 -178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.55 170.95 9.67 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.088 0.955 . . . . 0.0 110.806 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -133.94 146.96 50.98 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.349 1.46 . . . . 0.0 107.788 173.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -75.09 17.36 0.24 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.787 -1.196 . . . . 0.0 113.887 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -131.48 9.07 4.66 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 128.457 2.703 . . . . 0.0 111.269 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -117.3 141.82 47.84 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.164 1.385 . . . . 0.0 110.8 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.4 t -73.61 127.62 33.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.838 1.255 . . . . 0.0 112.843 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.75 8.47 14.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 128' ' ' TYR . . . . . 0.489 ' CE1' " H2'" ' B' ' 34' ' ' ' A' . 41.5 t80 -114.31 -35.03 5.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 114.021 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.38 -5.92 5.35 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 80.7 mttt 78.38 -5.59 2.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.401 2.681 . . . . 0.0 115.801 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -65.55 159.86 23.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.03 1.286 . . . . 0.0 112.37 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -114.42 146.54 40.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.566 1.146 . . . . 0.0 112.034 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 112.9 -3.21 25.78 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.672 2.082 . . . . 0.0 113.622 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -157.43 -179.89 8.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.067 1.747 . . . . 0.0 111.998 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -120.29 166.8 13.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.077 2.151 . . . . 0.0 109.51 176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.1 21.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.482 1.113 . . . . 0.0 112.413 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -49.11 -29.09 4.82 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.798 2.439 . . . . 0.0 113.996 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -129.35 18.03 5.92 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.195 2.198 . . . . 0.0 112.812 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 40.1 t -57.65 128.03 79.17 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.56 -13.14 32.41 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.72 2.28 . . . . 0.0 112.552 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -87.1 -14.05 42.47 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.029 1.732 . . . . 0.0 112.733 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -69.36 159.19 84.47 Favored Pre-proline 0 N--CA 1.48 1.073 0 C-N-CA 123.793 0.837 . . . . 0.0 110.946 175.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.25 -24.19 3.57 Favored 'Trans proline' 0 CA--C 1.545 1.042 1 C-N-CA 125.322 4.014 . . . . 0.0 116.839 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 53.14 35.85 20.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.059 2.143 . . . . 0.0 115.181 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -175.15 168.35 40.85 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 123.951 0.786 . . . . 0.0 114.649 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -78.72 150.17 86.51 Favored 'Cis proline' 0 CA--C 1.541 0.829 0 CA-C-N 117.763 0.781 . . . . 0.0 112.323 26.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -141.83 34.32 1.59 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.643 1.177 . . . . 0.0 113.538 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 178.25 -179.72 48.46 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.002 1.287 . . . . 0.0 113.8 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.07 177.46 7.76 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.043 3.162 . . . . 0.0 112.853 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -52.71 152.7 6.48 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 125.724 1.609 . . . . 0.0 112.074 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.11 -21.47 65.85 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.098 2.532 . . . . 0.0 114.776 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -76.4 -5.63 48.12 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.29 1.436 . . . . 0.0 113.106 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 54.5 m -138.25 168.36 19.9 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.076 1.75 . . . . 0.0 111.26 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 12.4 t -146.98 159.69 43.25 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.133 1.373 . . . . 0.0 111.147 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 58.6 tp -151.05 141.48 22.47 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.512 1.525 . . . . 0.0 110.786 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 126.943 2.097 . . . . 0.0 113.089 179.501 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.601 0.239 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 p -70.09 162.68 27.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.72 1.208 . . . . 0.0 112.715 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.44 151.46 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.304 1.442 . . . . 0.0 110.836 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.54 164.78 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.957 1.703 . . . . 0.0 111.367 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -131.53 0.27 4.01 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.181 1.393 . . . . 0.0 114.518 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 175.85 177.03 44.56 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.038 1.304 . . . . 0.0 113.187 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -143.74 163.43 33.32 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.018 1.727 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -139.61 158.39 44.19 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.781 1.632 . . . . 0.0 111.633 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -134.98 13.47 3.61 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.689 1.596 . . . . 0.0 112.744 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -149.65 161.58 41.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.623 1.569 . . . . 0.0 111.46 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -151.69 179.35 8.48 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.636 1.574 . . . . 0.0 112.942 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -135.22 149.59 49.92 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.441 1.496 . . . . 0.0 111.133 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.8 157.23 10.83 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.787 1.661 . . . . 0.0 112.734 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.78 17.22 0.03 OUTLIER Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.977 1.551 . . . . 0.0 116.977 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -137.78 179.88 6.16 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.959 1.704 . . . . 0.0 111.431 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -125.07 155.63 39.51 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.243 1.817 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -69.74 82.42 0.44 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.821 1.648 . . . . 0.0 111.116 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -133.08 171.78 13.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.407 2.283 . . . . 0.0 111.64 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 m -137.27 165.98 24.86 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.282 1.833 . . . . 0.0 110.77 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -56.29 129.62 41.13 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.693 0.797 . . . . 0.0 111.957 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 mt -146.53 162.48 38.24 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.848 1.659 . . . . 0.0 111.581 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -143.21 158.68 43.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.258 2.623 . . . . 0.0 107.078 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -69.1 5.62 1.15 Allowed 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -126.6 18.47 7.43 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.808 2.043 . . . . 0.0 112.183 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -121.78 139.59 53.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.838 1.255 . . . . 0.0 112.073 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.48 126.82 30.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.648 1.579 . . . . 0.0 114.369 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.84 -15.98 63.19 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.053 -1.03 . . . . 0.0 113.439 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -93.68 -62.18 1.41 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.37 -10.21 24.11 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.273 12.0 mptt 72.51 6.82 5.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.832 2.453 . . . . 0.0 115.236 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.11 165.22 22.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.516 1.053 . . . . 0.0 111.266 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -103.06 162.32 13.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.953 1.301 . . . . 0.0 113.89 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.42 0.21 73.57 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 126.116 1.817 . . . . 0.0 115.106 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -158.97 177.49 11.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.242 1.417 . . . . 0.0 112.514 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -114.85 166.14 12.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.997 2.119 . . . . 0.0 109.372 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.84 39.24 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.5 0.72 . . . . 0.0 112.867 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -51.28 -25.94 6.56 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.982 2.113 . . . . 0.0 114.267 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -128.24 18.15 6.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.838 1.655 . . . . 0.0 113.322 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.88 124.96 46.09 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -178.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.11 -23.29 68.36 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 123.522 2.814 . . . . 0.0 114.331 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -95.28 17.09 15.03 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.349 1.86 . . . . 0.0 112.844 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -135.4 142.83 42.86 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 126.831 2.053 . . . . 0.0 110.061 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.72 140.12 38.06 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.371 2.714 . . . . 0.0 113.839 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -142.93 161.67 37.51 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 126.053 1.741 . . . . 0.0 111.903 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.74 -41.77 96.06 Favored Glycine 0 CA--C 1.543 1.806 0 CA-C-O 117.877 -1.513 . . . . 0.0 115.95 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -59.57 -21.36 2.7 Favored 'Cis proline' 0 CA--C 1.543 0.954 0 CA-C-N 119.868 1.834 . . . . 0.0 114.629 -29.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -59.96 152.78 22.83 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.492 1.517 . . . . 0.0 113.143 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.59 -176.95 43.97 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 124.637 1.113 . . . . 0.0 113.713 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.0 170.66 17.52 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.001 3.134 . . . . 0.0 112.768 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.48 153.44 62.26 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 125.589 1.555 . . . . 0.0 112.425 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.87 162.74 41.57 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.393 2.728 . . . . 0.0 113.037 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -146.42 -24.45 0.43 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.36 1.064 . . . . 0.0 113.859 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m 59.28 13.19 2.95 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 126.073 1.749 . . . . 0.0 114.541 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 t -161.19 159.47 28.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.343 1.857 . . . . 0.0 110.417 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 125.288 1.435 . . . . 0.0 110.649 179.272 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 C4'-C3'-C2' 99.582 -3.118 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.764 -2.936 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.431 3.231 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 O4'-C1'-N19 112.07 3.87 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.25 1 O4'-C1'-N19 113.189 4.989 . 0.565 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.614 0 C3'-C2'-C1' 104.899 3.776 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 O4'-C1'-N19 112.391 4.191 . 0.442 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C5'-C4'-C3' 109.973 -3.685 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.671 2 O4'-C1'-N19 113.453 5.253 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5q' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.633 1 O4'-C1'-N19 112.966 4.766 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 1 O4'-C1'-N19 112.609 4.409 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 1 O4'-C1'-N19 112.368 4.168 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.319 0 O4'-C1'-N19 110.588 2.388 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.119 -3.581 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.66 0 O4'-C1'-N19 111.593 3.393 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.814 0 O4'-C1'-N19 111.079 2.879 OUTLIER-DELTA 0.0 OUTLIER '7D dist 3d' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.426 " H2'" ' C2 ' ' B' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C3'-C2'-C1' 104.558 3.397 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.724 0 C3'-C2'-C1' 104.972 3.858 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.378 0 N19-C1'-C2' 118.12 2.95 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.431 0 C4'-C3'-C2' 99.129 -3.571 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.05 2 C4'-C3'-C2' 97.692 -5.008 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.357 1 O4'-C1'-N19 112.449 4.249 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.812 0 O4'-C1'-N19 110.914 2.714 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.844 2 O4'-C1'-N19 114.01 5.81 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.587 2 O4'-C1'-N19 112.423 4.223 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 O4'-C1'-N19 111.659 3.459 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.9 3.7 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.242 -3.458 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C5'-C4'-O4' 112.18 2.128 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C3'-C2'-C1' 103.818 2.575 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.657 -3.043 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 O4'-C1'-N19 112.096 3.896 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.693 0 O5'-C5'-C4' 115.538 3.813 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 1 C5'-C4'-O4' 115.525 4.518 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.464 1 C4'-C3'-O3' 121.285 4.11 OUTLIER-EPSILON 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 P-O3'-C3' 125.307 4.673 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 C4'-C3'-C2' 98.969 -3.731 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . 0.414 " H2'" ' C6 ' ' B' ' 40' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.964 -2.736 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . 0.414 ' C6 ' " H2'" ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C4'-C3'-C2' 99.981 -2.719 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.968 1 C4'-C3'-C2' 97.917 -4.783 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.396 0 C5'-C4'-O4' 113.606 3.147 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C5'-C4'-O4' 113.028 2.734 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 2 C4'-C3'-C2' 98.441 -4.259 . 0.368 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.492 -3.208 . 0.179 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 O4'-C4'-C3' 109.233 2.666 . 0.455 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 C3'-C2'-C1' 104.276 3.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.949 1 O4'-C1'-N19 112.492 4.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 0 P-O3'-C3' 124.471 3.976 . 0.01 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 2 C4'-C3'-C2' 98.444 -4.256 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.938 0 O4'-C1'-N19 111.864 3.664 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 0 C4'-C3'-C2' 99.941 -2.759 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 C5'-C4'-O4' 113.437 3.027 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O4'-C1'-N19 111.602 3.402 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 110.236 2.036 . 0.463 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.505 1 O4'-C1'-N19 112.738 4.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . 0.426 ' C2 ' " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C5'-C4'-C3' 111.99 -2.34 . 0.387 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.948 1 O4'-C1'-N19 112.69 4.49 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.294 0 C5'-C4'-O4' 113.454 3.039 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.297 0 N19-C1'-C2' 116.897 2.185 . 0.01 2g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.849 1 O5'-C5'-C4' 117.995 5.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 110.973 2.773 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 C4'-C3'-C2' 99.915 -2.785 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 100.178 -2.522 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.041 0 O4'-C1'-N19 111.777 3.577 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 2 O4'-C1'-N19 112.635 4.435 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C5'-C4'-C3' 110.039 -3.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.011 0 C4'-C3'-C2' 99.283 -3.417 . 0.159 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 99.781 -2.919 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C4'-C3'-C2' 99.675 -3.025 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 111.635 3.435 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.265 0 O4'-C1'-N19 111.728 3.528 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 10.2 t -144.9 -24.08 0.5 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 10.9 p -150.52 153.12 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.569 1.547 . . . . 0.0 110.498 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 24.4 m -141.57 160.8 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.696 1.599 . . . . 0.0 111.715 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -156.15 174.25 15.64 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.609 1.564 . . . . 0.0 111.236 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 163.37 -21.26 0.16 Allowed Glycine 0 CA--C 1.537 1.457 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -60.35 131.9 52.23 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.64 1.22 . . . . 0.0 112.109 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -155.28 159.62 40.16 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.922 1.689 . . . . 0.0 111.925 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -138.13 164.25 29.61 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.67 1.588 . . . . 0.0 111.791 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -136.81 156.47 48.46 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.35 1.46 . . . . 0.0 111.109 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -82.09 -20.01 39.0 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -159.15 171.18 20.4 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.92 2.088 . . . . 0.0 109.698 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.86 164.12 26.83 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.592 1.568 . . . . 0.0 111.788 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.08 177.62 40.49 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.466 1.031 . . . . 0.0 113.571 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.54 162.48 35.74 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.895 1.678 . . . . 0.0 111.185 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -112.46 -178.98 3.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.913 1.685 . . . . 0.0 111.81 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -49.35 153.9 0.97 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 45.25 36.93 2.43 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 127.208 2.203 . . . . 0.0 113.349 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 26.7 m 48.43 26.71 1.21 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.691 1.997 . . . . 0.0 113.648 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 50.56 30.71 4.97 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.483 1.913 . . . . 0.0 113.23 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 52.8 mt 38.49 88.07 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.27 2.628 . . . . 0.0 114.101 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -66.3 132.38 48.23 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 106.276 -1.749 . . . . 0.0 106.276 172.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -63.17 -3.38 1.78 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -171.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.65 -11.82 28.54 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.981 1.312 . . . . 0.0 113.06 173.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -87.7 172.36 9.75 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.142 1.777 . . . . 0.0 114.238 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.76 126.82 52.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.244 1.818 . . . . 0.0 110.499 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.12 -2.67 19.43 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -109.78 -40.05 4.92 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.91 1.232 . . . . 0.0 114.305 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.9 -4.28 9.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 84.0 mttt 72.97 2.01 4.23 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.945 2.098 . . . . 0.0 115.129 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.29 176.68 1.7 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.362 0.983 . . . . 0.0 111.091 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -124.65 157.74 34.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.991 1.317 . . . . 0.0 113.001 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.42 66.86 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.752 1.644 . . . . 0.0 114.628 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -154.92 165.1 37.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.165 1.786 . . . . 0.0 111.002 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -106.3 169.08 8.72 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.701 1.6 . . . . 0.0 110.751 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.61 -41.0 54.36 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.026 0.93 . . . . 0.0 112.926 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -58.0 -13.89 5.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.197 1.799 . . . . 0.0 114.623 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.41 11.69 4.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.929 2.092 . . . . 0.0 112.173 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 33.7 t -56.94 124.06 62.78 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 124.612 1.165 . . . . 0.0 112.758 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -70.73 -6.6 19.44 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.214 2.609 . . . . 0.0 113.289 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -113.32 -5.89 13.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.815 1.646 . . . . 0.0 113.206 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -83.87 134.65 43.8 Favored Pre-proline 0 N--CA 1.476 0.865 0 CA-C-N 119.405 1.002 . . . . 0.0 111.914 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -75.5 172.28 16.62 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 123.62 2.88 . . . . 0.0 112.957 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.61 159.97 6.02 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.379 1.872 . . . . 0.0 113.492 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.7 -165.01 2.73 Favored Glycine 0 CA--C 1.546 1.981 0 C-N-CA 125.959 1.743 . . . . 0.0 115.084 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -58.2 -25.41 1.89 Allowed 'Cis proline' 0 C--N 1.352 0.733 0 N-CA-C 115.467 1.295 . . . . 0.0 115.467 -23.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -135.84 152.15 50.77 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.317 2.247 . . . . 0.0 109.339 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.99 52.21 0.36 Allowed Glycine 0 CA--C 1.537 1.468 0 N-CA-C 116.586 1.394 . . . . 0.0 116.586 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.91 174.13 12.86 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 123.394 2.73 . . . . 0.0 112.409 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -120.66 73.67 23.56 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 126.767 2.027 . . . . 0.0 111.458 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -81.61 34.66 0.56 Allowed 'Trans proline' 0 CA--C 1.551 1.355 1 C-N-CA 125.343 4.029 . . . . 0.0 114.181 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.34 152.44 21.17 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.8 -1.187 . . . . 0.0 113.903 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 43.5 p -136.45 -5.06 2.04 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 21.7 m -135.86 23.6 3.34 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.88 1.272 . . . . 0.0 113.669 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 95.2 mt -136.9 160.47 38.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.687 1.595 . . . . 0.0 111.869 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--O 1.241 0.638 0 C-N-CA 125.056 1.342 . . . . 0.0 112.423 178.754 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.634 0.254 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.1 p -140.9 168.17 20.43 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.816 1.647 . . . . 0.0 111.712 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.7 p -148.37 150.4 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.407 1.483 . . . . 0.0 110.57 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.45 163.83 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 125.778 1.631 . . . . 0.0 111.848 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -153.35 167.13 30.44 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.532 1.533 . . . . 0.0 111.109 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.45 177.16 48.17 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.637 1.113 . . . . 0.0 113.878 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -133.85 29.43 3.8 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.625 1.57 . . . . 0.0 112.353 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -134.17 17.31 3.76 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.489 1.515 . . . . 0.0 113.74 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -137.28 10.45 3.0 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.076 1.75 . . . . 0.0 112.706 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -65.16 156.59 31.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.786 1.634 . . . . 0.0 113.347 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -156.35 167.54 30.12 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.656 1.582 . . . . 0.0 112.628 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -156.54 166.94 31.95 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.951 1.7 . . . . 0.0 111.509 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.52 166.07 29.14 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.294 0.95 . . . . 0.0 114.471 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.21 179.45 48.9 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.654 1.121 . . . . 0.0 114.601 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -151.65 -30.71 0.16 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.944 1.298 . . . . 0.0 112.993 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -144.95 178.28 8.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.716 2.006 . . . . 0.0 111.399 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -44.66 146.3 0.77 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.138 1.775 . . . . 0.0 114.636 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 49.12 30.51 3.0 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 126.508 1.923 . . . . 0.0 112.787 -175.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m 48.03 30.32 2.02 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.846 2.058 . . . . 0.0 114.1 -176.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 53.26 35.68 20.72 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.06 1.744 . . . . 0.0 113.947 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt -57.2 152.44 13.72 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.811 1.245 . . . . 0.0 113.625 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -154.45 167.35 30.33 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.622 1.969 . . . . 0.0 108.786 174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -65.91 11.04 0.08 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.903 2.481 . . . . 0.0 114.973 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -128.76 13.07 6.36 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.646 1.979 . . . . 0.0 113.636 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -124.87 164.96 18.93 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.598 1.159 . . . . 0.0 113.644 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -98.46 131.5 44.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.503 1.521 . . . . 0.0 111.579 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.59 -10.33 59.44 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.27 -32.58 6.23 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.372 2.36 . . . . 0.0 117.372 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 -2.66 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER 76.43 -3.49 2.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 128.613 2.765 . . . . 0.0 115.425 178.523 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.25 173.14 2.11 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.31 163.5 18.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.247 2.219 . . . . 0.0 111.826 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.94 -6.68 65.58 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.647 1.118 . . . . 0.0 114.894 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -149.59 169.34 21.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.947 1.699 . . . . 0.0 110.782 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -120.44 166.66 13.27 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.776 1.63 . . . . 0.0 110.201 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -45.81 -37.64 6.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.505 1.122 . . . . 0.0 113.919 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -56.36 -22.55 31.84 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.907 1.683 . . . . 0.0 115.074 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.49 10.78 9.19 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.615 1.966 . . . . 0.0 112.166 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 36' ' ' ALA . 50.0 t -60.74 133.19 91.77 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.712 1.205 . . . . 0.0 113.411 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -66.86 -16.83 51.03 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 122.369 2.046 . . . . 0.0 112.352 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -85.56 -14.75 44.86 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.563 1.545 . . . . 0.0 113.303 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -98.05 151.3 37.48 Favored Pre-proline 0 N--CA 1.481 1.11 0 CA-C-N 119.693 1.133 . . . . 0.0 113.949 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.69 174.24 12.08 Favored 'Trans proline' 0 CA--C 1.547 1.173 0 C-N-CA 124.143 3.229 . . . . 0.0 111.812 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -146.73 151.63 37.5 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.049 1.34 . . . . 0.0 112.022 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.63 175.8 38.17 Favored Glycine 0 CA--C 1.544 1.877 0 C-N-CA 126.34 1.924 . . . . 0.0 112.218 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.36 169.66 47.38 Favored 'Cis proline' 0 CA--C 1.538 0.71 0 CA-C-N 118.797 1.299 . . . . 0.0 113.67 28.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -122.94 45.54 2.38 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.082 1.753 . . . . 0.0 112.535 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.34 164.85 36.36 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.692 2.092 . . . . 0.0 111.384 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.99 171.76 16.02 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.47 2.78 . . . . 0.0 112.875 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -128.96 69.53 80.86 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 125.477 1.511 . . . . 0.0 110.196 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.6 140.47 36.41 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 124.239 3.293 . . . . 0.0 115.55 -176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -146.21 170.63 16.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.063 2.145 . . . . 0.0 110.289 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 p -136.84 156.11 48.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.2 1.4 . . . . 0.0 112.148 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.2 p -140.81 3.75 1.86 Allowed 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 125.602 1.561 . . . . 0.0 111.269 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.134 0 C4'-C3'-C2' 99.535 -3.165 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C4'-C3'-C2' 99.464 -3.236 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 O4'-C1'-N19 111.921 3.721 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.705 3.505 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 O4'-C1'-N19 111.31 3.11 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 O4'-C1'-N19 111.462 3.262 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.278 0 O4'-C1'-N19 112.098 3.898 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.827 2 O5'-C5'-C4' 117.07 4.907 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.332 1 O4'-C1'-N19 113.323 5.123 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.002 1 C5'-C4'-C3' 109.224 -4.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 O4'-C1'-N19 111.893 3.693 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 112.666 4.466 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.347 0 O4'-C1'-N19 111.667 3.467 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C4'-C3'-C2' 99.43 -3.27 . 0.076 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.398 1 C3'-C2'-C1' 105.169 4.077 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 1 O4'-C1'-N19 115.579 7.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.608 0 C5'-C4'-C3' 110.433 -3.378 . 0.406 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 1 C3'-C2'-C1' 105.516 4.462 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 C3'-C2'-C1' 104.762 3.624 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.274 0 O5'-C5'-C4' 115.598 3.856 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.011 2 C4'-C3'-C2' 97.282 -5.418 . 0.345 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.348 1 O4'-C1'-N19 112.772 4.572 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 C5'-C4'-C3' 111.72 -2.52 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 99.134 -3.566 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 1 O4'-C1'-N19 112.459 4.259 . 0.217 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 O4'-C1'-N19 111.923 3.723 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 111.299 3.099 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.616 -3.084 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 100.366 -2.334 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.436 -3.264 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 O4'-C1'-N19 111.632 3.432 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 O4'-C1'-N19 111.944 3.744 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.631 0 C5'-C4'-O4' 114.144 3.531 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.833 1 O4'-C1'-N19 113.132 4.932 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.255 2 P-O3'-C3' 125.724 5.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . 0.636 ' H21' ' HA ' ' C' ' 123' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O5'-C5'-C4' 115.758 3.97 OUTLIER-DELTA 0.01 3d . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C3'-C2'-C1' 104.724 3.583 . 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C4'-C3' 108.605 2.218 . 0.154 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C5'-C4'-O4' 113.34 2.957 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 1 C4'-C3'-C2' 98.209 -4.491 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.359 0 C5'-C4'-O4' 113.441 3.029 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C5'-C4'-O4' 112.263 2.188 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 C4'-C3'-C2' 99.591 -3.109 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O5'-C5'-C4' 115.351 3.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C2'-C3'-O3' 119.413 3.005 . 0.738 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 P-O3'-C3' 123.293 2.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.631 0 P-O3'-C3' 123.089 2.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.529 1 O4'-C1'-N19 112.281 4.081 . 0.012 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 O4'-C1'-N19 111.889 3.689 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.173 0 C4'-C3'-C2' 99.656 -3.044 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.268 0 C4'-C3'-C2' 99.87 -2.83 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 C5'-C4'-O4' 113.48 3.057 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 1 O4'-C1'-N19 112.582 4.382 . 0.479 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 N19-C1'-C2' 116.507 1.942 . 0.387 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.524 1 O4'-C1'-N19 112.548 4.348 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.671 1 C5'-C4'-O4' 115.128 4.234 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.462 1 O4'-C1'-N19 112.217 4.017 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.665 1 O4'-C1'-N19 113.382 5.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.514 0 C4'-C3'-O3' 118.07 2.873 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.266 0 P-O3'-C3' 123.719 3.349 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.059 0 O4'-C1'-N19 111.414 3.214 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.066 0 O4'-C1'-N19 111.685 3.485 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 O4'-C1'-N19 110.653 2.453 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 C4'-C3'-C2' 100.424 -2.276 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.169 0 O4'-C1'-N19 110.535 2.335 . 0.01 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C3'-C2'-C1' 104.388 3.209 . 0.247 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.859 0 P-O3'-C3' 124.082 3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 99.938 -2.762 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C4'-C3'-C2' 99.761 -2.939 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 111.783 3.583 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 O4'-C1'-N19 111.713 3.513 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.422 0.154 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 36.0 p -109.06 -9.15 15.08 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.294 1.438 . . . . 0.0 114.253 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.15 137.58 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.471 1.908 . . . . 0.0 110.066 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.29 7.92 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -144.87 171.73 14.02 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.48 1.112 . . . . 0.0 112.208 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 171.26 -161.36 33.87 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 126.269 1.89 . . . . 0.0 111.936 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -46.38 145.16 1.82 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.13 2.172 . . . . 0.0 113.761 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -136.14 162.44 32.94 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.316 1.446 . . . . 0.0 111.535 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -148.62 -17.05 0.32 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.0 144.23 48.9 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.024 1.33 . . . . 0.0 112.559 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -144.51 163.91 32.46 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.202 1.801 . . . . 0.0 111.761 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -134.53 12.36 3.77 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.482 1.513 . . . . 0.0 113.823 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.38 178.09 48.14 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.678 1.609 . . . . 0.0 112.552 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.6 -178.53 48.38 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.187 0.899 . . . . 0.0 113.896 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -148.4 173.54 12.97 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.702 1.601 . . . . 0.0 111.504 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -143.59 -27.69 0.54 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.051 1.341 . . . . 0.0 112.966 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 47.23 34.64 3.19 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.292 1.837 . . . . 0.0 115.127 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 29.0 mmt-85 -83.01 168.17 17.22 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.184 2.194 . . . . 0.0 111.669 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.6 m -52.34 107.11 0.18 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.321 1.448 . . . . 0.0 111.206 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 50.57 39.67 21.8 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.543 1.537 . . . . 0.0 113.115 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -155.86 128.91 8.06 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.442 1.097 . . . . 0.0 113.212 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -140.37 159.02 43.12 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.541 1.536 . . . . 0.0 107.39 169.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ARG . . . . . 0.636 ' HA ' ' H21' ' B' ' 37' ' ' ' G' . 56.5 mtt85 -60.14 12.28 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 127.851 2.46 . . . . 0.0 116.873 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -122.15 4.26 9.81 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.638 1.975 . . . . 0.0 114.415 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -136.44 131.22 33.79 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.371 -1.456 . . . . 0.0 113.268 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.46 129.86 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.476 -1.39 . . . . 0.0 113.383 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.95 -27.29 60.13 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.513 -0.742 . . . . 0.0 112.525 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -78.27 -39.04 41.26 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.0 -5.16 6.23 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.256 70.6 mmtt 71.18 5.2 5.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.038 2.135 . . . . 0.0 115.666 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.08 141.1 54.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.064 1.302 . . . . 0.0 111.289 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -87.5 143.05 27.41 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.436 1.094 . . . . 0.0 111.679 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 110.11 -8.3 31.18 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.332 1.444 . . . . 0.0 116.505 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -151.22 178.4 9.28 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.232 1.516 . . . . 0.0 112.87 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -118.5 156.54 28.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.849 2.06 . . . . 0.0 110.909 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 136' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' C' ' 139' ' ' CYS . . . -50.24 -39.35 44.52 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.849 1.66 . . . . 0.0 113.122 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.18 -22.36 6.44 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.699 1.6 . . . . 0.0 113.506 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -131.82 15.93 4.78 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.03 2.132 . . . . 0.0 113.112 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 139' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' C' ' 136' ' ' ALA . 31.5 t -56.37 132.39 76.21 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.788 1.235 . . . . 0.0 113.801 -177.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.01 -9.15 24.19 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.254 2.636 . . . . 0.0 112.515 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -107.74 2.17 23.52 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.369 2.268 . . . . 0.0 112.234 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.08 80.62 70.6 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.659 1.583 . . . . 0.0 110.815 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.69 162.0 1.14 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.738 3.625 . . . . 0.0 116.457 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -95.97 35.92 1.36 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.475 1.91 . . . . 0.0 111.771 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 177.34 179.77 47.76 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.757 1.646 . . . . 0.0 113.314 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -81.11 158.54 83.58 Favored 'Cis proline' 0 CA--C 1.54 0.813 0 CA-C-N 118.194 0.997 . . . . 0.0 112.729 27.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -143.54 32.66 1.3 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.265 1.426 . . . . 0.0 113.999 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 179.3 175.06 45.92 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.494 1.521 . . . . 0.0 113.39 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.67 166.21 30.54 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.995 3.13 . . . . 0.0 112.863 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -63.24 157.05 65.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.693 1.197 . . . . 0.0 112.161 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.87 19.1 0.29 Allowed 'Trans proline' 0 CA--C 1.551 1.35 0 C-N-CA 124.429 3.419 . . . . 0.0 116.054 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -149.0 169.78 19.84 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.047 1.739 . . . . 0.0 111.335 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 32.2 p -60.47 162.2 6.59 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.592 1.157 . . . . 0.0 113.092 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 15.7 t -153.31 167.41 29.46 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.882 1.273 . . . . 0.0 111.863 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 96.6 mt -126.64 4.56 6.77 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.623 1.969 . . . . 0.0 112.436 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.473 0.716 0 C-N-CA 127.242 2.217 . . . . 0.0 113.138 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.36 0.124 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 m -140.39 145.94 37.72 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.32 1.448 . . . . 0.0 110.363 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.51 162.4 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.63 1.572 . . . . 0.0 111.877 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.86 159.65 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.971 1.709 . . . . 0.0 110.369 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -146.7 162.25 38.89 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.921 1.288 . . . . 0.0 111.892 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.94 -175.09 47.03 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.449 1.499 . . . . 0.0 113.202 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -140.86 162.32 35.72 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.475 1.51 . . . . 0.0 112.187 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -132.05 3.63 4.05 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.629 1.572 . . . . 0.0 113.801 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.23 153.21 43.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.37 1.068 . . . . 0.0 112.469 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.65 172.37 11.62 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.118 1.367 . . . . 0.0 113.236 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -141.51 127.36 19.29 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.911 1.284 . . . . 0.0 111.38 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -72.35 149.51 44.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.489 1.115 . . . . 0.0 110.26 176.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.99 173.76 32.57 Favored Glycine 0 CA--C 1.534 1.241 0 O-C-N 121.538 -0.727 . . . . 0.0 114.76 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.3 -153.56 23.47 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.852 1.691 . . . . 0.0 111.676 -178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -140.24 148.75 41.96 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.582 -0.952 . . . . 0.0 111.262 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -138.54 172.53 12.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.353 2.261 . . . . 0.0 109.738 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -125.51 136.08 52.96 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.27 1.428 . . . . 0.0 109.906 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -72.86 154.3 40.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.596 1.158 . . . . 0.0 112.2 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.8 m -128.59 -172.76 2.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.042 2.137 . . . . 0.0 109.459 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -55.89 112.78 1.27 Allowed 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.97 -1.081 . . . . 0.0 111.613 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.8 mt -139.45 149.6 44.22 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.695 1.998 . . . . 0.0 109.096 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 24' ' ' ASP . 11.8 m-20 -143.29 156.03 44.62 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 126.46 1.904 . . . . 0.0 107.534 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -75.41 22.1 0.13 Allowed 'General case' 0 N--CA 1.484 1.266 0 O-C-N 120.704 -1.247 . . . . 0.0 112.994 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 22' ' ' ASP . 19.6 m-20 -133.47 10.22 4.05 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 129.201 3.001 . . . . 0.0 111.438 175.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -130.37 138.64 50.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.243 1.417 . . . . 0.0 111.8 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.87 131.17 44.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.382 1.473 . . . . 0.0 112.957 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.57 -13.35 60.35 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -100.92 -32.98 10.39 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.88 -3.94 8.12 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 72.01 -0.41 3.23 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.504 2.322 . . . . 0.0 115.073 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.57 159.26 30.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.476 1.035 . . . . 0.0 111.848 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -109.23 154.89 21.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.939 1.296 . . . . 0.0 112.109 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.23 56.9 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.484 1.516 . . . . 0.0 114.505 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -152.02 179.1 8.77 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.658 1.583 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -121.18 161.91 21.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.442 1.897 . . . . 0.0 109.726 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -33.68 22.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.235 1.014 . . . . 0.0 113.406 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -50.42 -29.5 10.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.365 1.866 . . . . 0.0 113.407 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -127.09 19.52 7.01 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.407 1.883 . . . . 0.0 112.977 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t -54.54 129.24 62.27 Favored Pre-proline 0 CA--C 1.553 1.084 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.24 -18.01 39.66 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.843 2.362 . . . . 0.0 113.151 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -74.95 -20.91 59.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.74 0.816 . . . . 0.0 111.956 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 151.72 65.42 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 124.189 0.996 . . . . 0.0 112.156 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -75.64 40.19 0.69 Allowed 'Trans proline' 0 CA--C 1.553 1.456 0 C-N-CA 125.025 3.817 . . . . 0.0 112.777 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -54.45 149.29 10.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.824 2.05 . . . . 0.0 114.134 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.63 -174.36 30.36 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 126.86 2.171 . . . . 0.0 112.366 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.73 136.03 37.06 Favored 'Cis proline' 0 CA--C 1.537 0.662 0 CA-C-N 118.945 1.372 . . . . 0.0 111.753 28.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -160.22 141.66 12.48 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.755 1.622 . . . . 0.0 110.876 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.9 54.94 0.03 OUTLIER Glycine 0 CA--C 1.539 1.567 0 CA-C-O 118.376 -1.235 . . . . 0.0 115.195 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -70.12 155.19 65.33 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.003 2.469 . . . . 0.0 112.381 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -138.6 71.18 44.55 Favored Pre-proline 0 N--CA 1.481 1.109 0 C-N-CA 125.584 1.554 . . . . 0.0 111.395 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.74 144.48 53.83 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.788 2.992 . . . . 0.0 114.004 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -154.39 149.66 27.08 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.258 1.423 . . . . 0.0 110.678 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 p -136.03 168.44 19.36 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.019 1.728 . . . . 0.0 111.089 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.8 t -155.93 160.35 40.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.085 1.354 . . . . 0.0 111.092 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 126.166 1.786 . . . . 0.0 110.266 -179.804 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.171 0 C4'-C3'-C2' 99.527 -3.173 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C4'-C3'-C2' 99.48 -3.22 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 111.853 3.653 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.866 3.666 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 0 O4'-C1'-N19 112.004 3.804 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 1 O4'-C1'-N19 113.023 4.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.453 0 O5'-C5'-C4' 115.452 3.751 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.958 0 C5'-C4'-C3' 110.697 -3.202 . 0.09 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.124 1 C5'-C4'-C3' 109.432 -4.045 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.577 1 C5'-C4'-C3' 109.296 -4.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 1 O4'-C1'-N19 112.26 4.06 . 0.3 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 1 O4'-C1'-N19 112.488 4.288 . 0.329 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.512 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.537 2.053 0 C5'-C4'-O4' 114.378 3.698 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . 0.512 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C4'-C3'-C2' 100.247 -2.453 . 0.301 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C5'-C4'-C3' 111.882 -2.412 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C5'-C4'-O4' 113.358 2.97 . 0.01 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C3'-C2'-C1' 104.614 3.46 . 0.249 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.561 2 C3'-C2'-C1' 105.624 4.582 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.593 0 O5'-C5'-C4' 114.67 3.193 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 O5'-C5'-C4' 115.334 3.667 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.196 2 C4'-C3'-C2' 97.705 -4.995 . 0.437 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.353 0 O4'-C1'-N19 112.077 3.877 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C5'-C4'-C3' 110.845 -3.103 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 1 C4'-C3'-C2' 97.945 -4.755 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 1 O4'-C1'-N19 112.504 4.304 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O4'-C1'-N19 111.13 2.93 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 98.751 -3.949 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.131 1 O4'-C1'-N19 112.383 4.183 . 0.635 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 110.709 2.509 . 0.618 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C3'-C2'-C1' 105.1 4.0 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 1 O4'-C1'-N19 112.463 4.263 . 0.456 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 112.036 3.836 OUTLIER-EPSILON 0.397 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 1 P-O3'-C3' 126.694 5.828 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . 0.437 ' C6 ' ' HE2' ' C' ' 142' ' ' LYS . . . . . . . . 0 C5'--C4' 1.541 2.383 1 O4'-C1'-N19 112.699 4.499 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.878 1 O4'-C1'-N19 112.302 4.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.428 0 C3'-C2'-C1' 103.855 2.617 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 3 O4'-C1'-N19 114.953 6.753 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 O4'-C1'-N19 111.522 3.322 . 0.143 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 O4'-C1'-N19 111.398 3.198 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C4'-C3'-C2' 98.716 -3.984 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 C4'-C3'-C2' 99.707 -2.993 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C4'-C3'-C2' 100.139 -2.561 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 100.545 -2.155 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.593 -3.107 . 0.417 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 P-O3'-C3' 122.954 2.712 . 0.561 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.368 -3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.5 1 C3'-C2'-C1' 105.412 4.347 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.401 0 P-O3'-C3' 123.453 3.127 . 0.018 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 1 C4'-C3'-C2' 98.295 -4.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.127 0 C4'-C3'-C2' 99.185 -3.515 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 0 C4'-C3'-C2' 99.64 -3.06 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 0 C5'-C4'-O4' 113.484 3.06 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 113.465 5.265 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 O4'-C1'-N19 111.989 3.789 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.32 1 O4'-C1'-N19 113.321 5.121 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.781 -2.919 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 O4'-C4'-C3' 108.738 2.313 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.035 1 O4'-C1'-N19 112.233 4.033 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 O4'-C1'-N19 111.698 3.498 . 0.056 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.535 2 O4'-C1'-N19 112.586 4.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 0 C4'-C3'-C2' 99.681 -3.019 . 0.204 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 C4'-C3'-C2' 99.029 -3.671 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.004 0 O4'-C1'-N19 111.143 2.943 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 99.507 -3.193 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.618 0 P-O3'-C3' 122.174 2.062 . 0.049 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 N19-C1'-C2' 116.453 1.908 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.005 0 C4'-C3'-C2' 99.301 -3.399 . 0.229 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 C4'-C3'-C2' 99.487 -3.213 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 C4'-C3'-C2' 99.582 -3.118 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.93 3.73 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 O4'-C1'-N19 111.804 3.604 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.464 0.173 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 43.1 p -124.28 2.33 8.48 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.171 1.389 . . . . 0.0 114.132 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.43 150.68 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.718 1.607 . . . . 0.0 110.586 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.95 15.25 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 125.383 1.473 . . . . 0.0 113.523 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 86.7 p -145.77 -178.56 6.17 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.379 1.872 . . . . 0.0 112.003 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -161.69 175.16 38.27 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.16 0.886 . . . . 0.0 113.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -142.03 173.01 11.91 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.216 1.807 . . . . 0.0 111.084 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -133.64 159.23 41.11 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.564 1.546 . . . . 0.0 112.233 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -136.23 44.54 2.42 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.671 1.588 . . . . 0.0 112.056 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -53.52 145.96 13.81 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.103 1.361 . . . . 0.0 113.035 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -131.23 160.14 35.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.358 1.463 . . . . 0.0 112.739 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -55.77 137.58 49.57 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.422 1.489 . . . . 0.0 113.015 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.27 -168.91 25.61 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.937 1.732 . . . . 0.0 112.377 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 171.64 -7.65 0.04 OUTLIER Glycine 0 CA--C 1.533 1.175 0 N-CA-C 116.938 1.535 . . . . 0.0 116.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -85.39 154.44 21.85 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.497 2.149 . . . . 0.0 110.966 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -137.74 163.45 31.3 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.513 1.525 . . . . 0.0 111.769 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 16.6 ttt85 64.78 175.42 0.2 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.533 1.933 . . . . 0.0 112.747 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -122.73 22.47 9.77 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.284 1.434 . . . . 0.0 113.646 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 10.4 m -47.05 -21.5 0.24 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 128.096 2.558 . . . . 0.0 116.811 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -138.29 36.25 2.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.389 1.476 . . . . 0.0 111.641 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 15.7 mt -138.7 164.98 28.13 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -148.68 156.93 43.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 130.321 3.448 . . . . 0.0 105.914 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -63.74 -6.59 5.85 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.018 -1.676 . . . . 0.0 115.468 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -119.03 9.95 12.0 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.913 1.685 . . . . 0.0 112.888 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -107.92 131.44 54.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.307 1.043 . . . . 0.0 112.408 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -57.76 128.88 39.32 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.355 -1.466 . . . . 0.0 113.79 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.28 -22.27 66.77 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -94.36 -74.5 0.54 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.01 1.324 . . . . 0.0 114.056 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.72 -10.53 58.86 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -175.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm 72.14 13.0 5.85 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.838 2.055 . . . . 0.0 114.875 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.61 149.86 49.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.963 1.256 . . . . 0.0 110.357 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -105.89 118.54 36.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.745 1.157 . . . . 0.0 110.627 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.4 -14.07 1.83 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.102 1.81 . . . . 0.0 114.527 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -152.95 172.85 16.17 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 112.665 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -109.75 157.23 19.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.463 1.905 . . . . 0.0 111.122 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.07 -35.75 11.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.54 1.536 . . . . 0.0 114.235 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -51.19 -24.8 4.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.687 1.995 . . . . 0.0 114.015 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -129.87 17.32 5.7 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.52 1.928 . . . . 0.0 113.199 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 38.3 t -56.16 130.16 74.15 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.09 -17.49 28.14 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.863 2.375 . . . . 0.0 112.758 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -82.01 3.03 28.21 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.399 1.08 . . . . 0.0 111.992 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 142' ' ' LYS . . . . . 0.437 ' HE2' ' C6 ' ' B' ' 35' ' ' ' G' . 28.6 mtpp -116.72 63.5 2.93 Favored Pre-proline 0 N--CA 1.481 1.116 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.66 -45.88 0.14 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 123.138 2.559 . . . . 0.0 112.363 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -161.43 29.49 0.13 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.426 2.29 . . . . 0.0 112.805 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 139.12 -155.4 23.89 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 128.572 2.986 . . . . 0.0 106.975 -172.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -103.8 -6.01 9.13 Favored 'Cis proline' 0 CA--C 1.544 1.022 0 CA-C-N 121.678 2.739 . . . . 0.0 112.206 23.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -145.0 161.22 39.93 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.129 1.771 . . . . 0.0 112.565 -175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.39 175.77 42.23 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.701 1.62 . . . . 0.0 111.534 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.04 151.61 85.19 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 122.817 2.344 . . . . 0.0 111.228 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 42.43 73.4 0.93 Allowed Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 127.136 2.175 . . . . 0.0 114.013 -178.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.07 156.88 11.93 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.875 3.05 . . . . 0.0 113.816 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -147.85 21.37 1.13 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 40.5 p -65.36 154.48 38.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.441 1.096 . . . . 0.0 113.306 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 60.8 p -71.35 -8.09 51.47 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 45.7 tp -59.94 -27.05 66.45 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.528 1.531 . . . . 0.0 114.095 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 125.59 1.556 . . . . 0.0 111.285 -179.264 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.188 0.042 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.03 13.72 3.93 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.443 1.097 . . . . 0.0 113.304 -177.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.3 t 48.27 26.57 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 127.496 2.318 . . . . 0.0 114.323 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.8 t 55.06 31.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.939 1.695 . . . . 0.0 112.272 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -130.68 18.85 5.17 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.914 1.686 . . . . 0.0 113.589 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.06 174.7 42.96 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.219 -0.925 . . . . 0.0 113.975 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -142.44 173.57 11.41 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.359 1.863 . . . . 0.0 111.144 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -140.4 140.09 35.41 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.602 1.561 . . . . 0.0 110.509 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -145.17 17.11 1.55 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -143.8 167.42 22.35 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.897 1.279 . . . . 0.0 112.852 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 177.21 10.11 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.25 1.82 . . . . 0.0 111.858 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -124.23 162.4 23.76 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.33 1.452 . . . . 0.0 112.166 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.8 -161.5 30.24 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.19 1.376 . . . . 0.0 112.764 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.42 168.23 32.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.853 1.216 . . . . 0.0 113.146 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.66 14.1 4.05 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.752 1.221 . . . . 0.0 113.879 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.9 144.55 38.67 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.49 1.116 . . . . 0.0 112.199 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -123.95 168.27 13.03 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.738 2.015 . . . . 0.0 109.432 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtm-85 -134.86 143.13 46.82 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.703 0.801 . . . . 0.0 112.341 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.5 m -118.9 47.48 1.65 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.811 1.644 . . . . 0.0 109.428 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 63.37 179.27 0.15 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.889 2.076 . . . . 0.0 111.321 -174.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.52 HD12 ' C2 ' ' B' ' 8' ' ' ' U' . 2.3 mt -165.08 166.52 19.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.592 1.557 . . . . 0.0 110.663 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -151.99 158.24 42.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.637 1.575 . . . . 0.0 109.552 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.48 14.27 0.14 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 126.165 1.786 . . . . 0.0 113.867 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -134.8 18.16 3.53 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 128.183 2.593 . . . . 0.0 111.465 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -133.29 145.07 50.13 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.816 1.246 . . . . 0.0 112.226 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.5 t -74.81 130.48 39.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.655 1.582 . . . . 0.0 113.358 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.72 -13.81 60.65 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -93.31 -71.02 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.665 1.12 . . . . 0.0 112.178 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -88.24 -5.78 58.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt 74.31 3.03 4.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.872 2.469 . . . . 0.0 114.438 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.94 150.67 48.26 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.469 1.031 . . . . 0.0 113.141 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.01 146.61 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.089 1.756 . . . . 0.0 110.864 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.51 -6.69 45.59 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.304 1.431 . . . . 0.0 115.215 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -151.87 -179.47 7.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 111.821 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -124.32 164.33 19.83 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.506 1.923 . . . . 0.0 110.038 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.17 -33.84 9.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.763 0.825 . . . . 0.0 113.169 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -45.3 -35.81 3.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.442 2.297 . . . . 0.0 113.564 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -123.93 15.08 9.27 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.28 1.832 . . . . 0.0 113.477 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 t -56.27 120.52 35.78 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.49 -20.67 42.04 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.392 2.728 . . . . 0.0 114.483 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -102.62 -18.17 15.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.577 1.551 . . . . 0.0 114.253 -177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -75.31 135.19 72.94 Favored Pre-proline 0 N--CA 1.479 0.976 0 CA-C-N 119.796 1.18 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.15 145.56 33.96 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.401 2.734 . . . . 0.0 112.933 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -116.41 171.08 8.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.096 1.359 . . . . 0.0 111.665 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.98 -179.46 43.69 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 124.344 0.973 . . . . 0.0 113.691 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -83.77 167.04 62.43 Favored 'Cis proline' 0 CA--C 1.543 0.931 0 CA-C-N 118.107 0.954 . . . . 0.0 113.266 27.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -147.54 164.74 32.47 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.694 1.598 . . . . 0.0 112.326 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.37 -171.23 44.36 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.117 1.341 . . . . 0.0 112.837 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.4 156.22 66.3 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.327 2.685 . . . . 0.0 112.07 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -139.79 154.29 70.74 Favored Pre-proline 0 N--CA 1.479 1.009 0 C-N-CA 125.669 1.587 . . . . 0.0 111.692 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.03 -16.46 25.55 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.315 2.677 . . . . 0.0 114.215 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 58.76 20.31 7.76 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.323 1.849 . . . . 0.0 114.508 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.6 p -143.08 175.06 10.14 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.807 2.043 . . . . 0.0 110.775 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -63.45 -15.03 56.52 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 127.882 2.473 . . . . 0.0 113.459 179.223 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 99.589 -3.111 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.797 -2.903 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 O4'-C1'-N19 111.554 3.354 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.194 -3.506 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 O4'-C1'-N19 111.526 3.326 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 0 C4'-C3'-C2' 99.98 -2.72 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.839 3 C5'-C4'-C3' 108.165 -4.89 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.52 ' C2 ' HD12 ' A' ' 21' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O3'-P-O5' 99.177 -2.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.903 1 O4'-C1'-N19 113.06 4.86 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.588 0 C5'-C4'-C3' 109.669 -3.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C4'-C3'-C2' 99.22 -3.48 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 O4'-C1'-N19 111.985 3.785 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' U' . . . . . 0.461 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.538 2.166 0 C5'-C4'-O4' 113.513 3.081 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . 0.461 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 112.124 3.924 . 0.395 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.729 0 O5'-C5'-C4' 114.599 3.142 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 110.751 -3.166 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C3'-C2'-C1' 104.623 3.47 . 0.317 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.39 1 C3'-C2'-C1' 106.631 5.701 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.682 0 N19-C1'-C2' 118.388 3.118 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.402 ' C2 ' ' N6 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 P--O3' 1.647 3.307 0 P-O3'-C3' 123.832 3.443 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 C4'-C3'-C2' 98.717 -3.983 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.377 3.177 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 C5'-C4'-C3' 111.238 -2.841 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 C4'-C3'-C2' 97.576 -5.124 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.514 0 O4'-C1'-N19 112.091 3.891 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C4'-C3'-C2' 99.97 -2.73 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 1 C4'-C3'-C2' 98.292 -4.408 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.112 1 O4'-C1'-N19 112.264 4.064 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C5'-C4'-O4' 113.175 2.839 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C3'-C2'-C1' 104.033 2.815 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 2 O4'-C1'-N19 112.718 4.518 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 112.036 3.836 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 C4'-C3'-C2' 99.329 -3.371 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O5'-C5'-C4' 115.022 3.445 . 0.012 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 111.959 3.759 . 0.295 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ' G' . . . . . 0.443 HO2' ' P ' ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C4'-C3'-O3' 116.512 2.274 OUTLIER-EPSILON 0.09 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ' U' . . . . . 0.443 ' P ' HO2' ' B' ' 37' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.367 3 P-O3'-C3' 125.578 4.898 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.013 0 O4'-C1'-N19 111.748 3.548 . 0.185 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 1 O4'-C1'-N19 112.652 4.452 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C5'-C4'-O4' 113.334 2.953 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C4'-C3'-C2' 98.767 -3.933 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.078 0 O4'-C1'-N19 112.128 3.928 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 C4'-C3'-C2' 100.126 -2.574 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.188 -3.512 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 100.492 -2.208 . 0.401 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.868 3.668 . 0.293 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 1 O4'-C1'-N19 112.327 4.127 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 0 O4'-C1'-N19 111.738 3.538 . 0.447 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 O4'-C1'-N19 112.011 3.811 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 99.681 -3.019 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 0 C4'-C3'-C2' 99.78 -2.92 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C5'-C4'-O4' 113.416 3.011 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 O4'-C1'-N19 111.77 3.57 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.334 -3.366 . 0.404 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.337 3 P-O3'-C3' 125.835 5.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C5'-C4'-O4' 113.861 3.329 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.603 1 O4'-C1'-N19 115.074 6.874 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.663 0 O5'-C5'-C4' 114.732 3.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.413 1 C4'-C3'-O3' 121.417 4.16 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 1 P-O3'-C3' 126.077 5.314 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.655 -3.045 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 O4'-C1'-N19 111.548 3.348 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.95 -2.75 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 110.767 2.567 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.474 0 O5'-C5'-C4' 113.527 2.376 . 0.186 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.364 0 C3'-C2'-C1' 104.826 3.695 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.299 -3.401 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 99.5 -3.2 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 C4'-C3'-C2' 99.808 -2.892 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C4'-C3'-C2' 99.395 -3.305 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 O4'-C1'-N19 111.62 3.42 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.282 0.104 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 52.0 p 47.38 42.73 14.53 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.969 1.707 . . . . 0.0 114.32 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.73 164.93 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.506 1.523 . . . . 0.0 113.202 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.31 165.0 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.817 1.647 . . . . 0.0 111.852 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 8.1 t -64.92 162.14 17.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.412 1.085 . . . . 0.0 113.205 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -172.82 179.44 44.29 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.471 1.51 . . . . 0.0 113.179 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -128.45 10.06 6.14 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.955 1.302 . . . . 0.0 113.918 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -147.98 145.01 28.38 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.663 1.585 . . . . 0.0 111.148 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -145.67 173.03 12.43 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.209 1.804 . . . . 0.0 111.309 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -137.75 164.0 29.97 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.998 1.719 . . . . 0.0 111.189 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -137.39 37.43 2.49 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.272 1.829 . . . . 0.0 111.464 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -143.71 123.68 13.56 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.103 1.761 . . . . 0.0 109.984 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 170.11 161.72 21.11 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 123.529 0.585 . . . . 0.0 114.253 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.36 144.75 3.99 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.618 1.58 . . . . 0.0 113.764 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -100.34 -4.86 28.29 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.018 1.327 . . . . 0.0 112.628 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -64.8 156.78 29.58 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.949 -1.094 . . . . 0.0 111.409 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 84.76 -22.03 0.22 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 129.239 3.016 . . . . 0.0 113.722 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -61.98 -26.1 68.02 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.208 1.003 . . . . 0.0 112.119 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 7.0 m -52.83 -14.45 0.56 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.833 2.453 . . . . 0.0 115.546 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -120.06 30.08 7.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.82 1.648 . . . . 0.0 113.103 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 63.5 mt -125.47 159.22 32.5 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.08 1.352 . . . . 0.0 113.486 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -144.89 158.44 43.8 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.539 3.136 . . . . 0.0 105.83 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -72.92 12.29 0.55 Allowed 'General case' 0 N--CA 1.484 1.275 0 O-C-N 119.953 -1.717 . . . . 0.0 115.363 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -116.48 8.1 13.94 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.403 1.881 . . . . 0.0 111.521 172.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -116.31 163.75 15.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.986 1.314 . . . . 0.0 113.769 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 34.8 t -86.85 126.41 34.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 112.869 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.54 -23.24 64.43 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.8 -76.84 0.22 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.777 1.171 . . . . 0.0 111.638 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 2.5 p -91.84 -4.1 55.25 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm 70.2 5.53 5.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 114.747 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.77 148.68 19.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.096 1.316 . . . . 0.0 110.652 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.83 120.71 40.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.678 1.191 . . . . 0.0 110.274 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 137.17 -14.7 3.75 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.61 1.576 . . . . 0.0 115.272 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -150.25 172.49 15.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.413 1.485 . . . . 0.0 111.886 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -112.09 163.65 14.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.005 1.722 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.85 -38.52 35.5 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.03 -18.4 9.41 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.48 1.512 . . . . 0.0 114.266 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -125.91 12.93 7.88 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.642 1.977 . . . . 0.0 113.187 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 43.2 t -54.3 122.25 36.1 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.063 0.945 . . . . 0.0 113.536 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.96 -10.37 24.6 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.125 2.55 . . . . 0.0 112.775 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -101.16 -3.02 29.91 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.842 1.657 . . . . 0.0 112.372 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.69 123.2 56.4 Favored Pre-proline 0 N--CA 1.477 0.923 0 CA-C-N 119.42 1.009 . . . . 0.0 110.669 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.89 163.48 36.9 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.267 2.645 . . . . 0.0 113.301 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -71.21 164.01 26.51 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.848 1.259 . . . . 0.0 111.346 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.44 176.04 44.15 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-O 119.274 -0.737 . . . . 0.0 114.485 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.3 157.98 86.72 Favored 'Cis proline' 0 CA--C 1.541 0.848 0 C-N-CA 125.154 -0.769 . . . . 0.0 113.011 27.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -146.82 154.06 40.9 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.589 1.556 . . . . 0.0 111.136 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -175.79 -173.14 41.24 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 125.19 1.376 . . . . 0.0 112.697 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.42 167.17 23.13 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.676 2.917 . . . . 0.0 112.516 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -134.74 74.77 63.9 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 124.934 1.294 . . . . 0.0 111.731 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.39 -17.87 16.26 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.663 2.909 . . . . 0.0 113.864 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -152.05 158.96 43.75 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.114 1.766 . . . . 0.0 110.881 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 6.9 t -154.05 171.4 19.14 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.577 1.151 . . . . 0.0 111.884 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 66.3 m -141.54 147.5 37.83 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.807 1.643 . . . . 0.0 111.538 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.62 -15.48 61.73 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.562 1.145 . . . . 0.0 113.543 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 126.154 1.782 . . . . 0.0 110.514 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.37 124.62 32.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.387 1.475 . . . . 0.0 113.614 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.02 -19.5 64.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -87.23 -38.67 16.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.77 -4.61 7.02 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 -177.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 73.02 1.72 4.13 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 127.981 2.513 . . . . 0.0 115.579 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.18 162.89 16.2 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.376 0.989 . . . . 0.0 112.151 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -110.48 144.42 39.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.465 1.506 . . . . 0.0 111.741 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.26 -7.81 32.71 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.536 1.541 . . . . 0.0 114.736 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -152.43 177.03 11.04 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.716 1.606 . . . . 0.0 111.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -119.62 167.7 11.75 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.605 1.962 . . . . 0.0 109.714 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.64 -36.38 24.41 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -55.26 -17.33 4.4 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.899 2.079 . . . . 0.0 114.549 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -132.35 14.38 4.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.937 2.095 . . . . 0.0 112.432 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t . . . . . 0 CA--C 1.555 1.158 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -177.603 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.53 128.47 35.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.555 1.542 . . . . 0.0 114.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.02 -19.45 60.05 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 121.421 -0.799 . . . . 0.0 112.936 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -79.81 -34.54 39.47 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -137.11 -4.37 1.92 Allowed 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 76.54 -3.05 2.6 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 127.727 2.411 . . . . 0.0 115.626 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.44 154.09 39.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.799 1.182 . . . . 0.0 112.674 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -102.92 141.34 35.89 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.103 1.361 . . . . 0.0 111.775 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.12 -7.03 21.42 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 126.279 1.895 . . . . 0.0 114.949 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -154.94 177.53 11.2 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.96 1.304 . . . . 0.0 112.898 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -115.09 165.46 12.88 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.321 2.248 . . . . 0.0 109.332 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.43 53.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.209 1.004 . . . . 0.0 112.913 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.83 -14.55 9.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.968 1.707 . . . . 0.0 114.411 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.25 12.61 5.56 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.189 2.196 . . . . 0.0 111.992 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.08 131.7 89.66 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 123.66 0.784 . . . . 0.0 111.334 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--N 1.352 0.761 0 C-N-CA 122.92 2.413 . . . . 0.0 113.163 179.527 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.7 t -85.73 127.37 34.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.317 1.847 . . . . 0.0 112.413 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.84 66.93 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -83.75 -57.09 3.36 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 p -102.21 -7.5 22.11 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 70.05 10.02 7.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.04 172.23 10.44 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.949 0.9 . . . . 0.0 110.924 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -111.2 164.66 12.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 114.026 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.55 -1.6 88.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.627 1.584 . . . . 0.0 115.582 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -155.35 172.44 18.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.323 1.449 . . . . 0.0 111.956 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -113.25 166.18 11.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.597 1.959 . . . . 0.0 109.834 176.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.29 -32.95 18.33 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -52.92 -24.03 8.4 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.66 1.984 . . . . 0.0 114.255 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.49 16.0 7.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.584 1.953 . . . . 0.0 112.874 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 CA--C 1.555 1.165 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -176.862 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 CA--C 1.552 1.033 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 14.0 t -105.31 129.56 53.63 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.305 1.842 . . . . 0.0 109.844 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.77 74.37 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.49 -36.04 29.73 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.48 -6.34 7.0 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.25 32.0 mmtp 73.47 3.92 4.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.943 2.097 . . . . 0.0 115.534 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.0 177.96 2.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.401 1.08 . . . . 0.0 110.68 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -130.96 161.05 32.76 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.315 1.046 . . . . 0.0 113.589 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.68 -4.66 59.7 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.582 1.563 . . . . 0.0 113.56 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -154.72 168.59 26.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.107 2.163 . . . . 0.0 110.43 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -109.17 166.86 10.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.489 1.516 . . . . 0.0 110.355 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.65 23.32 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.22 -20.92 12.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.36 2.264 . . . . 0.0 113.537 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.27 16.68 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.998 2.119 . . . . 0.0 113.026 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.2 122.11 28.27 Favored Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo . . . . . 0 C--N 1.356 0.954 0 C-N-CA 122.923 2.416 . . . . 0.0 113.406 -178.357 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.8 t -77.16 131.23 38.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.652 1.581 . . . . 0.0 113.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.3 -8.48 56.39 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -106.91 -25.91 11.44 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.551 1.685 . . . . 0.0 115.551 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.01 -3.34 2.5 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 69.72 2.6 3.89 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.144 2.178 . . . . 0.0 115.189 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.76 154.55 29.29 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.672 1.124 . . . . 0.0 111.644 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -87.81 160.48 18.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.521 1.528 . . . . 0.0 113.504 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.73 0.75 56.41 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.136 1.614 . . . . 0.0 117.136 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -148.07 171.56 15.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.257 1.529 . . . . 0.0 112.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -120.79 163.48 18.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.261 1.824 . . . . 0.0 111.328 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.53 -37.86 18.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.773 1.229 . . . . 0.0 112.547 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -52.63 -22.25 4.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.649 1.98 . . . . 0.0 114.417 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -129.03 12.76 6.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.7 2.0 . . . . 0.0 113.29 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 CA--C 1.552 1.034 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -176.413 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 43.0 t -74.93 130.96 40.29 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.354 -1.467 . . . . 0.0 112.19 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.76 -17.8 61.6 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -106.67 -70.54 0.79 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -82.72 -9.34 59.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.257 1.39 . . . . 0.0 114.56 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mttp 70.99 7.95 6.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.583 2.353 . . . . 0.0 115.359 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.33 166.43 16.58 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.284 0.947 . . . . 0.0 111.094 172.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -108.12 159.39 16.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 93.15 -3.79 73.46 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.604 1.573 . . . . 0.0 115.283 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -154.0 170.17 21.73 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.221 1.408 . . . . 0.0 112.077 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -109.59 163.41 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.516 1.926 . . . . 0.0 109.962 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.66 -35.39 60.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.18 -8.0 7.11 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.919 1.288 . . . . 0.0 114.055 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.71 10.81 5.16 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.711 2.404 . . . . 0.0 111.931 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.5 t -59.27 129.51 86.6 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 124.755 1.222 . . . . 0.0 113.447 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.354 0.862 0 C-N-CA 123.378 2.718 . . . . 0.0 113.391 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.74 143.59 26.38 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.525 1.13 . . . . 0.0 113.222 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.0 -1.71 48.4 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.97 1.308 . . . . 0.0 113.486 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -110.0 -28.72 8.57 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -132.34 -4.05 3.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 176.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 71.96 5.4 5.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.463 2.305 . . . . 0.0 115.69 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.19 -179.3 1.53 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.647 1.179 . . . . 0.0 112.814 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.65 160.2 23.76 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.247 1.419 . . . . 0.0 113.036 -178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.33 -2.5 87.77 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.345 1.45 . . . . 0.0 116.065 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -152.65 174.48 13.93 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.144 1.378 . . . . 0.0 111.659 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -120.34 168.45 11.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.514 1.925 . . . . 0.0 110.712 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.41 -41.0 8.76 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.968 1.707 . . . . 0.0 112.792 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -52.89 -20.1 3.06 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.479 2.312 . . . . 0.0 114.681 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.25 13.23 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.241 2.216 . . . . 0.0 112.277 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 CA--C 1.553 1.087 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -175.784 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 42.9 t -82.52 131.43 35.21 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.277 1.431 . . . . 0.0 114.628 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.94 6.51 15.73 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -117.31 -33.71 4.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.268 1.427 . . . . 0.0 114.191 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.36 -3.13 3.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 76.48 -6.3 2.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.028 2.531 . . . . 0.0 115.134 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.88 164.14 10.74 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.963 1.256 . . . . 0.0 112.479 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -115.63 157.19 24.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.66 1.184 . . . . 0.0 113.243 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.92 -3.9 58.89 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.884 1.707 . . . . 0.0 113.875 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -155.6 173.56 16.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.76 1.624 . . . . 0.0 112.39 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -113.93 161.07 18.1 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.895 2.078 . . . . 0.0 110.229 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.27 -39.66 45.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.786 1.234 . . . . 0.0 113.778 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -54.55 -22.14 12.28 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.614 1.566 . . . . 0.0 113.93 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.56 14.55 6.53 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.895 2.078 . . . . 0.0 112.671 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.2 t -57.11 135.32 80.61 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.837 1.255 . . . . 0.0 113.807 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo . . . . . 0 CA--C 1.541 0.866 0 C-N-CA 123.019 2.479 . . . . 0.0 113.386 174.155 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.06 134.1 35.32 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.442 1.497 . . . . 0.0 112.825 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.65 -27.74 66.27 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -87.38 -69.0 0.71 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 p -89.93 -6.88 55.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 72.52 4.62 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.293 2.237 . . . . 0.0 115.23 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -66.76 168.73 9.05 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.208 0.913 . . . . 0.0 112.086 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -108.65 163.49 13.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.39 1.476 . . . . 0.0 113.043 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.3 -3.57 85.87 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.313 1.435 . . . . 0.0 115.551 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -153.91 171.96 18.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.992 1.317 . . . . 0.0 112.194 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -116.54 163.54 15.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.86 2.064 . . . . 0.0 110.432 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.97 -35.41 15.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.129 1.372 . . . . 0.0 113.006 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.04 -22.94 2.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.241 1.817 . . . . 0.0 114.038 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -131.42 15.51 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.023 2.129 . . . . 0.0 113.324 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.553 1.071 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -176.396 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 119.81 -0.138 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.28 121.27 18.16 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.046 -1.659 . . . . 0.0 111.403 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.4 -15.76 62.88 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.529 -0.732 . . . . 0.0 112.68 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.87 -36.7 12.1 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.28 -6.94 7.05 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.292 80.2 mttt 73.65 7.9 5.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.351 2.261 . . . . 0.0 115.664 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -70.24 175.38 4.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.585 0.754 . . . . 0.0 110.644 171.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 143.04 51.23 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.913 -1.117 . . . . 0.0 112.1 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 111.99 -2.63 27.12 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.446 1.974 . . . . 0.0 114.435 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -156.0 -179.67 8.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.982 1.313 . . . . 0.0 113.234 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -120.94 167.3 12.71 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.528 2.331 . . . . 0.0 109.945 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.72 -38.86 16.17 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.603 1.161 . . . . 0.0 113.007 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -52.57 -22.43 4.96 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.977 2.111 . . . . 0.0 114.524 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.97 8.41 5.22 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.562 1.945 . . . . 0.0 112.865 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 36.8 t -54.12 124.57 46.26 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.238 1.415 . . . . 0.0 113.505 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 CA--C 1.54 0.822 0 C-N-CA 123.083 2.522 . . . . 0.0 113.034 179.184 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -73.15 128.62 36.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.336 1.454 . . . . 0.0 112.008 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.82 -13.86 62.48 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -106.43 -33.99 7.55 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.93 -2.72 9.71 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 72.67 -5.99 1.73 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.722 2.409 . . . . 0.0 114.55 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.62 163.12 9.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.664 1.12 . . . . 0.0 112.398 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 156.73 19.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.104 1.361 . . . . 0.0 113.5 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.01 -4.41 65.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.334 1.445 . . . . 0.0 114.799 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.92 170.8 20.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.295 1.438 . . . . 0.0 111.994 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -113.23 163.48 14.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.487 1.915 . . . . 0.0 109.792 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.36 -34.28 15.6 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -53.94 -24.26 15.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.024 1.73 . . . . 0.0 114.147 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -125.56 16.01 8.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.602 1.961 . . . . 0.0 112.705 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.554 1.121 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.139 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 120.621 0.248 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.4 t -73.61 127.62 33.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.838 1.255 . . . . 0.0 112.843 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.75 8.47 14.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -114.31 -35.03 5.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 114.021 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.38 -5.92 5.35 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 80.7 mttt 78.38 -5.59 2.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.401 2.681 . . . . 0.0 115.801 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -65.55 159.86 23.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.03 1.286 . . . . 0.0 112.37 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -114.42 146.54 40.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.566 1.146 . . . . 0.0 112.034 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 112.9 -3.21 25.78 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.672 2.082 . . . . 0.0 113.622 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -157.43 -179.89 8.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.067 1.747 . . . . 0.0 111.998 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -120.29 166.8 13.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.077 2.151 . . . . 0.0 109.51 176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.1 21.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.482 1.113 . . . . 0.0 112.413 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -49.11 -29.09 4.82 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.798 2.439 . . . . 0.0 113.996 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -129.35 18.03 5.92 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.195 2.198 . . . . 0.0 112.812 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 40.1 t -57.65 128.03 79.17 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo . . . . . 0 CA--C 1.541 0.846 0 C-N-CA 122.72 2.28 . . . . 0.0 112.552 177.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.208 0.527 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.48 126.82 30.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.648 1.579 . . . . 0.0 114.369 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.84 -15.98 63.19 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.053 -1.03 . . . . 0.0 113.439 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -93.68 -62.18 1.41 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.37 -10.21 24.11 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.273 12.0 mptt 72.51 6.82 5.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.832 2.453 . . . . 0.0 115.236 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.11 165.22 22.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.516 1.053 . . . . 0.0 111.266 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -103.06 162.32 13.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.953 1.301 . . . . 0.0 113.89 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.42 0.21 73.57 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 126.116 1.817 . . . . 0.0 115.106 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -158.97 177.49 11.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.242 1.417 . . . . 0.0 112.514 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -114.85 166.14 12.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.997 2.119 . . . . 0.0 109.372 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.84 39.24 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.5 0.72 . . . . 0.0 112.867 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -51.28 -25.94 6.56 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.982 2.113 . . . . 0.0 114.267 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -128.24 18.15 6.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.838 1.655 . . . . 0.0 113.322 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 CA--C 1.556 1.182 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -178.485 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.76 126.82 52.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.244 1.818 . . . . 0.0 110.499 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.12 -2.67 19.43 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -109.78 -40.05 4.92 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.91 1.232 . . . . 0.0 114.305 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.9 -4.28 9.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 84.0 mttt 72.97 2.01 4.23 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.945 2.098 . . . . 0.0 115.129 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.29 176.68 1.7 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.362 0.983 . . . . 0.0 111.091 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -124.65 157.74 34.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.991 1.317 . . . . 0.0 113.001 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.42 66.86 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.752 1.644 . . . . 0.0 114.628 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -154.92 165.1 37.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.165 1.786 . . . . 0.0 111.002 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -106.3 169.08 8.72 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.701 1.6 . . . . 0.0 110.751 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.61 -41.0 54.36 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.026 0.93 . . . . 0.0 112.926 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -58.0 -13.89 5.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.197 1.799 . . . . 0.0 114.623 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.41 11.69 4.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.929 2.092 . . . . 0.0 112.173 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 33.7 t -56.94 124.06 62.78 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 124.612 1.165 . . . . 0.0 112.758 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo . . . . . 0 C--N 1.353 0.789 0 C-N-CA 123.214 2.609 . . . . 0.0 113.289 -179.146 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -98.46 131.5 44.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.503 1.521 . . . . 0.0 111.579 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.59 -10.33 59.44 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.27 -32.58 6.23 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.372 2.36 . . . . 0.0 117.372 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 -2.66 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER 76.43 -3.49 2.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 128.613 2.765 . . . . 0.0 115.425 178.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.25 173.14 2.11 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.31 163.5 18.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.247 2.219 . . . . 0.0 111.826 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.94 -6.68 65.58 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.647 1.118 . . . . 0.0 114.894 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -149.59 169.34 21.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.947 1.699 . . . . 0.0 110.782 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -120.44 166.66 13.27 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.776 1.63 . . . . 0.0 110.201 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -45.81 -37.64 6.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.505 1.122 . . . . 0.0 113.919 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -56.36 -22.55 31.84 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.907 1.683 . . . . 0.0 115.074 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.49 10.78 9.19 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.615 1.966 . . . . 0.0 112.166 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 36' ' ' ALA . 50.0 t . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 124.712 1.205 . . . . 0.0 113.411 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.46 129.86 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.476 -1.39 . . . . 0.0 113.383 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.95 -27.29 60.13 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.513 -0.742 . . . . 0.0 112.525 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -78.27 -39.04 41.26 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.0 -5.16 6.23 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.256 70.6 mmtt 71.18 5.2 5.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.038 2.135 . . . . 0.0 115.666 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.08 141.1 54.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.064 1.302 . . . . 0.0 111.289 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -87.5 143.05 27.41 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.436 1.094 . . . . 0.0 111.679 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 110.11 -8.3 31.18 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.332 1.444 . . . . 0.0 116.505 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -151.22 178.4 9.28 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.232 1.516 . . . . 0.0 112.87 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -118.5 156.54 28.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.849 2.06 . . . . 0.0 110.909 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 136' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' C' ' 139' ' ' CYS . . . -50.24 -39.35 44.52 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.849 1.66 . . . . 0.0 113.122 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.18 -22.36 6.44 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.699 1.6 . . . . 0.0 113.506 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -131.82 15.93 4.78 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.03 2.132 . . . . 0.0 113.112 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 139' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' C' ' 136' ' ' ALA . 31.5 t -56.37 132.39 76.21 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.788 1.235 . . . . 0.0 113.801 -177.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo . . . . . 0 CA--C 1.542 0.914 0 C-N-CA 123.254 2.636 . . . . 0.0 112.515 177.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.921 0.391 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.87 131.17 44.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.382 1.473 . . . . 0.0 112.957 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.57 -13.35 60.35 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -100.92 -32.98 10.39 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.88 -3.94 8.12 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 72.01 -0.41 3.23 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.504 2.322 . . . . 0.0 115.073 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.57 159.26 30.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.476 1.035 . . . . 0.0 111.848 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -109.23 154.89 21.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.939 1.296 . . . . 0.0 112.109 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.23 56.9 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.484 1.516 . . . . 0.0 114.505 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -152.02 179.1 8.77 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.658 1.583 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -121.18 161.91 21.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.442 1.897 . . . . 0.0 109.726 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -33.68 22.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.235 1.014 . . . . 0.0 113.406 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -50.42 -29.5 10.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.365 1.866 . . . . 0.0 113.407 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -127.09 19.52 7.01 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.407 1.883 . . . . 0.0 112.977 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t . . . . . 0 CA--C 1.553 1.084 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 -178.683 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -57.76 128.88 39.32 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.355 -1.466 . . . . 0.0 113.79 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.28 -22.27 66.77 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -94.36 -74.5 0.54 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.01 1.324 . . . . 0.0 114.056 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.72 -10.53 58.86 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -175.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm 72.14 13.0 5.85 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.838 2.055 . . . . 0.0 114.875 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.61 149.86 49.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.963 1.256 . . . . 0.0 110.357 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -105.89 118.54 36.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.745 1.157 . . . . 0.0 110.627 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.4 -14.07 1.83 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.102 1.81 . . . . 0.0 114.527 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -152.95 172.85 16.17 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 112.665 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -109.75 157.23 19.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.463 1.905 . . . . 0.0 111.122 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.07 -35.75 11.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.54 1.536 . . . . 0.0 114.235 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -51.19 -24.8 4.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.687 1.995 . . . . 0.0 114.015 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -129.87 17.32 5.7 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.52 1.928 . . . . 0.0 113.199 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 38.3 t -56.16 130.16 74.15 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--N 1.356 0.928 0 C-N-CA 122.863 2.375 . . . . 0.0 112.758 177.87 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.522 0.677 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.5 t -74.81 130.48 39.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.655 1.582 . . . . 0.0 113.358 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.72 -13.81 60.65 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -93.31 -71.02 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.665 1.12 . . . . 0.0 112.178 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -88.24 -5.78 58.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt 74.31 3.03 4.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.872 2.469 . . . . 0.0 114.438 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.94 150.67 48.26 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.469 1.031 . . . . 0.0 113.141 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.01 146.61 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.089 1.756 . . . . 0.0 110.864 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.51 -6.69 45.59 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.304 1.431 . . . . 0.0 115.215 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -151.87 -179.47 7.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 111.821 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -124.32 164.33 19.83 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.506 1.923 . . . . 0.0 110.038 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.17 -33.84 9.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.763 0.825 . . . . 0.0 113.169 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -45.3 -35.81 3.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.442 2.297 . . . . 0.0 113.564 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -123.93 15.08 9.27 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.28 1.832 . . . . 0.0 113.477 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 t . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.253 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 113.769 1.025 . . . . 0.0 113.769 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 34.8 t -86.85 126.41 34.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 112.869 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.54 -23.24 64.43 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.8 -76.84 0.22 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.777 1.171 . . . . 0.0 111.638 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 2.5 p -91.84 -4.1 55.25 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm 70.2 5.53 5.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 114.747 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.77 148.68 19.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.096 1.316 . . . . 0.0 110.652 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.83 120.71 40.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.678 1.191 . . . . 0.0 110.274 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 137.17 -14.7 3.75 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.61 1.576 . . . . 0.0 115.272 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -150.25 172.49 15.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.413 1.485 . . . . 0.0 111.886 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -112.09 163.65 14.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.005 1.722 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.85 -38.52 35.5 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.03 -18.4 9.41 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.48 1.512 . . . . 0.0 114.266 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -125.91 12.93 7.88 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.642 1.977 . . . . 0.0 113.187 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 43.2 t -54.3 122.25 36.1 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.063 0.945 . . . . 0.0 113.536 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo . . . . . 0 C--N 1.355 0.901 0 C-N-CA 123.125 2.55 . . . . 0.0 112.775 -179.528 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.324 0.106 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.0 p -125.78 14.39 8.04 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.074 1.35 . . . . 0.0 113.83 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.3 t 56.34 20.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 126.976 2.11 . . . . 0.0 114.696 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -143.9 140.16 25.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.874 1.67 . . . . 0.0 109.667 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -147.84 163.69 35.98 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.556 1.542 . . . . 0.0 111.988 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.65 -166.31 35.4 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.789 1.185 . . . . 0.0 112.534 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -149.3 170.86 17.55 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.087 0.944 . . . . 0.0 113.211 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -142.9 148.34 36.79 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.46 2.704 . . . . 0.0 107.458 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' HG3' ' H ' ' A' ' 11' ' ' ARG . 5.6 pt20 -62.31 -6.99 3.64 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 52.8 17.2 0.8 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.797 2.039 . . . . 0.0 114.373 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' H ' ' HG3' ' A' ' 9' ' ' GLN . 36.0 mmm-85 52.19 18.2 0.84 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 128.991 2.916 . . . . 0.0 114.809 -177.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -51.95 -35.14 45.09 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.522 1.929 . . . . 0.0 112.8 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.94 38.16 1.98 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 126.182 1.849 . . . . 0.0 111.783 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.44 31.43 0.53 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.73 151.32 50.03 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.329 1.565 . . . . 0.0 112.518 176.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.46 -173.64 3.66 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.309 2.244 . . . . 0.0 113.77 -174.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -140.0 137.18 34.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.891 2.077 . . . . 0.0 109.518 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -147.52 144.76 28.76 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.971 1.708 . . . . 0.0 109.772 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.3 m -65.3 167.09 8.89 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.718 0.807 . . . . 0.0 112.796 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -50.82 120.62 4.96 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.505 1.122 . . . . 0.0 111.805 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.0 mt -146.66 166.73 25.68 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.925 1.69 . . . . 0.0 112.206 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -151.17 164.07 37.38 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.385 2.274 . . . . 0.0 107.737 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.75 13.44 0.37 Allowed 'General case' 0 N--CA 1.485 1.293 0 O-C-N 120.434 -1.416 . . . . 0.0 114.241 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -126.62 12.75 7.46 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.944 2.498 . . . . 0.0 111.398 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -125.84 155.0 41.84 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.108 1.363 . . . . 0.0 112.454 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.7 t -85.37 124.62 32.18 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.387 1.475 . . . . 0.0 113.614 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.02 -19.5 64.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -87.23 -38.67 16.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.77 -4.61 7.02 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 -177.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 73.02 1.72 4.13 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 127.981 2.513 . . . . 0.0 115.579 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.18 162.89 16.2 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.376 0.989 . . . . 0.0 112.151 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -110.48 144.42 39.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.465 1.506 . . . . 0.0 111.741 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.26 -7.81 32.71 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.536 1.541 . . . . 0.0 114.736 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -152.43 177.03 11.04 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.716 1.606 . . . . 0.0 111.447 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -119.62 167.7 11.75 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.605 1.962 . . . . 0.0 109.714 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.64 -36.38 24.41 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -55.26 -17.33 4.4 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.899 2.079 . . . . 0.0 114.549 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -132.35 14.38 4.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.937 2.095 . . . . 0.0 112.432 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t -57.28 125.72 71.92 Favored Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.14 -16.0 39.83 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.2 2.6 . . . . 0.0 113.229 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -69.45 -25.73 64.24 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.954 0.901 . . . . 0.0 111.816 176.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.49 152.02 91.78 Favored Pre-proline 0 N--CA 1.475 0.781 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -72.57 -6.08 18.37 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 124.072 3.182 . . . . 0.0 114.742 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.256 9.3 ptm180 45.65 32.99 1.3 Allowed 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 127.99 2.516 . . . . 0.0 116.043 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.23 -177.68 43.38 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.752 1.644 . . . . 0.0 113.199 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -60.96 163.55 36.61 Favored 'Cis proline' 0 CA--C 1.544 1.003 0 C-N-CA 125.267 -0.722 . . . . 0.0 113.251 -28.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -155.1 166.65 32.93 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.736 1.615 . . . . 0.0 112.28 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.52 177.87 48.06 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.664 1.126 . . . . 0.0 113.743 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -71.22 164.12 36.82 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.022 3.148 . . . . 0.0 112.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -148.61 135.19 10.2 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 125.719 1.608 . . . . 0.0 110.344 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.24 -37.71 40.2 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.428 2.752 . . . . 0.0 114.613 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -56.02 -22.24 26.08 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.553 1.541 . . . . 0.0 114.31 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 47.2 p -128.1 4.18 5.86 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.586 1.555 . . . . 0.0 113.829 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.4 m -132.69 2.62 3.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.276 1.43 . . . . 0.0 114.776 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 125.57 1.548 . . . . 0.0 111.397 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 C4'-C3'-C2' 99.645 -3.055 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 C4'-C3'-C2' 99.623 -3.077 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 O4'-C1'-N19 111.652 3.452 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 O4'-C1'-N19 111.266 3.066 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.546 0 O4'-C1'-N19 111.229 3.029 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.349 0 C3'-C2'-C1' 104.322 3.136 OUTLIER-DELTA 0.26 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.375 1 O4'-C1'-N19 112.4 4.2 . 0.359 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C3'-C2'-C1' 104.048 2.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 C5'-C4'-C3' 110.785 -3.143 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.593 1 O4'-C1'-N19 112.834 4.634 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 1 O4'-C1'-N19 112.329 4.129 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 O4'-C1'-N19 111.99 3.79 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.397 0 C5'-C4'-O4' 113.926 3.376 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 O4'-C1'-N19 112.036 3.836 . 0.35 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 O5'-C5'-C4' 115.003 3.431 . 0.173 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . 0.46 ' H21' ' CG1' ' C' ' 103' ' ' VAL . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 C5'-C4'-C3' 108.559 -4.628 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C3'-C2'-C1' 103.848 2.609 . 0.017 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.475 1 C3'-C2'-C1' 105.86 4.844 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.039 0 O4'-C1'-N19 111.086 2.886 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.47 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.388 2 O4'-C1'-N19 112.478 4.278 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.108 2 C4'-C3'-C2' 97.319 -5.381 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.278 1 O4'-C1'-N19 112.501 4.301 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.918 0 O4'-C1'-N19 110.87 2.67 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.821 2 O4'-C1'-N19 113.75 5.55 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.526 1 O4'-C1'-N19 112.497 4.297 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 111.568 3.368 . 0.849 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.291 3.091 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 C4'-C3'-C2' 99.575 -3.125 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 O4'-C4'-C3' 108.07 1.836 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C3'-C2'-C1' 104.842 3.714 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 O4'-C1'-N19 111.895 3.695 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.822 1 C3'-C2'-C1' 105.291 4.212 . 0.182 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . 0.459 " H2'" ' CE1' ' C' ' 128' ' ' TYR . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 P-O3'-C3' 124.467 3.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.839 0 O4'-C1'-N19 112.042 3.842 . 0.022 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.26 0 O4'-C1'-N19 112.135 3.935 . 0.081 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 N19-C1'-C2' 117.318 2.449 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.512 0 C4'-C3'-C2' 98.781 -3.919 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 O4'-C1'-N19 110.825 2.625 . 0.185 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 0 C4'-C3'-C2' 100.033 -2.667 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 1 C4'-C3'-C2' 98.427 -4.273 . 0.686 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.233 0 C5'-C4'-O4' 113.02 2.729 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.212 0 C4'-C3'-C2' 100.13 -2.57 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C4'-C3'-C2' 99.742 -2.958 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 C5'-C4'-O4' 113.721 3.229 . 0.376 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . 0.47 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C4'-C3' 109.167 2.619 . 0.399 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . 0.413 H5'' " H2'" ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.452 0 N19-C1'-C2' 117.097 2.31 . 0.083 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.379 0 O4'-C1'-N19 111.545 3.345 . 0.049 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 P-O3'-C3' 124.22 3.766 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 111.853 3.653 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.207 0 C4'-C3'-C2' 99.34 -3.36 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.217 0 C4'-C3'-C2' 99.964 -2.736 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.775 -2.925 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 1 O4'-C1'-N19 112.379 4.179 . 0.558 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C3'-C2'-C1' 104.299 3.11 . 0.163 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.292 4 O4'-C1'-N19 114.857 6.657 . 0.01 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C5'-C4'-O4' 113.3 2.929 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.885 1 O4'-C1'-N19 112.847 4.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.093 0 O5'-C5'-C4' 115.565 3.832 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.37 0 N19-C1'-C2' 117.321 2.451 . 0.041 2g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.181 0 O4'-C1'-N19 111.152 2.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.956 0 C4'-C3'-C2' 99.362 -3.338 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.978 0 O4'-C1'-N19 111.604 3.404 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.031 0 C5'-C4'-O4' 112.134 2.096 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.441 0 O4'-C1'-N19 110.865 2.665 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.065 0 C5'-C4'-C3' 112.291 -2.139 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C4'-C3'-C2' 100.725 -1.975 . 0.025 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 0 C4'-C3'-C2' 98.9 -3.8 . 0.244 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 C4'-C3'-C2' 99.304 -3.396 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 C4'-C3'-C2' 99.83 -2.87 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 111.64 3.44 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 O4'-C1'-N19 111.714 3.514 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.455 0.169 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 41.2 p -142.03 164.99 28.68 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.751 1.621 . . . . 0.0 111.642 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . 0.46 ' CG1' ' H21' ' B' ' 16' ' ' ' G' . 13.6 p -151.67 149.16 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.294 1.438 . . . . 0.0 110.544 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.88 149.5 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 126.161 1.784 . . . . 0.0 109.58 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 7.8 t -136.6 2.23 2.66 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -178.94 178.96 48.95 Favored Glycine 0 CA--C 1.533 1.211 0 O-C-N 120.576 -1.328 . . . . 0.0 114.492 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -137.97 -16.56 1.27 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.881 1.272 . . . . 0.0 113.746 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -140.45 156.24 46.43 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.769 1.627 . . . . 0.0 111.496 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -64.86 171.88 3.18 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.68 1.192 . . . . 0.0 113.785 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -146.99 167.05 24.97 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.16 1.784 . . . . 0.0 110.838 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 44.9 mtm105 -135.91 152.1 50.66 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.202 1.401 . . . . 0.0 112.161 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -131.67 19.03 4.69 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.115 1.766 . . . . 0.0 111.388 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.27 -178.54 48.39 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.933 1.73 . . . . 0.0 113.153 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . -176.64 -178.12 46.14 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.053 1.787 . . . . 0.0 112.118 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.97 156.16 44.82 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.365 1.066 . . . . 0.0 113.62 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -145.13 -14.58 0.52 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.797 1.639 . . . . 0.0 113.711 176.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -53.09 -28.32 24.6 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 126.011 1.724 . . . . 0.0 114.744 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -59.78 -12.2 6.8 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.425 1.49 . . . . 0.0 113.699 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 95.0 p 35.9 37.9 0.05 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.47 3.108 . . . . 0.0 117.161 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 50.53 40.3 23.14 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.191 1.396 . . . . 0.0 112.812 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.52 159.3 2.14 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.063 1.345 . . . . 0.0 113.669 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' C' ' 124' ' ' ASP . 39.9 t0 -129.78 133.25 46.87 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.244 1.818 . . . . 0.0 106.323 173.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 80.4 mtt85 -72.63 27.49 0.06 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.618 1.967 . . . . 0.0 114.406 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' C' ' 122' ' ' ASP . 11.8 m-20 -129.03 2.66 5.27 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 128.212 2.605 . . . . 0.0 112.441 173.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -127.02 123.56 37.34 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 120.21 1.368 . . . . 0.0 112.781 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.53 128.47 35.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.555 1.542 . . . . 0.0 114.294 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.02 -19.45 60.05 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 121.421 -0.799 . . . . 0.0 112.936 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' TYR . . . . . 0.459 ' CE1' " H2'" ' B' ' 34' ' ' ' A' . 22.3 t80 -79.81 -34.54 39.47 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -137.11 -4.37 1.92 Allowed 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 76.54 -3.05 2.6 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 127.727 2.411 . . . . 0.0 115.626 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.44 154.09 39.45 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.799 1.182 . . . . 0.0 112.674 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -102.92 141.34 35.89 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.103 1.361 . . . . 0.0 111.775 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.12 -7.03 21.42 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 126.279 1.895 . . . . 0.0 114.949 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -154.94 177.53 11.2 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.96 1.304 . . . . 0.0 112.898 -178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -115.09 165.46 12.88 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.321 2.248 . . . . 0.0 109.332 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.5 -41.43 53.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.209 1.004 . . . . 0.0 112.913 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.83 -14.55 9.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.968 1.707 . . . . 0.0 114.411 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.25 12.61 5.56 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.189 2.196 . . . . 0.0 111.992 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.08 131.7 89.66 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 123.66 0.784 . . . . 0.0 111.334 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.75 -9.48 25.66 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.92 2.413 . . . . 0.0 113.163 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -88.36 -17.3 30.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.315 1.046 . . . . 0.0 113.478 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -68.41 145.81 97.5 Favored Pre-proline 0 N--CA 1.477 0.898 0 CA-C-N 119.057 0.844 . . . . 0.0 111.62 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -72.86 -14.02 26.65 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.264 2.643 . . . . 0.0 114.488 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -135.23 33.07 3.1 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.577 1.551 . . . . 0.0 113.442 -177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -168.28 162.75 36.54 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.588 1.089 . . . . 0.0 113.137 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.75 -14.78 5.26 Favored 'Cis proline' 0 CA--C 1.549 1.254 0 CA-C-N 118.673 1.237 . . . . 0.0 114.482 -27.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -141.04 38.49 1.77 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.615 1.566 . . . . 0.0 113.059 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 47.66 52.58 14.87 Favored Glycine 0 CA--C 1.546 2.031 0 C-N-CA 125.812 1.672 . . . . 0.0 116.65 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -72.62 171.86 16.34 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.996 3.131 . . . . 0.0 112.894 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -143.25 134.55 12.7 Favored Pre-proline 0 N--CA 1.477 0.882 0 C-N-CA 125.561 1.544 . . . . 0.0 110.864 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.7 171.54 17.06 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.387 2.725 . . . . 0.0 112.591 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -145.92 159.06 43.76 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.938 1.295 . . . . 0.0 112.299 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 7.8 t -158.48 178.37 10.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.675 1.59 . . . . 0.0 111.139 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 13.5 t -149.58 165.09 33.31 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.4 1.48 . . . . 0.0 112.125 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -139.5 7.36 2.35 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.417 1.887 . . . . 0.0 114.07 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.471 0.59 0 C-N-CA 125.038 1.335 . . . . 0.0 111.085 -178.722 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.46 0.171 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.6 m 72.58 -26.44 0.18 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 127.496 2.318 . . . . 0.0 114.958 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -142.63 145.27 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.268 1.427 . . . . 0.0 110.712 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.1 t -136.44 20.81 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.049 1.34 . . . . 0.0 112.361 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -152.08 175.66 12.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.968 1.707 . . . . 0.0 111.833 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.29 -175.01 44.2 Favored Glycine 0 CA--C 1.534 1.279 0 O-C-N 121.405 -0.81 . . . . 0.0 114.728 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -143.49 144.06 31.83 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.987 1.315 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.07 -29.38 68.52 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.917 1.287 . . . . 0.0 113.857 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -79.46 -0.65 33.96 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.777 1.631 . . . . 0.0 113.999 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -124.55 25.53 7.54 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.347 1.459 . . . . 0.0 112.828 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -149.43 175.14 11.73 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.676 1.591 . . . . 0.0 113.29 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -130.59 9.27 5.04 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.182 1.793 . . . . 0.0 111.966 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.16 -168.67 34.65 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.29 1.424 . . . . 0.0 112.988 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.28 32.96 0.18 Allowed Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.577 1.56 . . . . 0.0 112.365 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 mp0 -137.35 150.11 47.48 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.786 1.635 . . . . 0.0 112.113 -174.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -161.08 159.38 29.11 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.629 1.972 . . . . 0.0 109.743 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -134.44 165.88 24.16 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.251 1.42 . . . . 0.0 112.539 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.4 mtm-85 51.91 31.04 7.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.787 2.035 . . . . 0.0 115.008 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -55.3 -26.15 38.62 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -142.96 49.38 1.47 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.868 1.667 . . . . 0.0 109.646 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -142.2 132.62 25.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.196 0.998 . . . . 0.0 111.167 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -149.21 174.5 12.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 128.352 2.661 . . . . 0.0 108.383 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -10.83 11.29 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.39 12.38 31.64 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.688 1.595 . . . . 0.0 112.191 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -132.5 159.76 38.45 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.7 t -85.73 127.37 34.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.317 1.847 . . . . 0.0 112.413 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.84 66.93 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -83.75 -57.09 3.36 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.6 p -102.21 -7.5 22.11 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mptt 70.05 10.02 7.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.317 2.247 . . . . 0.0 114.888 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -72.04 172.23 10.44 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.949 0.9 . . . . 0.0 110.924 172.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -111.2 164.66 12.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 114.026 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.55 -1.6 88.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.627 1.584 . . . . 0.0 115.582 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -155.35 172.44 18.21 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.323 1.449 . . . . 0.0 111.956 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -113.25 166.18 11.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.597 1.959 . . . . 0.0 109.834 176.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.29 -32.95 18.33 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -52.92 -24.03 8.4 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.66 1.984 . . . . 0.0 114.255 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -127.49 16.0 7.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.584 1.953 . . . . 0.0 112.874 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.9 t -55.64 125.71 61.75 Favored Pre-proline 0 CA--C 1.555 1.165 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.73 -17.4 37.74 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 123.026 2.484 . . . . 0.0 113.492 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -70.57 -25.4 63.06 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.005 0.922 . . . . 0.0 111.681 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.52 147.51 94.84 Favored Pre-proline 0 N--CA 1.476 0.873 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -77.62 3.98 6.4 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 124.567 3.511 . . . . 0.0 115.258 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -138.79 160.38 39.82 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.631 1.572 . . . . 0.0 111.977 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.87 -42.09 37.36 Favored Glycine 0 CA--C 1.544 1.855 0 C-N-CA 126.064 1.792 . . . . 0.0 116.919 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -59.21 -23.58 2.48 Favored 'Cis proline' 0 CA--C 1.543 0.925 0 CA-C-N 119.928 1.864 . . . . 0.0 114.885 -28.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -64.92 157.6 27.59 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.35 1.06 . . . . 0.0 112.923 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.95 50.66 0.13 Allowed Glycine 0 CA--C 1.542 1.75 0 CA-C-O 118.313 -1.271 . . . . 0.0 115.154 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -73.47 169.56 22.02 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.411 2.74 . . . . 0.0 113.028 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -149.08 138.19 12.39 Favored Pre-proline 0 N--CA 1.476 0.848 0 C-N-CA 126.049 1.74 . . . . 0.0 110.492 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.2 168.39 23.48 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.709 2.273 . . . . 0.0 111.682 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -121.44 0.34 9.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.713 1.205 . . . . 0.0 113.492 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 p -130.43 -1.07 4.44 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.998 1.719 . . . . 0.0 113.726 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.6 m -139.51 22.55 2.53 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.515 1.526 . . . . 0.0 113.375 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 tt . . . . . 0 N--CA 1.475 0.777 0 C-N-CA 126.924 2.09 . . . . 0.0 113.104 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.428 0 C5'-C4'-O4' 112.633 2.452 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C4'-C3'-C2' 99.32 -3.38 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 111.643 3.443 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C4'-C3'-C2' 99.184 -3.516 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 O4'-C1'-N19 111.722 3.522 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.522 0 C3'-C2'-C1' 104.555 3.395 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 P-O3'-C3' 122.933 2.694 . 0.125 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C3'-C2'-C1' 104.955 3.839 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 2.359 2 C3'-C2'-C1' 106.679 5.755 . 0.216 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.361 2 P-O3'-C3' 125.26 4.633 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.463 3.263 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.448 1 O4'-C1'-N19 112.299 4.099 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.143 0 C4'-C3'-C2' 100.047 -2.653 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.05 -3.65 . 0.01 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 0 C5'-C4'-O4' 113.156 2.826 . 0.551 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.143 0 O4'-C1'-N19 111.792 3.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.818 0 O5'-C5'-C4' 115.387 3.705 . 0.021 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.571 1 C3'-C2'-C1' 106.323 5.359 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.953 0 N19-C1'-C2' 117.811 2.757 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.766 1 P-O3'-C3' 124.851 4.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C4'-C3'-C2' 98.741 -3.959 . 0.139 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 O4'-C1'-N19 111.032 2.832 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C5'-C4'-C3' 111.613 -2.591 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 2 O4'-C1'-N19 112.593 4.393 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.782 1 O4'-C1'-N19 113.007 4.807 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 O4'-C1'-N19 111.528 3.328 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 1 O4'-C1'-N19 112.253 4.053 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 112.052 3.852 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C5'-C4'-O4' 113.193 2.852 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C3'-C2'-C1' 104.033 2.815 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . 0.435 " H2'" ' C6 ' ' B' ' 33' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.11 -3.59 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . 0.435 ' C6 ' " H2'" ' B' ' 32' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 O4'-C1'-N19 111.502 3.302 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.724 0 O5'-C5'-C4' 115.437 3.741 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.345 0 O4'-C1'-N19 111.534 3.334 . 0.074 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C5'-C4'-O4' 114.205 3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C3'-C2'-C1' 105.086 3.985 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 2 C4'-C3'-C2' 98.045 -4.655 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 40' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.126 0 O4'-C1'-N19 111.439 3.239 . 0.244 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . 0.415 ' C6 ' " H2'" ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 O4'-C1'-N19 111.44 3.24 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C4'-C3'-C2' 98.716 -3.984 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 99.679 -3.021 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C5'-C4'-O4' 113.294 2.924 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 99.112 -3.588 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.251 0 C5'-C4'-O4' 113.181 2.844 . 0.297 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 O4'-C1'-N19 111.674 3.474 . 0.159 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 N19-C1'-C2' 117.351 2.47 . 0.109 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.589 0 C3'-C2'-C1' 104.979 3.865 . 0.092 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.788 3.588 . 0.014 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 111.996 3.796 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 0 C4'-C3'-C2' 99.642 -3.058 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.271 0 C4'-C3'-C2' 99.817 -2.883 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.313 0 C4'-C3'-C2' 99.899 -2.801 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 O4'-C1'-N19 111.878 3.678 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.436 0 C3'-C2'-C1' 104.266 3.073 . 0.088 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.517 3 O4'-C1'-N19 115.021 6.821 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C5'-C4'-O4' 113.323 2.945 . 0.258 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.679 1 O4'-C1'-N19 112.559 4.359 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.841 0 C5'-C4'-O4' 113.675 3.196 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.286 0 O4'-C1'-N19 112.116 3.916 OUTLIER-DELTA 0.01 5d . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.375 0 P-O3'-C3' 123.49 3.158 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 C4'-C3'-C2' 99.48 -3.22 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . 0.401 " H2'" ' C8 ' ' B' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 O4'-C1'-N19 111.525 3.325 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . 0.401 ' C8 ' " H2'" ' B' ' 63' ' ' ' C' . . . . . . . . 0 C5'--C4' 1.538 2.158 0 C4'-C3'-C2' 99.804 -2.896 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 0 O4'-C1'-N19 112.18 3.98 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.283 0 P-O3'-C3' 122.547 2.372 . 0.383 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 O4'-C4'-C3' 109.448 2.82 . 0.306 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.194 0 C5'-C4'-O4' 113.816 3.297 . 0.135 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.531 -3.169 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C4'-C3'-C2' 99.248 -3.452 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 111.575 3.375 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.761 3.561 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.275 0 CA-C-O 120.651 0.262 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 7.3 t -153.16 174.19 14.55 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.218 1.407 . . . . 0.0 111.445 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -68.66 120.58 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.851 1.26 . . . . 0.0 110.252 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.83 11.16 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.257 1.423 . . . . 0.0 113.554 -178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 24.3 m -154.34 165.64 35.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.181 1.792 . . . . 0.0 111.342 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -167.62 174.49 42.68 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.543 1.068 . . . . 0.0 113.661 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -66.21 149.85 49.7 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.789 1.236 . . . . 0.0 112.89 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -136.35 166.71 22.82 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.909 2.083 . . . . 0.0 109.574 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -139.24 139.69 37.5 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.822 1.649 . . . . 0.0 110.484 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.54 137.26 58.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.134 0.974 . . . . 0.0 111.064 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -60.58 163.31 5.52 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -142.85 -28.82 0.56 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.016 2.126 . . . . 0.0 111.506 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -176.6 170.02 42.67 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 127.346 2.403 . . . . 0.0 110.688 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.82 -176.32 43.68 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 118.223 1.011 . . . . 0.0 115.238 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -68.14 -3.38 10.26 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.911 1.684 . . . . 0.0 114.825 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -56.64 -25.19 52.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.905 1.682 . . . . 0.0 115.037 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -53.49 140.01 29.36 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 119.767 1.167 . . . . 0.0 112.885 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -136.24 153.59 51.16 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.825 2.05 . . . . 0.0 110.639 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 1.6 t 37.43 40.25 0.2 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 126.828 2.051 . . . . 0.0 115.707 177.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 51.53 30.79 6.75 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.606 1.962 . . . . 0.0 114.803 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 3.4 tt -61.7 134.76 57.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.092 1.757 . . . . 0.0 109.354 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -131.59 143.43 50.34 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.599 1.16 . . . . 0.0 110.414 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.34 5.96 0.66 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.409 1.884 . . . . 0.0 114.701 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -107.65 -7.68 16.36 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.038 1.735 . . . . 0.0 112.774 174.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -90.2 170.24 10.46 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.024 1.33 . . . . 0.0 111.992 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 14.0 t -105.31 129.56 53.63 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.305 1.842 . . . . 0.0 109.844 174.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.77 74.37 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -81.49 -36.04 29.73 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.48 -6.34 7.0 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.25 32.0 mmtp 73.47 3.92 4.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.943 2.097 . . . . 0.0 115.534 177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.0 177.96 2.94 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.401 1.08 . . . . 0.0 110.68 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -130.96 161.05 32.76 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.315 1.046 . . . . 0.0 113.589 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.68 -4.66 59.7 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 125.582 1.563 . . . . 0.0 113.56 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -154.72 168.59 26.33 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.107 2.163 . . . . 0.0 110.43 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -109.17 166.86 10.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.489 1.516 . . . . 0.0 110.355 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.65 23.32 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.22 -20.92 12.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.36 2.264 . . . . 0.0 113.537 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.27 16.68 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.998 2.119 . . . . 0.0 113.026 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.2 122.11 28.27 Favored Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -72.17 -14.15 28.65 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.923 2.416 . . . . 0.0 113.406 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -72.12 -21.05 61.53 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.933 0.893 . . . . 0.0 111.48 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -72.56 143.44 85.09 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.332 0.653 . . . . 0.0 111.825 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -74.24 168.31 25.1 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.333 2.688 . . . . 0.0 112.641 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -147.87 148.11 30.5 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.492 1.517 . . . . 0.0 110.742 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 157.61 -37.48 0.54 Allowed Glycine 0 CA--C 1.543 1.817 0 CA-C-O 117.359 -1.801 . . . . 0.0 115.821 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -47.82 154.5 4.78 Favored 'Cis proline' 0 C--N 1.355 0.904 0 CA-C-N 120.132 1.966 . . . . 0.0 113.638 -28.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -159.33 155.41 26.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.15 1.38 . . . . 0.0 111.605 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.01 49.12 0.05 OUTLIER Glycine 0 CA--C 1.542 1.763 0 N-CA-C 116.534 1.374 . . . . 0.0 116.534 177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -71.43 156.02 59.0 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.188 2.592 . . . . 0.0 111.956 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -150.19 70.19 9.13 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 125.021 1.328 . . . . 0.0 112.505 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.62 -10.67 17.16 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 123.983 3.122 . . . . 0.0 114.151 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -146.44 146.2 30.5 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.916 1.686 . . . . 0.0 110.283 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 9.4 t -156.35 176.04 13.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.42 1.488 . . . . 0.0 111.227 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 19.1 t -150.78 150.04 30.5 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.525 1.53 . . . . 0.0 111.439 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 10.1 tt -151.2 142.53 23.36 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.731 1.612 . . . . 0.0 110.405 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.245 1.418 . . . . 0.0 111.308 179.511 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 120.58 0.229 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.5 p -138.65 166.6 23.94 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.747 1.619 . . . . 0.0 111.36 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 p -152.88 150.04 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.88 1.272 . . . . 0.0 110.769 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -151.57 152.29 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.677 1.591 . . . . 0.0 110.42 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p -70.25 163.88 25.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.848 1.259 . . . . 0.0 113.544 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.13 -179.66 47.9 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.243 0.925 . . . . 0.0 114.235 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -150.83 161.91 41.76 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.697 1.999 . . . . 0.0 109.689 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -58.31 163.45 3.0 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -137.67 177.18 8.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.058 2.143 . . . . 0.0 109.538 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -135.58 159.66 40.91 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.215 1.406 . . . . 0.0 110.522 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -148.28 170.91 16.86 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.285 1.216 . . . . 0.0 114.285 -176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -148.55 145.28 27.79 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.545 1.938 . . . . 0.0 109.483 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.56 174.92 47.06 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.033 0.825 . . . . 0.0 113.468 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.75 -175.62 39.92 Favored Glycine 0 CA--C 1.532 1.142 0 O-C-N 121.634 -0.921 . . . . 0.0 114.972 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -107.88 -1.93 20.31 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.762 1.625 . . . . 0.0 112.397 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -137.0 23.04 3.05 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 127.227 2.211 . . . . 0.0 111.561 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -137.87 158.07 45.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.738 2.415 . . . . 0.0 110.132 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -54.04 -25.83 23.45 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.526 1.53 . . . . 0.0 114.693 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 40.23 42.16 1.14 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.522 2.329 . . . . 0.0 115.108 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 51.25 34.58 11.72 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.984 1.714 . . . . 0.0 114.207 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.0 mt 44.6 61.71 2.33 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 127.164 2.186 . . . . 0.0 114.191 -177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -57.63 131.14 49.33 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 113.941 -1.481 . . . . 0.0 109.485 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -67.6 -5.98 18.08 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.974 -1.078 . . . . 0.0 113.196 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -96.19 5.55 50.8 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.479 1.511 . . . . 0.0 112.103 172.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -129.63 155.3 46.06 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.847 1.259 . . . . 0.0 113.639 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.8 t -77.16 131.23 38.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.652 1.581 . . . . 0.0 113.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.3 -8.48 56.39 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -106.91 -25.91 11.44 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.551 1.685 . . . . 0.0 115.551 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.01 -3.34 2.5 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 69.72 2.6 3.89 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.144 2.178 . . . . 0.0 115.189 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -62.76 154.55 29.29 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.672 1.124 . . . . 0.0 111.644 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -87.81 160.48 18.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.521 1.528 . . . . 0.0 113.504 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.73 0.75 56.41 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 117.136 1.614 . . . . 0.0 117.136 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -148.07 171.56 15.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.257 1.529 . . . . 0.0 112.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -120.79 163.48 18.08 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.261 1.824 . . . . 0.0 111.328 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.53 -37.86 18.83 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.773 1.229 . . . . 0.0 112.547 177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -52.63 -22.25 4.86 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.649 1.98 . . . . 0.0 114.417 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -129.03 12.76 6.19 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.7 2.0 . . . . 0.0 113.29 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.5 t -60.61 134.75 91.89 Favored Pre-proline 0 CA--C 1.552 1.034 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.12 -17.51 45.55 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 123.011 2.474 . . . . 0.0 113.377 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -69.53 -23.08 63.54 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.943 0.792 . . . . 0.0 112.53 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -83.71 155.68 65.11 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 124.399 1.08 . . . . 0.0 113.046 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.7 -14.35 39.09 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.557 2.838 . . . . 0.0 114.064 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -59.49 152.32 22.04 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.789 1.636 . . . . 0.0 111.252 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' H ' ' HA ' ' A' ' 46' ' ' PRO . . . -152.81 -40.17 0.02 OUTLIER Glycine 0 CA--C 1.539 1.544 0 CA-C-O 117.485 -1.73 . . . . 0.0 115.812 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HA ' ' H ' ' A' ' 45' ' ' GLY . 49.7 Cg_endo -60.87 -1.31 0.85 Allowed 'Cis proline' 0 CA--C 1.546 1.081 0 CA-C-N 120.273 2.037 . . . . 0.0 116.057 -28.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 57.92 29.78 18.13 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.891 1.676 . . . . 0.0 113.443 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.56 56.09 0.04 OUTLIER Glycine 0 CA--C 1.541 1.674 0 C-N-CA 126.973 2.225 . . . . 0.0 112.726 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -69.78 165.54 30.67 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.312 2.675 . . . . 0.0 113.407 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -140.0 83.82 15.72 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 125.949 1.699 . . . . 0.0 110.265 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.87 160.64 48.74 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.308 2.672 . . . . 0.0 112.511 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -152.69 168.4 25.78 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.435 1.494 . . . . 0.0 112.095 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.5 t -152.93 168.06 27.08 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.185 1.394 . . . . 0.0 111.432 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 t -155.4 161.98 40.89 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.513 1.525 . . . . 0.0 111.589 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 125.703 1.601 . . . . 0.0 110.557 179.744 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.191 0 C4'-C3'-C2' 99.778 -2.922 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 0 C4'-C3'-C2' 99.647 -3.053 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C4'-C3'-C2' 99.26 -3.44 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 O4'-C1'-N19 111.833 3.633 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 0 O4'-C1'-N19 111.801 3.601 OUTLIER-EPSILON 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.563 4.114 3 P-O3'-C3' 138.633 15.778 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 2 O4'-C1'-N19 112.286 4.086 . 0.163 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 C1'-O4'-C4' 106.107 -3.881 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.553 2.518 1 C4'-C3'-C2' 97.39 -5.31 . 0.01 5j . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.735 0 P-O3'-C3' 124.024 3.603 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.975 1 O4'-C1'-N19 112.627 4.427 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.36 1 O4'-C1'-N19 113.412 5.212 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.508 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 C5'-C4'-O4' 114.125 3.518 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . 0.508 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.33 3.13 . 0.374 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C5'-C4'-O4' 112.957 2.684 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.19 0 O4'-C1'-N19 111.304 3.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C3'-C2'-C1' 103.914 2.683 . 0.203 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.647 1 C3'-C2'-C1' 105.946 4.94 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.946 0 N19-C1'-C2' 118.187 2.992 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.471 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.626 3.285 0 C5'-C4'-O4' 114.342 3.673 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . 0.41 " H2'" ' C8 ' ' B' ' 23' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.436 1 C4'-C3'-C2' 98.543 -4.157 . 0.791 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . 0.41 ' C8 ' " H2'" ' B' ' 22' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 P-O3'-C3' 122.542 2.369 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.988 0 C3'-C2'-C1' 104.024 2.805 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 2 O4'-C1'-N19 113.579 5.379 . 0.73 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.822 2 C5'-C4'-O4' 115.67 4.622 . 0.273 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.235 0 C5'-C4'-O4' 113.147 2.819 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 99.788 -2.912 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O4'-C1'-N19 111.053 2.853 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C3'-C2'-C1' 103.346 2.051 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 1 C3'-C2'-C1' 105.444 4.383 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 112.043 3.843 . 0.099 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.541 1 C3'-C2'-C1' 106.102 5.113 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.353 0 O5'-C5'-C4' 115.164 3.546 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 2 C4'-C3'-C2' 96.999 -5.701 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . 0.704 " H4'" HH12 ' C' ' 118' ' ' ARG . . . . . . . . 0 O3'--C3' 1.461 2.73 1 P-O5'-C5' 128.892 4.995 OUTLIER-DELTA 0.0 OUTLIER beta 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C5'-C4'-C3' 110.594 -3.271 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 4 C4'-C3'-C2' 96.559 -6.141 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.263 -3.437 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.635 3.435 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C4'-C3'-C2' 99.715 -2.985 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 C5'-C4'-O4' 113.146 2.819 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 C4'-C3'-C2' 99.605 -3.095 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 1 C4'-C3'-C2' 98.697 -4.003 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.8 0 O4'-C1'-N19 111.628 3.428 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . 0.471 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.389 1 C4'-C3'-O3' 121.173 4.067 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . 0.404 " H3'" H5'' ' B' ' 48' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.308 1 P-O3'-C3' 126.833 5.944 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . 0.404 H5'' " H3'" ' B' ' 47' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 C3'-C2'-C1' 104.284 3.094 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.064 0 O4'-C1'-N19 111.786 3.586 . 0.126 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 2 C4'-C3'-C2' 98.529 -4.171 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 99.721 -2.979 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.147 0 C4'-C3'-C2' 99.817 -2.883 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 C5'-C4'-O4' 112.836 2.597 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 O4'-C1'-N19 111.811 3.611 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.341 -3.359 . 0.353 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 2 P-O3'-C3' 126.111 5.342 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C5'-C4'-O4' 112.965 2.689 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.773 1 O4'-C1'-N19 114.958 6.758 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.371 0 C5'-C4'-O4' 112.629 2.449 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.132 1 P-O3'-C3' 125.026 4.439 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 0 P-O3'-C3' 124.266 3.805 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.077 0 C4'-C3'-C2' 99.578 -3.122 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 O4'-C1'-N19 111.728 3.528 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 99.859 -2.841 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 99.558 -3.142 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.541 0 O4'-C4'-C3' 108.363 2.045 . 0.01 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 0 C4'-C3'-C2' 100.85 -1.85 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 99.689 -3.011 . 0.439 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 C4'-C3'-C2' 99.38 -3.32 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 99.482 -3.218 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.614 3.414 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 O4'-C1'-N19 111.785 3.585 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.387 0.137 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 5.1 t -136.66 -2.23 2.19 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 15.1 m -142.86 165.17 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 126.767 2.027 . . . . 0.0 110.824 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.08 163.11 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.7 1.6 . . . . 0.0 111.654 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 56.3 m -140.51 164.99 28.66 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.438 1.495 . . . . 0.0 112.076 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -173.94 178.43 45.82 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.836 1.207 . . . . 0.0 113.139 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -128.69 14.03 6.44 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.953 1.301 . . . . 0.0 113.848 -177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 55.13 20.31 3.27 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 126.5 1.92 . . . . 0.0 115.638 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -63.69 138.76 58.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.758 1.223 . . . . 0.0 111.776 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -147.94 -0.01 0.62 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -65.9 117.96 9.03 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.73 -1.231 . . . . 0.0 112.632 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -157.23 142.61 17.27 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.753 1.621 . . . . 0.0 109.865 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.95 173.49 33.64 Favored Glycine 0 CA--C 1.535 1.341 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.78 168.43 37.37 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 126.049 1.785 . . . . 0.0 112.326 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.46 7.35 3.31 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 20.3 tpt85 -64.44 133.06 51.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.51 1.124 . . . . 0.0 112.108 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -139.09 173.59 11.4 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.559 2.344 . . . . 0.0 109.964 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' ARG . . . . . 0.704 HH12 " H4'" ' B' ' 36' ' ' ' G' . 78.1 ttt180 -144.26 105.1 4.18 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.696 1.198 . . . . 0.0 112.977 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 16.4 m -51.97 -24.58 6.72 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.744 1.618 . . . . 0.0 114.891 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -76.08 3.93 9.49 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -133.84 149.36 51.37 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -155.85 139.9 16.4 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 130.991 3.716 . . . . 0.0 104.499 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -57.6 -14.98 6.15 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -173.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -109.8 18.09 20.53 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.926 1.29 . . . . 0.0 113.62 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -123.56 152.52 41.76 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.487 1.515 . . . . 0.0 113.892 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 43.0 t -74.93 130.96 40.29 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.354 -1.467 . . . . 0.0 112.19 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.76 -17.8 61.6 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 174.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -106.67 -70.54 0.79 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -173.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.1 p -82.72 -9.34 59.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.257 1.39 . . . . 0.0 114.56 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mttp 70.99 7.95 6.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.583 2.353 . . . . 0.0 115.359 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -68.33 166.43 16.58 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.284 0.947 . . . . 0.0 111.094 172.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -108.12 159.39 16.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 93.15 -3.79 73.46 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.604 1.573 . . . . 0.0 115.283 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -154.0 170.17 21.73 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.221 1.408 . . . . 0.0 112.077 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -109.59 163.41 13.49 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.516 1.926 . . . . 0.0 109.962 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.66 -35.39 60.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.18 -8.0 7.11 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.919 1.288 . . . . 0.0 114.055 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -130.71 10.81 5.16 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.711 2.404 . . . . 0.0 111.931 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.5 t -59.27 129.51 86.6 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 124.755 1.222 . . . . 0.0 113.447 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.2 -10.07 27.77 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 123.378 2.718 . . . . 0.0 113.391 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -121.08 18.16 11.65 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.861 1.264 . . . . 0.0 114.318 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -110.95 91.74 13.47 Favored Pre-proline 0 N--CA 1.482 1.132 0 C-N-CA 123.941 0.897 . . . . 0.0 111.598 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.03 176.05 10.44 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.186 2.59 . . . . 0.0 111.913 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -130.09 135.76 48.58 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.435 1.494 . . . . 0.0 110.349 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 155.87 -39.4 0.6 Allowed Glycine 0 CA--C 1.544 1.851 0 CA-C-O 117.579 -1.678 . . . . 0.0 114.442 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -55.65 167.38 9.36 Favored 'Cis proline' 0 C--N 1.356 0.925 0 CA-C-N 119.588 1.694 . . . . 0.0 113.713 -29.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 41.5 mtp-105 -129.31 27.6 5.32 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.413 1.485 . . . . 0.0 113.095 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 167.34 50.5 0.03 OUTLIER Glycine 0 CA--C 1.54 1.607 0 C-N-CA 125.86 1.695 . . . . 0.0 115.145 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.11 155.43 64.78 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.997 2.464 . . . . 0.0 110.671 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -133.99 69.73 74.73 Favored Pre-proline 0 N--CA 1.48 1.058 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.56 -27.14 81.53 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 123.188 2.592 . . . . 0.0 113.789 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -142.5 170.2 16.14 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.263 2.225 . . . . 0.0 110.521 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 9.7 t -150.69 167.32 27.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.992 1.317 . . . . 0.0 111.646 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 97.4 p -154.84 173.49 16.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.641 1.576 . . . . 0.0 112.535 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 17.7 tp -132.36 18.36 4.41 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.401 1.48 . . . . 0.0 112.638 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 124.921 1.288 . . . . 0.0 112.223 179.578 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.227 0.061 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.5 m -140.88 144.57 35.34 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.167 1.387 . . . . 0.0 110.595 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -150.23 154.8 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.554 1.542 . . . . 0.0 110.724 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -139.32 161.36 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.721 1.609 . . . . 0.0 111.555 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -153.21 171.84 17.88 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.334 1.454 . . . . 0.0 112.342 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.6 177.65 47.36 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.645 1.117 . . . . 0.0 113.516 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -149.04 161.24 42.34 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.519 1.528 . . . . 0.0 110.756 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 172.07 13.96 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.592 1.557 . . . . 0.0 112.717 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 57.22 27.48 13.65 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.193 1.797 . . . . 0.0 113.945 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.94 124.03 20.51 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.991 1.317 . . . . 0.0 111.596 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -65.79 123.04 18.69 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.546 1.138 . . . . 0.0 109.899 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -138.86 172.68 12.5 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.16 1.784 . . . . 0.0 112.037 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.29 177.94 40.46 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.108 1.337 . . . . 0.0 113.314 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.21 3.13 44.85 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.87 1.224 . . . . 0.0 114.817 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.37 4.55 0.71 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.829 2.051 . . . . 0.0 115.526 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -142.37 37.97 1.54 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.064 1.746 . . . . 0.0 111.952 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -137.01 -178.27 5.12 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 127.004 2.121 . . . . 0.0 112.273 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 mmt-85 62.18 4.67 1.29 Allowed 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 128.114 2.566 . . . . 0.0 117.445 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.3 p -59.43 -12.92 6.88 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -133.1 42.08 3.07 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.859 2.064 . . . . 0.0 111.48 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . 0.278 0.0 OUTLIER -53.49 150.41 6.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.094 1.358 . . . . 0.0 114.134 -178.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -94.2 163.04 13.61 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.611 1.164 . . . . 0.0 113.415 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -64.94 -2.04 2.39 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.018 1.727 . . . . 0.0 114.655 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -109.88 6.55 23.42 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.568 1.947 . . . . 0.0 112.558 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -127.13 163.36 23.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.013 1.325 . . . . 0.0 111.929 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.1 t -91.74 143.59 26.38 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.525 1.13 . . . . 0.0 113.222 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.0 -1.71 48.4 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.97 1.308 . . . . 0.0 113.486 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -110.0 -28.72 8.57 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -132.34 -4.05 3.42 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.768 1.395 . . . . 0.0 114.768 176.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 mptt 71.96 5.4 5.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 127.463 2.305 . . . . 0.0 115.69 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -69.19 -179.3 1.53 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.647 1.179 . . . . 0.0 112.814 174.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.65 160.2 23.76 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.247 1.419 . . . . 0.0 113.036 -178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.33 -2.5 87.77 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 125.345 1.45 . . . . 0.0 116.065 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -152.65 174.48 13.93 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.144 1.378 . . . . 0.0 111.659 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -120.34 168.45 11.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.514 1.925 . . . . 0.0 110.712 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.41 -41.0 8.76 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.968 1.707 . . . . 0.0 112.792 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -52.89 -20.1 3.06 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 127.479 2.312 . . . . 0.0 114.681 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.25 13.23 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.241 2.216 . . . . 0.0 112.277 -177.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -62.17 131.09 93.41 Favored Pre-proline 0 CA--C 1.553 1.087 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.45 -14.86 40.91 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 123.157 2.572 . . . . 0.0 113.095 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -66.6 -24.86 66.39 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.225 1.01 . . . . 0.0 111.744 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -73.39 148.33 88.18 Favored Pre-proline 0 N--CA 1.475 0.781 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.09 158.7 6.42 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 124.165 3.243 . . . . 0.0 114.27 175.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.3 ptt85 -58.42 148.8 26.76 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.451 1.1 . . . . 0.0 113.01 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.09 -48.79 0.39 Allowed Glycine 0 CA--C 1.536 1.392 0 CA-C-O 118.478 -1.179 . . . . 0.0 113.831 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.98 -3.22 4.27 Favored 'Cis proline' 0 CA--C 1.547 1.127 0 N-CA-C 115.954 1.482 . . . . 0.0 115.954 -28.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 -123.12 40.69 3.65 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.941 1.696 . . . . 0.0 112.321 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.98 -154.03 21.04 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 124.583 1.087 . . . . 0.0 112.443 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -66.46 166.89 20.24 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.333 2.689 . . . . 0.0 112.406 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -135.81 134.26 20.53 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 124.846 1.258 . . . . 0.0 111.941 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.51 174.72 12.1 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 123.607 2.872 . . . . 0.0 112.578 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -127.48 9.55 6.6 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.327 1.451 . . . . 0.0 113.672 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.0 p -143.48 165.8 26.56 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.941 2.096 . . . . 0.0 111.131 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.8 m -140.57 159.06 43.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.306 1.443 . . . . 0.0 111.82 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 125.359 1.464 . . . . 0.0 111.314 179.789 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C4'-C3'-C2' 99.657 -3.043 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C4'-C3'-C2' 99.866 -2.834 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.921 0 C4'-C3'-C2' 98.818 -3.882 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.076 1 O4'-C1'-N19 112.684 4.484 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.387 0 O4'-C1'-N19 112.085 3.885 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.737 1 O4'-C1'-N19 112.807 4.607 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.155 1 O4'-C1'-N19 113.516 5.316 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 1 C1'-O4'-C4' 105.562 -4.486 . 0.131 5n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 1 C4'-C3'-C2' 98.615 -4.085 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.286 0 C5'-C4'-O4' 114.773 3.98 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.99 0 O4'-C1'-N19 112.092 3.892 . 0.877 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 1 O4'-C1'-N19 112.503 4.303 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.098 0 O4'-C1'-N19 111.11 2.91 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.294 2 O4'-C1'-N19 112.499 4.299 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C5'-C4'-O4' 114.107 3.505 OUTLIER-EPSILON 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.579 -2.364 1 P-O3'-C3' 137.604 14.92 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.556 -4.268 0 O4'-C4'-C3' 108.818 2.37 . 0.163 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.55 1 O4'-C1'-N19 112.619 4.419 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.35 2 O4'-C1'-N19 112.913 4.713 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.498 ' H62' ' N2 ' ' B' ' 46' ' ' ' G' . . . . . . . . 0 P--O5' 1.625 3.185 1 C5'-C4'-O4' 114.995 4.14 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 2 O4'-C1'-N19 112.647 4.447 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.083 0 O4'-C1'-N19 111.511 3.311 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.586 -3.114 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 2 C4'-C3'-C2' 97.269 -5.431 . 0.599 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 1 C5'-C4'-O4' 116.263 5.045 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 C4'-C3'-C2' 99.842 -2.858 . 0.915 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.452 -3.248 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 111.743 3.543 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 100.251 -2.449 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C3'-C2'-C1' 104.425 3.251 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 110.958 2.758 . 0.558 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.533 0 C3'-C2'-C1' 104.683 3.536 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . 0.422 " H2'" ' CD1' ' C' ' 128' ' ' TYR . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C4'-C3'-O3' 120.003 3.616 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 1 P-O3'-C3' 126.146 5.372 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 O4'-C1'-N19 111.483 3.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . 0.421 " H3'" " H4'" ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.952 3.752 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.421 " H4'" " H3'" ' B' ' 37' ' ' ' G' . . . . . . . . 0 P--O5' 1.623 2.988 2 O4'-C1'-N19 115.821 7.621 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 C5'-C4'-O4' 114.594 3.853 . 0.158 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 O4'-C1'-N19 111.755 3.555 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C4'-C3'-C2' 99.491 -3.209 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.302 0 C5'-C4'-O4' 112.894 2.639 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 0 C4'-C3'-C2' 100.277 -2.423 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 98.9 -3.8 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.597 1 C3'-C2'-C1' 105.235 4.15 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . 0.498 ' N2 ' ' H62' ' B' ' 21' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.545 1.949 2 O4'-C1'-N19 113.811 5.611 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 C4'-C3'-C2' 98.955 -3.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.415 0 P-O3'-C3' 124.402 3.918 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 P-O3'-C3' 123.724 3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.961 3.761 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.038 0 C4'-C3'-C2' 99.192 -3.508 . 0.593 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.188 0 C4'-C3'-C2' 99.23 -3.47 . 0.594 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.364 0 C5'-C4'-O4' 114.083 3.488 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 O4'-C1'-N19 111.694 3.494 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C4'-C3'-C2' 99.563 -3.137 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.148 2 O4'-C1'-N19 113.384 5.184 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 O4'-C1'-N19 111.254 3.054 . 0.537 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 O4'-C1'-N19 111.604 3.404 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . 0.435 " H3'" " H3'" ' B' ' 60' ' ' ' U' . . . . . . . . 0 P--O5' 1.618 2.511 1 O4'-C1'-N19 114.527 6.327 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . 0.435 " H3'" " H3'" ' B' ' 59' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.547 2.844 0 C4'-C3'-O3' 118.187 2.918 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.071 0 P-O3'-C3' 123.575 3.229 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 99.441 -3.259 . 0.894 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 O4'-C1'-N19 111.705 3.505 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.022 0 C4'-C3'-C2' 100.199 -2.501 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 O4'-C1'-N19 111.523 3.323 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.199 0 P-O3'-C3' 122.44 2.283 . 0.682 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 C4'-C3'-C2' 100.51 -2.19 . 0.104 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C4'-C3'-C2' 100.055 -2.645 . 0.696 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 99.495 -3.205 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 C4'-C3'-C2' 99.842 -2.858 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 99.433 -3.267 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 O4'-C1'-N19 111.629 3.429 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 23.1 p -140.71 157.15 45.84 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.575 1.55 . . . . 0.0 111.821 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 24.4 m -143.16 167.83 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 126.211 1.804 . . . . 0.0 111.402 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 27.7 m -63.39 159.99 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.34 1.056 . . . . 0.0 112.518 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -147.26 166.18 27.85 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.592 1.157 . . . . 0.0 112.27 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.8 -174.55 47.13 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.862 1.696 . . . . 0.0 112.721 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -138.63 154.06 48.64 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.094 1.358 . . . . 0.0 111.429 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -142.33 163.94 31.5 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.262 1.825 . . . . 0.0 111.396 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -67.14 153.78 42.83 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.298 1.039 . . . . 0.0 112.519 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -66.31 138.33 57.55 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.956 1.302 . . . . 0.0 112.591 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -136.13 16.88 3.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.491 1.917 . . . . 0.0 112.909 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -134.98 -33.82 0.91 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.747 1.219 . . . . 0.0 113.805 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.88 162.7 53.93 Favored Glycine 0 CA--C 1.534 1.277 0 O-C-N 121.417 -0.802 . . . . 0.0 113.238 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.34 -164.75 35.73 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 124.361 0.981 . . . . 0.0 112.768 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -60.69 156.66 16.32 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.239 1.015 . . . . 0.0 113.642 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -118.16 20.53 13.15 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.477 1.911 . . . . 0.0 112.909 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -124.24 7.37 8.46 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 126.692 1.997 . . . . 0.0 113.969 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -67.18 161.67 24.21 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.257 1.023 . . . . 0.0 112.151 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 36.0 m -40.89 104.34 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.998 2.119 . . . . 0.0 114.378 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 47.29 38.3 6.99 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.81 2.044 . . . . 0.0 114.44 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 15.0 mt -139.44 164.28 30.28 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.626 1.679 . . . . 0.0 115.039 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -148.59 154.73 40.14 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 130.737 3.615 . . . . 0.0 105.693 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.02 -0.01 1.42 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.084 -1.635 . . . . 0.0 115.18 -177.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -126.02 18.53 7.8 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.781 2.033 . . . . 0.0 112.593 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -120.54 148.46 43.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.992 1.317 . . . . 0.0 112.186 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 42.9 t -82.52 131.43 35.21 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.277 1.431 . . . . 0.0 114.628 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.94 6.51 15.73 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' TYR . . . . . 0.422 ' CD1' " H2'" ' B' ' 34' ' ' ' A' . 39.1 t80 -117.31 -33.71 4.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.268 1.427 . . . . 0.0 114.191 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -131.36 -3.13 3.86 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 76.48 -6.3 2.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.028 2.531 . . . . 0.0 115.134 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.88 164.14 10.74 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.963 1.256 . . . . 0.0 112.479 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -115.63 157.19 24.55 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.66 1.184 . . . . 0.0 113.243 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 98.92 -3.9 58.89 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.884 1.707 . . . . 0.0 113.875 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -155.6 173.56 16.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.76 1.624 . . . . 0.0 112.39 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -113.93 161.07 18.1 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.895 2.078 . . . . 0.0 110.229 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.27 -39.66 45.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.786 1.234 . . . . 0.0 113.778 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -54.55 -22.14 12.28 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.614 1.566 . . . . 0.0 113.93 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.56 14.55 6.53 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.895 2.078 . . . . 0.0 112.671 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 35.2 t -57.11 135.32 80.61 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.837 1.255 . . . . 0.0 113.807 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -55.09 -28.24 59.51 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.019 2.479 . . . . 0.0 113.386 174.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -89.17 -8.99 52.58 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.583 1.553 . . . . 0.0 113.389 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -125.72 66.67 57.31 Favored Pre-proline 0 N--CA 1.478 0.972 0 C-N-CA 125.876 1.67 . . . . 0.0 110.894 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -76.07 158.52 37.97 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.632 2.888 . . . . 0.0 112.52 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -143.68 29.36 1.39 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.157 1.383 . . . . 0.0 112.712 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -75.29 -38.92 37.82 Favored Glycine 0 CA--C 1.543 1.837 0 CA-C-O 117.385 -1.786 . . . . 0.0 115.584 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -51.36 165.06 5.11 Favored 'Cis proline' 0 CA--C 1.541 0.873 0 CA-C-N 120.112 1.956 . . . . 0.0 113.904 -29.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -155.81 158.46 38.14 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.061 1.345 . . . . 0.0 111.897 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 178.79 -177.53 48.48 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 124.799 1.19 . . . . 0.0 113.396 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.31 171.72 15.53 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 124.181 3.254 . . . . 0.0 113.041 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -140.39 132.71 14.52 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 125.61 1.564 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.74 146.55 54.44 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.761 2.307 . . . . 0.0 110.826 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -155.07 156.63 36.2 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.121 0.968 . . . . 0.0 111.562 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 6.9 t -150.64 173.84 13.67 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.118 1.367 . . . . 0.0 111.652 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 60.5 m -141.3 162.33 35.75 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.02 1.728 . . . . 0.0 112.207 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 52.4 tp -146.83 148.45 31.88 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.457 1.503 . . . . 0.0 110.836 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.42 1.488 . . . . 0.0 111.208 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.702 0.287 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -140.71 -176.69 4.75 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 126.431 1.892 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.25 -15.83 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 121.059 -1.026 . . . . 0.0 113.291 175.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 t -88.28 -21.92 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.769 1.628 . . . . 0.0 111.929 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.7 m -63.25 160.65 15.29 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.946 1.298 . . . . 0.0 113.754 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.38 -175.3 36.56 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.011 1.291 . . . . 0.0 113.363 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.93 157.19 31.35 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.442 1.097 . . . . 0.0 113.164 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 tptp 66.08 151.6 0.06 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 128.7 2.8 . . . . 0.0 114.582 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -153.16 172.14 17.4 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.788 2.035 . . . . 0.0 110.997 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -148.45 154.92 40.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.272 1.429 . . . . 0.0 111.594 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -147.36 135.81 21.75 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.76 1.624 . . . . 0.0 110.422 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.54 164.04 31.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.576 1.55 . . . . 0.0 111.566 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.64 -174.59 47.13 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.472 1.034 . . . . 0.0 114.153 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.11 171.57 43.52 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.214 1.388 . . . . 0.0 113.213 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -154.61 150.73 28.02 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.783 1.233 . . . . 0.0 112.57 -178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -134.11 0.5 3.15 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.26 167.14 14.96 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.438 1.095 . . . . 0.0 111.624 177.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -65.13 -5.5 6.83 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 m -55.53 -12.89 1.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 127.396 2.279 . . . . 0.0 114.972 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -129.27 104.15 7.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.017 1.727 . . . . 0.0 110.277 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.34 152.81 39.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.431 1.892 . . . . 0.0 108.452 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -155.18 159.69 40.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.195 1.798 . . . . 0.0 109.091 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -63.58 -10.06 16.53 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.55 -1.344 . . . . 0.0 114.207 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.55 18.56 15.85 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.076 1.751 . . . . 0.0 112.447 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -130.08 155.34 46.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.493 1.117 . . . . 0.0 113.4 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.5 t -82.06 134.1 35.32 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.442 1.497 . . . . 0.0 112.825 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.65 -27.74 66.27 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 174.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -87.38 -69.0 0.71 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.8 p -89.93 -6.88 55.26 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm 72.52 4.62 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.293 2.237 . . . . 0.0 115.23 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -66.76 168.73 9.05 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.208 0.913 . . . . 0.0 112.086 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -108.65 163.49 13.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.39 1.476 . . . . 0.0 113.043 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.3 -3.57 85.87 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.313 1.435 . . . . 0.0 115.551 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -153.91 171.96 18.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.992 1.317 . . . . 0.0 112.194 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -116.54 163.54 15.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.86 2.064 . . . . 0.0 110.432 178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.97 -35.41 15.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.129 1.372 . . . . 0.0 113.006 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.04 -22.94 2.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.241 1.817 . . . . 0.0 114.038 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -131.42 15.51 5.0 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 127.023 2.129 . . . . 0.0 113.324 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.8 t -56.95 129.93 78.78 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -70.53 -16.98 34.38 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.774 2.316 . . . . 0.0 113.153 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -73.33 -22.58 60.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.37 1.068 . . . . 0.0 111.776 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -68.84 151.97 96.99 Favored Pre-proline 0 N--CA 1.476 0.863 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -74.97 3.63 5.43 Favored 'Trans proline' 0 CA--C 1.548 1.215 0 C-N-CA 124.252 3.302 . . . . 0.0 113.603 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -49.19 146.38 3.67 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.056 2.142 . . . . 0.0 113.353 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.24 -35.07 0.2 Allowed Glycine 0 CA--C 1.541 1.702 0 CA-C-O 117.21 -1.883 . . . . 0.0 116.191 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -57.97 -11.12 1.13 Allowed 'Cis proline' 0 CA--C 1.544 0.997 0 CA-C-N 120.614 2.207 . . . . 0.0 116.034 -27.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -146.69 165.56 29.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.144 1.378 . . . . 0.0 111.422 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -158.98 63.7 0.3 Allowed Glycine 0 CA--C 1.538 1.502 0 C-N-CA 124.646 1.117 . . . . 0.0 113.411 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.42 165.24 29.67 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.54 2.827 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.55 145.08 51.9 Favored Pre-proline 0 N--CA 1.479 1.018 0 C-N-CA 125.313 1.445 . . . . 0.0 111.379 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.74 111.42 3.13 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.657 2.904 . . . . 0.0 112.56 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -55.14 -19.46 7.73 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.852 1.661 . . . . 0.0 115.28 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -116.28 11.97 15.24 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.817 1.247 . . . . 0.0 112.841 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -142.4 -3.5 1.04 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 CA--C 1.54 0.58 0 C-N-CA 126.132 1.773 . . . . 0.0 110.441 178.638 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.115 0 C4'-C3'-C2' 99.501 -3.199 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 O4'-C1'-N19 111.346 3.146 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 111.777 3.577 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 O4'-C1'-N19 111.693 3.493 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 O4'-C1'-N19 111.694 3.494 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C3'-C2'-C1' 104.688 3.542 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.205 1 O4'-C1'-N19 113.165 4.965 . 0.451 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.663 0 C3'-C2'-C1' 104.471 3.301 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 C4'-C3'-C2' 98.836 -3.864 . 0.094 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.789 0 O5'-C5'-C4' 114.617 3.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.768 3.568 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 1 O4'-C1'-N19 112.543 4.343 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.17 0 C4'-C3'-C2' 99.028 -3.672 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 C4'-C3'-C2' 99.124 -3.576 . 0.109 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C5'-C4'-O4' 113.622 3.159 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . 0.563 " H3'" H5'' ' B' ' 18' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.554 3.38 3 P-O3'-C3' 127.872 6.81 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.563 H5'' " H3'" ' B' ' 16' ' ' ' G' . . . . . . . . 1 P--O3' 1.555 -4.338 2 P-O3'-C3' 138.804 15.92 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.96 1 P-O3'-C3' 124.584 4.07 . 0.159 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.55 3.039 0 O5'-C5'-C4' 115.713 3.938 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.574 0 P-O3'-C3' 123.534 3.195 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.113 1 C4'-C3'-C2' 98.568 -4.132 . 0.585 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 O4'-C1'-N19 111.209 3.009 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 C5'-C4'-C3' 111.66 -2.56 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 2 C4'-C3'-C2' 97.761 -4.939 . 0.692 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.695 1 O4'-C1'-N19 112.456 4.256 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . 0.422 ' P ' HH22 ' C' ' 118' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 O4'-C1'-N19 111.281 3.081 . 0.902 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 1 O4'-C1'-N19 112.777 4.577 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 1 O4'-C1'-N19 113.262 5.062 . 0.572 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C5'-C4'-O4' 112.808 2.577 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 110.741 2.541 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 1 O4'-C1'-N19 112.432 4.232 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.323 1 O4'-C1'-N19 112.794 4.594 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.515 0 P-O3'-C3' 123.193 2.91 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.601 1 C4'-C3'-O3' 122.597 4.614 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.969 1 P-O3'-C3' 126.479 5.649 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . 0.554 ' H21' ' HA ' ' C' ' 123' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C5'-C4'-O4' 113.164 2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.521 0 C4'-C3'-C2' 99.483 -3.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 C4'-C3'-C2' 98.914 -3.786 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.226 0 O4'-C1'-N19 112.045 3.845 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C4'-C3'-C2' 99.359 -3.341 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 O4'-C1'-N19 112.071 3.871 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C4'-C3'-C2' 98.718 -3.982 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.242 0 O4'-C1'-N19 110.749 2.549 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C5'-C4'-O4' 112.716 2.512 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 0 C3'-C2'-C1' 104.407 3.23 . 0.456 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 0 N19-C1'-C2' 117.573 2.608 . 0.389 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.568 3.368 . 0.279 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.486 0 O4'-C1'-N19 112.127 3.927 . 0.197 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.085 0 O4'-C1'-N19 111.904 3.704 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 0 C4'-C3'-C2' 99.789 -2.911 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.265 0 C4'-C3'-C2' 99.822 -2.878 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.388 0 C4'-C3'-C2' 99.915 -2.785 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 O4'-C1'-N19 112.044 3.844 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C3'-C2'-C1' 104.391 3.212 OUTLIER-DELTA 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.623 3 O4'-C1'-N19 114.638 6.438 . 0.0 OUTLIER '7D dist 1g' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C5'-C4'-C3' 111.212 -2.859 . 0.566 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.77 1 O4'-C1'-N19 112.909 4.709 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.426 2 O4'-C1'-N19 115.747 7.547 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 1 O4'-C1'-N19 112.203 4.003 . 0.01 5d . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.892 3 C5'-C4'-C3' 107.943 -5.038 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C4'-C3'-C2' 99.173 -3.527 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.99 0 O4'-C1'-N19 112.049 3.849 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.018 1 O4'-C1'-N19 112.28 4.08 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C5'-C4'-O4' 112.911 2.65 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.554 -4.42 1 P-O3'-C3' 132.846 10.955 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 O3'-P-O5' 97.77 -3.279 . 0.044 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.311 0 C4'-C3'-C2' 99.014 -3.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 C4'-C3'-C2' 99.23 -3.47 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 0 C4'-C3'-C2' 99.486 -3.214 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.975 0 O4'-C1'-N19 111.938 3.738 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 111.68 3.48 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 119.918 -0.087 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 19.0 m 70.63 152.06 0.1 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 127.058 2.143 . . . . 0.0 113.251 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 12.2 p -148.67 144.69 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.471 1.509 . . . . 0.0 110.537 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 35.9 m -134.94 6.92 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 125.306 1.442 . . . . 0.0 113.665 -177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 73.6 p -134.44 13.16 3.8 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.911 1.684 . . . . 0.0 114.322 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.42 174.44 44.99 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.671 1.129 . . . . 0.0 113.803 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -153.39 160.68 42.69 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.098 1.759 . . . . 0.0 110.461 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -141.85 160.75 39.55 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.368 1.467 . . . . 0.0 112.846 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -145.7 -179.07 6.43 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 126.494 1.918 . . . . 0.0 110.733 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -137.39 147.07 45.18 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.672 1.989 . . . . 0.0 109.344 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 33.6 ttm-85 -148.26 -24.03 0.34 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 60.21 -57.45 0.07 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 129.483 3.113 . . . . 0.0 117.952 175.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 151.12 -170.82 30.82 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-N 120.537 1.517 . . . . 0.0 116.209 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.09 -171.4 44.26 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 126.667 2.08 . . . . 0.0 113.043 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -154.52 134.94 13.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.188 1.395 . . . . 0.0 111.402 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -135.62 -0.96 2.56 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 46.95 34.17 2.59 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 126.564 1.946 . . . . 0.0 113.71 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' ARG . . . . . 0.422 HH22 ' P ' ' B' ' 27' ' ' ' C' . 99.7 mtt180 41.96 30.35 0.17 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 129.547 3.139 . . . . 0.0 115.075 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 24.2 m 45.06 33.11 0.99 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.744 1.618 . . . . 0.0 114.09 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 55.46 28.83 12.22 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.146 2.178 . . . . 0.0 115.266 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -74.06 141.29 45.73 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.266 1.427 . . . . 0.0 109.086 174.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -134.79 159.57 40.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.452 1.501 . . . . 0.0 109.686 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.554 ' HA ' ' H21' ' B' ' 37' ' ' ' G' . 1.3 mpt_? -63.36 8.69 0.07 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 128.488 2.715 . . . . 0.0 115.427 -178.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -123.18 -1.73 8.69 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.41 1.884 . . . . 0.0 113.933 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -107.49 140.26 40.74 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.755 -1.216 . . . . 0.0 111.094 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.28 121.27 18.16 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.046 -1.659 . . . . 0.0 111.403 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.4 -15.76 62.88 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.529 -0.732 . . . . 0.0 112.68 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -93.87 -36.7 12.1 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.28 -6.94 7.05 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.292 80.2 mttt 73.65 7.9 5.01 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.351 2.261 . . . . 0.0 115.664 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -70.24 175.38 4.65 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.585 0.754 . . . . 0.0 110.644 171.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 143.04 51.23 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.913 -1.117 . . . . 0.0 112.1 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 111.99 -2.63 27.12 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 126.446 1.974 . . . . 0.0 114.435 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -156.0 -179.67 8.36 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.982 1.313 . . . . 0.0 113.234 -177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -120.94 167.3 12.71 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 127.528 2.331 . . . . 0.0 109.945 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -47.72 -38.86 16.17 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.603 1.161 . . . . 0.0 113.007 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -52.57 -22.43 4.96 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.977 2.111 . . . . 0.0 114.524 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -129.97 8.41 5.22 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.562 1.945 . . . . 0.0 112.865 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 36.8 t -54.12 124.57 46.26 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.238 1.415 . . . . 0.0 113.505 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.28 -6.91 20.21 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 123.083 2.522 . . . . 0.0 113.034 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -110.37 7.51 22.93 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.661 1.984 . . . . 0.0 112.921 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -121.47 127.23 26.18 Favored Pre-proline 0 N--CA 1.48 1.045 0 C-N-CA 124.287 1.035 . . . . 0.0 110.587 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -76.04 -24.35 11.31 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.214 2.609 . . . . 0.0 115.718 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 47.08 40.24 9.36 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.874 1.67 . . . . 0.0 113.644 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 145' ' ' GLY . . . . . 0.518 ' H ' ' HA ' ' C' ' 146' ' ' PRO . . . -121.63 -43.79 0.41 Allowed Glycine 0 CA--C 1.541 1.702 0 C-N-CA 125.778 1.656 . . . . 0.0 115.374 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . 0.518 ' HA ' ' H ' ' C' ' 145' ' ' GLY . 61.6 Cg_endo -62.61 -18.67 4.61 Favored 'Cis proline' 0 CA--C 1.542 0.88 0 CA-C-N 120.006 1.903 . . . . 0.0 115.344 -28.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 48.96 36.44 8.4 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.181 1.792 . . . . 0.0 114.203 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -172.93 59.18 0.15 Allowed Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.182 1.372 . . . . 0.0 114.24 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -74.77 48.62 1.98 Allowed 'Trans proline' 0 CA--C 1.552 1.38 0 C-N-CA 125.222 3.948 . . . . 0.0 113.36 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 35.7 mtp-105 -61.66 150.65 81.02 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.777 1.631 . . . . 0.0 112.717 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -68.03 159.46 52.89 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.321 2.68 . . . . 0.0 112.872 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -69.52 -15.81 63.31 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.303 1.441 . . . . 0.0 114.115 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 51.9 p -139.02 164.21 30.36 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.073 1.749 . . . . 0.0 111.862 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 13.7 t -152.22 173.87 14.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.11 1.364 . . . . 0.0 111.675 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 25.9 tp -130.53 -0.2 4.43 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.688 1.995 . . . . 0.0 112.475 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 125.439 1.495 . . . . 0.0 111.393 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.349 0.119 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.3 p -128.32 -4.26 5.5 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.104 1.361 . . . . 0.0 114.576 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 t 58.28 24.34 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 126.173 1.789 . . . . 0.0 113.714 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.95 171.0 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.172 1.789 . . . . 0.0 111.413 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -134.82 26.18 3.65 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.231 1.412 . . . . 0.0 112.378 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.52 -176.19 46.94 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.415 1.483 . . . . 0.0 112.821 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -117.47 6.33 12.57 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.191 1.396 . . . . 0.0 113.064 -178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -139.76 162.37 35.29 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.974 2.109 . . . . 0.0 110.518 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -131.35 10.41 4.85 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 54.81 25.28 6.47 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.981 1.713 . . . . 0.0 114.853 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -138.8 171.5 14.24 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 127.124 2.169 . . . . 0.0 110.729 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -134.92 173.82 11.29 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.881 1.672 . . . . 0.0 111.92 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.05 -178.29 34.9 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.44 1.019 . . . . 0.0 113.794 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.48 -26.81 0.27 Allowed Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.448 1.499 . . . . 0.0 113.334 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 51.47 28.04 4.23 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 127.111 2.164 . . . . 0.0 114.91 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -140.89 146.02 36.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.013 1.725 . . . . 0.0 112.027 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -130.94 7.17 4.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.756 2.423 . . . . 0.0 112.566 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -53.1 151.1 5.17 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.071 1.748 . . . . 0.0 112.748 179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -149.54 -50.3 0.14 Allowed 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -155.33 137.35 14.6 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.726 1.148 . . . . 0.0 112.928 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.66 -174.69 5.0 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.49 1.916 . . . . 0.0 111.243 176.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -146.87 166.93 25.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.668 1.987 . . . . 0.0 108.073 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.5 mmm-85 -66.48 0.28 2.3 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 120.393 -1.442 . . . . 0.0 114.014 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -120.62 13.58 11.69 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 127.279 2.232 . . . . 0.0 112.244 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.21 149.97 42.92 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.889 1.276 . . . . 0.0 112.844 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -73.15 128.62 36.01 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.336 1.454 . . . . 0.0 112.008 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.82 -13.86 62.48 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -106.43 -33.99 7.55 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.93 -2.72 9.71 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp 72.67 -5.99 1.73 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.722 2.409 . . . . 0.0 114.55 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -62.62 163.12 9.49 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.664 1.12 . . . . 0.0 112.398 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 156.73 19.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.104 1.361 . . . . 0.0 113.5 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.01 -4.41 65.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.334 1.445 . . . . 0.0 114.799 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.92 170.8 20.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.295 1.438 . . . . 0.0 111.994 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -113.23 163.48 14.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.487 1.915 . . . . 0.0 109.792 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.36 -34.28 15.6 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.29 1.218 . . . . 0.0 114.29 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -53.94 -24.26 15.81 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.024 1.73 . . . . 0.0 114.147 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -125.56 16.01 8.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.602 1.961 . . . . 0.0 112.705 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.7 t -55.64 125.55 61.24 Favored Pre-proline 0 CA--C 1.554 1.121 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -55.89 -30.51 77.55 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 123.746 2.964 . . . . 0.0 115.17 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -80.82 -13.61 58.8 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -82.36 153.1 68.44 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 123.803 0.841 . . . . 0.0 113.041 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -77.58 31.89 0.43 Allowed 'Trans proline' 0 CA--C 1.555 1.543 0 C-N-CA 124.953 3.769 . . . . 0.0 112.838 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 64.34 175.62 0.19 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 128.13 2.572 . . . . 0.0 113.576 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.83 -173.26 46.08 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.018 1.294 . . . . 0.0 113.244 -177.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -89.15 -16.71 21.69 Favored 'Cis proline' 0 CA--C 1.541 0.853 0 CA-C-N 118.323 1.062 . . . . 0.0 113.848 28.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -139.58 174.51 10.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.513 1.925 . . . . 0.0 111.107 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.6 -68.65 0.01 OUTLIER Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.006 1.289 . . . . 0.0 112.291 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.69 163.21 39.06 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.937 2.425 . . . . 0.0 111.079 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -137.03 148.35 62.44 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 124.551 1.14 . . . . 0.0 112.538 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.21 138.73 36.64 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.909 3.073 . . . . 0.0 113.199 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -84.27 -1.17 54.81 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.157 0.983 . . . . 0.0 113.328 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.0 m -141.28 153.59 45.27 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.232 2.213 . . . . 0.0 108.82 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 m -60.53 -2.3 0.49 Allowed 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 116.96 2.207 . . . . 0.0 116.96 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 125.609 1.564 . . . . 0.0 112.275 179.12 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C4'-C3'-C2' 99.695 -3.005 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C4'-C3'-C2' 99.85 -2.85 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 O4'-C1'-N19 111.724 3.524 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 1 O4'-C1'-N19 112.476 4.276 . 0.753 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 O4'-C1'-N19 112.234 4.034 . 0.626 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.5 0 O4'-C1'-N19 111.421 3.221 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.451 0 O4'-C1'-N19 111.667 3.467 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.534 0 C5'-C4'-C3' 110.249 -3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.867 1 O4'-C1'-N19 112.409 4.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.454 1 C5'-C4'-C3' 109.242 -4.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 C4'-C3'-C2' 99.578 -3.122 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.554 ' H41' ' H22' ' B' ' 46' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C1'-N19 111.335 3.135 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C3'-C2'-C1' 104.113 2.903 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.58 1 C4'-C3'-C2' 98.562 -4.138 . 0.018 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . 0.456 ' C2 ' " H1'" ' B' ' 59' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.544 2.646 0 O4'-C1'-N19 112.119 3.919 . 0.503 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.244 0 C5'-C4'-C3' 109.53 -3.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.42 0 C3'-C2'-C1' 104.75 3.611 . 0.419 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.698 1 C3'-C2'-C1' 106.014 5.015 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.434 0 O4'-C1'-N19 111.35 3.15 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 99.687 -3.013 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 2 C4'-C3'-C2' 97.346 -5.354 . 0.454 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.333 0 O4'-C1'-N19 111.928 3.728 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.762 0 C4'-C3'-C2' 99.414 -3.286 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 1 C4'-C3'-C2' 97.815 -4.885 . 0.627 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 2 O4'-C1'-N19 112.466 4.266 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 111.33 3.13 . 0.884 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C1'-N19 111.453 3.253 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.554 -3.146 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C4'-C3'-C2' 99.255 -3.445 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 O4'-C1'-N19 111.62 3.42 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 1 O4'-C1'-N19 112.44 4.24 . 0.74 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 1 C3'-C2'-C1' 105.223 4.137 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . 0.489 " H2'" ' CE1' ' C' ' 128' ' ' TYR . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-O3' 120.324 3.74 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.252 1 P-O3'-C3' 127.348 6.373 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-O3' 120.147 3.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.553 2.618 0 O4'-C1'-N19 112.118 3.918 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.622 3 O4'-C1'-N19 112.635 4.435 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 O4'-C1'-N19 111.177 2.977 . 0.19 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 O4'-C1'-N19 111.165 2.965 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 1 C4'-C3'-C2' 98.337 -4.363 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.474 0 O4'-C1'-N19 111.195 2.995 . 0.575 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C5'-C4'-O4' 113.118 2.799 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 C5'-C4'-O4' 113.105 2.789 . 0.692 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.018 0 C4'-C3'-C2' 99.697 -3.003 . 0.326 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . 0.554 ' H22' ' H41' ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O5'-C5'-C4' 115.061 3.472 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 C4'-C3'-C2' 98.844 -3.856 . 0.222 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 O4'-C1'-N19 111.723 3.523 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.377 0 O4'-C1'-N19 112.039 3.839 . 0.079 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.013 0 O4'-C1'-N19 112.018 3.818 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.235 0 C4'-C3'-C2' 99.831 -2.869 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C4'-C3'-C2' 99.35 -3.35 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C5'-C4'-O4' 113.894 3.353 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.893 3.693 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 1 C4'-C3'-C2' 98.641 -4.059 . 0.393 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.281 2 P-O3'-C3' 125.325 4.688 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 C4'-C3'-C2' 99.693 -3.007 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.801 1 O4'-C1'-N19 114.882 6.682 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . 0.456 " H1'" ' C2 ' ' B' ' 15' ' ' ' G' . . . . . . . . 0 P--O5' 1.621 2.835 0 C5'-C4'-O4' 113.808 3.292 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O3'-P-O5' 99.659 -2.285 . 0.357 2g . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.557 0 C5'-C4'-O4' 114.178 3.555 . 0.693 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 111.685 3.485 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 0 O4'-C1'-N19 112.099 3.899 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 C4'-C3'-C2' 99.707 -2.993 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.02 0 C4'-C3'-C2' 99.705 -2.995 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.014 0 O4'-C1'-N19 111.696 3.496 . 0.465 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 O4'-C1'-N19 111.708 3.508 OUTLIER-EPSILON 0.142 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.55 -4.736 1 P-O3'-C3' 131.433 9.777 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.259 -3.441 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C4'-C3'-C2' 99.63 -3.07 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.998 0 O4'-C1'-N19 111.606 3.406 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 O4'-C1'-N19 111.605 3.405 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.564 -0.161 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -142.04 144.45 33.61 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.064 1.346 . . . . 0.0 110.338 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.27 168.67 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.774 1.63 . . . . 0.0 111.585 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 11.7 p -56.32 147.47 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.094 1.358 . . . . 0.0 112.526 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 95.2 p -152.55 168.31 25.99 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.744 1.218 . . . . 0.0 112.701 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.8 -155.73 23.56 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 125.099 1.333 . . . . 0.0 112.497 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -142.46 155.66 45.1 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.288 1.435 . . . . 0.0 111.186 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -51.41 140.32 17.76 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.531 1.532 . . . . 0.0 112.688 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -146.32 148.52 32.49 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.987 1.715 . . . . 0.0 109.847 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -149.12 166.8 27.7 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.003 1.321 . . . . 0.0 112.591 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -151.24 -176.21 5.47 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.869 1.668 . . . . 0.0 111.998 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -129.98 164.72 23.65 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.508 1.523 . . . . 0.0 111.374 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 167.06 171.95 33.74 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.24 1.4 . . . . 0.0 113.16 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.76 177.2 36.38 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.672 1.13 . . . . 0.0 113.413 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -150.02 147.6 28.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.676 1.19 . . . . 0.0 110.964 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -76.25 2.7 12.52 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -53.21 -25.64 14.73 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -72.78 87.4 1.28 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.954 1.701 . . . . 0.0 111.29 177.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 39.5 m 45.71 38.27 4.04 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.61 1.564 . . . . 0.0 115.078 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 58.35 29.2 17.81 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.282 1.833 . . . . 0.0 115.063 -178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.55 170.95 9.67 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.088 0.955 . . . . 0.0 110.806 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -133.94 146.96 50.98 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.349 1.46 . . . . 0.0 107.788 173.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -75.09 17.36 0.24 Allowed 'General case' 0 N--CA 1.484 1.26 0 O-C-N 120.787 -1.196 . . . . 0.0 113.887 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -131.48 9.07 4.66 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 128.457 2.703 . . . . 0.0 111.269 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -117.3 141.82 47.84 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.164 1.385 . . . . 0.0 110.8 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.4 t -73.61 127.62 33.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.838 1.255 . . . . 0.0 112.843 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.75 8.47 14.53 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' TYR . . . . . 0.489 ' CE1' " H2'" ' B' ' 34' ' ' ' A' . 41.5 t80 -114.31 -35.03 5.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 114.021 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.38 -5.92 5.35 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.844 1.794 . . . . 0.0 115.844 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 80.7 mttt 78.38 -5.59 2.04 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.401 2.681 . . . . 0.0 115.801 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -65.55 159.86 23.67 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.03 1.286 . . . . 0.0 112.37 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -114.42 146.54 40.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.566 1.146 . . . . 0.0 112.034 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 112.9 -3.21 25.78 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 126.672 2.082 . . . . 0.0 113.622 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -157.43 -179.89 8.61 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.067 1.747 . . . . 0.0 111.998 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -120.29 166.8 13.01 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.077 2.151 . . . . 0.0 109.51 176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.1 21.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.482 1.113 . . . . 0.0 112.413 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -49.11 -29.09 4.82 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.798 2.439 . . . . 0.0 113.996 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -129.35 18.03 5.92 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.195 2.198 . . . . 0.0 112.812 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 40.1 t -57.65 128.03 79.17 Favored Pre-proline 0 CA--C 1.552 1.03 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.56 -13.14 32.41 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.72 2.28 . . . . 0.0 112.552 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -87.1 -14.05 42.47 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.029 1.732 . . . . 0.0 112.733 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -69.36 159.19 84.47 Favored Pre-proline 0 N--CA 1.48 1.073 0 C-N-CA 123.793 0.837 . . . . 0.0 110.946 175.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.25 -24.19 3.57 Favored 'Trans proline' 0 CA--C 1.545 1.042 1 C-N-CA 125.322 4.014 . . . . 0.0 116.839 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 53.14 35.85 20.85 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.059 2.143 . . . . 0.0 115.181 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -175.15 168.35 40.85 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 123.951 0.786 . . . . 0.0 114.649 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -78.72 150.17 86.51 Favored 'Cis proline' 0 CA--C 1.541 0.829 0 CA-C-N 117.763 0.781 . . . . 0.0 112.323 26.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -141.83 34.32 1.59 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.643 1.177 . . . . 0.0 113.538 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 178.25 -179.72 48.46 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.002 1.287 . . . . 0.0 113.8 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.07 177.46 7.76 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.043 3.162 . . . . 0.0 112.853 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -52.71 152.7 6.48 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 125.724 1.609 . . . . 0.0 112.074 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -60.11 -21.47 65.85 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.098 2.532 . . . . 0.0 114.776 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -76.4 -5.63 48.12 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.29 1.436 . . . . 0.0 113.106 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 54.5 m -138.25 168.36 19.9 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.076 1.75 . . . . 0.0 111.26 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 12.4 t -146.98 159.69 43.25 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.133 1.373 . . . . 0.0 111.147 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 58.6 tp -151.05 141.48 22.47 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.512 1.525 . . . . 0.0 110.786 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 126.943 2.097 . . . . 0.0 113.089 179.501 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.601 0.239 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 p -70.09 162.68 27.77 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.72 1.208 . . . . 0.0 112.715 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.3 p -150.44 151.46 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.304 1.442 . . . . 0.0 110.836 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.54 164.78 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.957 1.703 . . . . 0.0 111.367 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -131.53 0.27 4.01 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.181 1.393 . . . . 0.0 114.518 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 175.85 177.03 44.56 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.038 1.304 . . . . 0.0 113.187 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -143.74 163.43 33.32 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.018 1.727 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -139.61 158.39 44.19 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.781 1.632 . . . . 0.0 111.633 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -134.98 13.47 3.61 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.689 1.596 . . . . 0.0 112.744 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -149.65 161.58 41.91 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.623 1.569 . . . . 0.0 111.46 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -151.69 179.35 8.48 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.636 1.574 . . . . 0.0 112.942 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -135.22 149.59 49.92 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.441 1.496 . . . . 0.0 111.133 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.8 157.23 10.83 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.787 1.661 . . . . 0.0 112.734 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.78 17.22 0.03 OUTLIER Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.977 1.551 . . . . 0.0 116.977 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -137.78 179.88 6.16 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.959 1.704 . . . . 0.0 111.431 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -125.07 155.63 39.51 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.243 1.817 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -69.74 82.42 0.44 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.821 1.648 . . . . 0.0 111.116 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -133.08 171.78 13.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 127.407 2.283 . . . . 0.0 111.64 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 m -137.27 165.98 24.86 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.282 1.833 . . . . 0.0 110.77 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -56.29 129.62 41.13 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.693 0.797 . . . . 0.0 111.957 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 mt -146.53 162.48 38.24 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.848 1.659 . . . . 0.0 111.581 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -143.21 158.68 43.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.258 2.623 . . . . 0.0 107.078 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -69.1 5.62 1.15 Allowed 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -126.6 18.47 7.43 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.808 2.043 . . . . 0.0 112.183 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -121.78 139.59 53.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.838 1.255 . . . . 0.0 112.073 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.48 126.82 30.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.648 1.579 . . . . 0.0 114.369 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.84 -15.98 63.19 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.053 -1.03 . . . . 0.0 113.439 174.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -93.68 -62.18 1.41 Allowed 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.37 -10.21 24.11 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.273 12.0 mptt 72.51 6.82 5.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.832 2.453 . . . . 0.0 115.236 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -70.11 165.22 22.45 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.516 1.053 . . . . 0.0 111.266 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -103.06 162.32 13.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.953 1.301 . . . . 0.0 113.89 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.42 0.21 73.57 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 126.116 1.817 . . . . 0.0 115.106 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -158.97 177.49 11.09 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.242 1.417 . . . . 0.0 112.514 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -114.85 166.14 12.09 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.997 2.119 . . . . 0.0 109.372 175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.84 39.24 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.5 0.72 . . . . 0.0 112.867 177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -51.28 -25.94 6.56 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.982 2.113 . . . . 0.0 114.267 177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -128.24 18.15 6.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.838 1.655 . . . . 0.0 113.322 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.88 124.96 46.09 Favored Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -178.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.11 -23.29 68.36 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 123.522 2.814 . . . . 0.0 114.331 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -95.28 17.09 15.03 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.349 1.86 . . . . 0.0 112.844 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -135.4 142.83 42.86 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 126.831 2.053 . . . . 0.0 110.061 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -50.72 140.12 38.06 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.371 2.714 . . . . 0.0 113.839 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -142.93 161.67 37.51 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 126.053 1.741 . . . . 0.0 111.903 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.74 -41.77 96.06 Favored Glycine 0 CA--C 1.543 1.806 0 CA-C-O 117.877 -1.513 . . . . 0.0 115.95 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -59.57 -21.36 2.7 Favored 'Cis proline' 0 CA--C 1.543 0.954 0 CA-C-N 119.868 1.834 . . . . 0.0 114.629 -29.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -59.96 152.78 22.83 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.492 1.517 . . . . 0.0 113.143 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.59 -176.95 43.97 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 124.637 1.113 . . . . 0.0 113.713 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.0 170.66 17.52 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.001 3.134 . . . . 0.0 112.768 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.48 153.44 62.26 Favored Pre-proline 0 N--CA 1.479 0.978 0 C-N-CA 125.589 1.555 . . . . 0.0 112.425 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.87 162.74 41.57 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.393 2.728 . . . . 0.0 113.037 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -146.42 -24.45 0.43 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.36 1.064 . . . . 0.0 113.859 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m 59.28 13.19 2.95 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 126.073 1.749 . . . . 0.0 114.541 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 t -161.19 159.47 28.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.343 1.857 . . . . 0.0 110.417 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 125.288 1.435 . . . . 0.0 110.649 179.272 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 C4'-C3'-C2' 99.582 -3.118 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.764 -2.936 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.431 3.231 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 O4'-C1'-N19 112.07 3.87 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.25 1 O4'-C1'-N19 113.189 4.989 . 0.565 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.614 0 C3'-C2'-C1' 104.899 3.776 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 O4'-C1'-N19 112.391 4.191 . 0.442 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 C5'-C4'-C3' 109.973 -3.685 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.671 2 O4'-C1'-N19 113.453 5.253 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5q' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.633 1 O4'-C1'-N19 112.966 4.766 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 1 O4'-C1'-N19 112.609 4.409 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 1 O4'-C1'-N19 112.368 4.168 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.319 0 O4'-C1'-N19 110.588 2.388 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 C4'-C3'-C2' 99.119 -3.581 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.66 0 O4'-C1'-N19 111.593 3.393 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.814 0 O4'-C1'-N19 111.079 2.879 OUTLIER-DELTA 0.0 OUTLIER '7D dist 3d' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.426 " H2'" ' C2 ' ' B' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C3'-C2'-C1' 104.558 3.397 . 0.0 OUTLIER '7D dist 9a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.724 0 C3'-C2'-C1' 104.972 3.858 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.378 0 N19-C1'-C2' 118.12 2.95 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.431 0 C4'-C3'-C2' 99.129 -3.571 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.05 2 C4'-C3'-C2' 97.692 -5.008 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.357 1 O4'-C1'-N19 112.449 4.249 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.812 0 O4'-C1'-N19 110.914 2.714 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.844 2 O4'-C1'-N19 114.01 5.81 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.587 2 O4'-C1'-N19 112.423 4.223 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 O4'-C1'-N19 111.659 3.459 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 O4'-C1'-N19 111.9 3.7 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.242 -3.458 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C5'-C4'-O4' 112.18 2.128 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 0 C3'-C2'-C1' 103.818 2.575 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 C4'-C3'-C2' 99.657 -3.043 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 O4'-C1'-N19 112.096 3.896 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.693 0 O5'-C5'-C4' 115.538 3.813 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 1 C5'-C4'-O4' 115.525 4.518 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.464 1 C4'-C3'-O3' 121.285 4.11 OUTLIER-EPSILON 0.568 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 P-O3'-C3' 125.307 4.673 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 C4'-C3'-C2' 98.969 -3.731 . 0.0 OUTLIER '7D dist 5j' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . 0.414 " H2'" ' C6 ' ' B' ' 40' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.964 -2.736 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . 0.414 ' C6 ' " H2'" ' B' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C4'-C3'-C2' 99.981 -2.719 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.968 1 C4'-C3'-C2' 97.917 -4.783 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.396 0 C5'-C4'-O4' 113.606 3.147 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.49 0 C5'-C4'-O4' 113.028 2.734 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 2 C4'-C3'-C2' 98.441 -4.259 . 0.368 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.492 -3.208 . 0.179 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.303 0 O4'-C4'-C3' 109.233 2.666 . 0.455 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 C3'-C2'-C1' 104.276 3.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.949 1 O4'-C1'-N19 112.492 4.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 0 P-O3'-C3' 124.471 3.976 . 0.01 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 2 C4'-C3'-C2' 98.444 -4.256 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.938 0 O4'-C1'-N19 111.864 3.664 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 0 C4'-C3'-C2' 99.941 -2.759 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 C5'-C4'-O4' 113.437 3.027 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O4'-C1'-N19 111.602 3.402 . 0.634 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 110.236 2.036 . 0.463 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.505 1 O4'-C1'-N19 112.738 4.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . 0.426 ' C2 ' " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C5'-C4'-C3' 111.99 -2.34 . 0.387 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.548 2.948 1 O4'-C1'-N19 112.69 4.49 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.294 0 C5'-C4'-O4' 113.454 3.039 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.297 0 N19-C1'-C2' 116.897 2.185 . 0.01 2g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.849 1 O5'-C5'-C4' 117.995 5.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 110.973 2.773 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 C4'-C3'-C2' 99.915 -2.785 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 100.178 -2.522 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.041 0 O4'-C1'-N19 111.777 3.577 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 2 O4'-C1'-N19 112.635 4.435 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 C5'-C4'-C3' 110.039 -3.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.011 0 C4'-C3'-C2' 99.283 -3.417 . 0.159 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.006 0 C4'-C3'-C2' 99.781 -2.919 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C4'-C3'-C2' 99.675 -3.025 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 111.635 3.435 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.265 0 O4'-C1'-N19 111.728 3.528 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 10.2 t -144.9 -24.08 0.5 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 10.9 p -150.52 153.12 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.569 1.547 . . . . 0.0 110.498 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 24.4 m -141.57 160.8 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 125.696 1.599 . . . . 0.0 111.715 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -156.15 174.25 15.64 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.609 1.564 . . . . 0.0 111.236 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 163.37 -21.26 0.16 Allowed Glycine 0 CA--C 1.537 1.457 0 N-CA-C 115.725 1.05 . . . . 0.0 115.725 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -60.35 131.9 52.23 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.64 1.22 . . . . 0.0 112.109 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -155.28 159.62 40.16 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.922 1.689 . . . . 0.0 111.925 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -138.13 164.25 29.61 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.67 1.588 . . . . 0.0 111.791 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -136.81 156.47 48.46 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.35 1.46 . . . . 0.0 111.109 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -82.09 -20.01 39.0 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -159.15 171.18 20.4 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.92 2.088 . . . . 0.0 109.698 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.86 164.12 26.83 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.592 1.568 . . . . 0.0 111.788 175.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.08 177.62 40.49 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.466 1.031 . . . . 0.0 113.571 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -143.54 162.48 35.74 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.895 1.678 . . . . 0.0 111.185 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -112.46 -178.98 3.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.913 1.685 . . . . 0.0 111.81 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -49.35 153.9 0.97 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 45.25 36.93 2.43 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 127.208 2.203 . . . . 0.0 113.349 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 26.7 m 48.43 26.71 1.21 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.691 1.997 . . . . 0.0 113.648 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 50.56 30.71 4.97 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.483 1.913 . . . . 0.0 113.23 -175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 52.8 mt 38.49 88.07 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.27 2.628 . . . . 0.0 114.101 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -66.3 132.38 48.23 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 106.276 -1.749 . . . . 0.0 106.276 172.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -63.17 -3.38 1.78 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 116.152 1.908 . . . . 0.0 116.152 -171.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -94.65 -11.82 28.54 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.981 1.312 . . . . 0.0 113.06 173.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -87.7 172.36 9.75 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.142 1.777 . . . . 0.0 114.238 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.76 126.82 52.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.244 1.818 . . . . 0.0 110.499 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.12 -2.67 19.43 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -109.78 -40.05 4.92 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.91 1.232 . . . . 0.0 114.305 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.9 -4.28 9.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 84.0 mttt 72.97 2.01 4.23 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.945 2.098 . . . . 0.0 115.129 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -66.29 176.68 1.7 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.362 0.983 . . . . 0.0 111.091 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -124.65 157.74 34.81 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.991 1.317 . . . . 0.0 113.001 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 95.41 -4.42 66.86 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.752 1.644 . . . . 0.0 114.628 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -154.92 165.1 37.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.165 1.786 . . . . 0.0 111.002 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -106.3 169.08 8.72 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.701 1.6 . . . . 0.0 110.751 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.61 -41.0 54.36 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.026 0.93 . . . . 0.0 112.926 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -58.0 -13.89 5.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.197 1.799 . . . . 0.0 114.623 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.41 11.69 4.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.929 2.092 . . . . 0.0 112.173 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 33.7 t -56.94 124.06 62.78 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 124.612 1.165 . . . . 0.0 112.758 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -70.73 -6.6 19.44 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.214 2.609 . . . . 0.0 113.289 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -113.32 -5.89 13.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.815 1.646 . . . . 0.0 113.206 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -83.87 134.65 43.8 Favored Pre-proline 0 N--CA 1.476 0.865 0 CA-C-N 119.405 1.002 . . . . 0.0 111.914 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -75.5 172.28 16.62 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 123.62 2.88 . . . . 0.0 112.957 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -58.61 159.97 6.02 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.379 1.872 . . . . 0.0 113.492 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.7 -165.01 2.73 Favored Glycine 0 CA--C 1.546 1.981 0 C-N-CA 125.959 1.743 . . . . 0.0 115.084 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -58.2 -25.41 1.89 Allowed 'Cis proline' 0 C--N 1.352 0.733 0 N-CA-C 115.467 1.295 . . . . 0.0 115.467 -23.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -135.84 152.15 50.77 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.317 2.247 . . . . 0.0 109.339 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.99 52.21 0.36 Allowed Glycine 0 CA--C 1.537 1.468 0 N-CA-C 116.586 1.394 . . . . 0.0 116.586 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.91 174.13 12.86 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 123.394 2.73 . . . . 0.0 112.409 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -120.66 73.67 23.56 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 126.767 2.027 . . . . 0.0 111.458 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -81.61 34.66 0.56 Allowed 'Trans proline' 0 CA--C 1.551 1.355 1 C-N-CA 125.343 4.029 . . . . 0.0 114.181 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -59.34 152.44 21.17 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.8 -1.187 . . . . 0.0 113.903 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 43.5 p -136.45 -5.06 2.04 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 21.7 m -135.86 23.6 3.34 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.88 1.272 . . . . 0.0 113.669 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 95.2 mt -136.9 160.47 38.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.687 1.595 . . . . 0.0 111.869 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--O 1.241 0.638 0 C-N-CA 125.056 1.342 . . . . 0.0 112.423 178.754 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.634 0.254 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.1 p -140.9 168.17 20.43 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.816 1.647 . . . . 0.0 111.712 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.7 p -148.37 150.4 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.407 1.483 . . . . 0.0 110.57 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -141.45 163.83 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 125.778 1.631 . . . . 0.0 111.848 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -153.35 167.13 30.44 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.532 1.533 . . . . 0.0 111.109 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.45 177.16 48.17 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.637 1.113 . . . . 0.0 113.878 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -133.85 29.43 3.8 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.625 1.57 . . . . 0.0 112.353 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -134.17 17.31 3.76 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.489 1.515 . . . . 0.0 113.74 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -137.28 10.45 3.0 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.076 1.75 . . . . 0.0 112.706 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -65.16 156.59 31.22 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.786 1.634 . . . . 0.0 113.347 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -156.35 167.54 30.12 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.656 1.582 . . . . 0.0 112.628 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -156.54 166.94 31.95 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.951 1.7 . . . . 0.0 111.509 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.52 166.07 29.14 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.294 0.95 . . . . 0.0 114.471 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.21 179.45 48.9 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.654 1.121 . . . . 0.0 114.601 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -151.65 -30.71 0.16 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.944 1.298 . . . . 0.0 112.993 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -144.95 178.28 8.14 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.716 2.006 . . . . 0.0 111.399 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -44.66 146.3 0.77 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 126.138 1.775 . . . . 0.0 114.636 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 49.12 30.51 3.0 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 126.508 1.923 . . . . 0.0 112.787 -175.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.0 m 48.03 30.32 2.02 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 126.846 2.058 . . . . 0.0 114.1 -176.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 53.26 35.68 20.72 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.06 1.744 . . . . 0.0 113.947 -177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt -57.2 152.44 13.72 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.811 1.245 . . . . 0.0 113.625 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -154.45 167.35 30.33 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.622 1.969 . . . . 0.0 108.786 174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -65.91 11.04 0.08 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.903 2.481 . . . . 0.0 114.973 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -128.76 13.07 6.36 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.646 1.979 . . . . 0.0 113.636 175.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -124.87 164.96 18.93 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.598 1.159 . . . . 0.0 113.644 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -98.46 131.5 44.67 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.503 1.521 . . . . 0.0 111.579 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.59 -10.33 59.44 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -113.27 -32.58 6.23 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.372 2.36 . . . . 0.0 117.372 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.22 -2.66 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HE2' ' HA ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER 76.43 -3.49 2.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 128.613 2.765 . . . . 0.0 115.425 178.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.25 173.14 2.11 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.31 163.5 18.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 127.247 2.219 . . . . 0.0 111.826 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.94 -6.68 65.58 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.647 1.118 . . . . 0.0 114.894 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -149.59 169.34 21.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.947 1.699 . . . . 0.0 110.782 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -120.44 166.66 13.27 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.776 1.63 . . . . 0.0 110.201 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . . . -45.81 -37.64 6.34 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.505 1.122 . . . . 0.0 113.919 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -56.36 -22.55 31.84 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.907 1.683 . . . . 0.0 115.074 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.49 10.78 9.19 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.615 1.966 . . . . 0.0 112.166 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 36' ' ' ALA . 50.0 t -60.74 133.19 91.77 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 124.712 1.205 . . . . 0.0 113.411 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -66.86 -16.83 51.03 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 122.369 2.046 . . . . 0.0 112.352 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -85.56 -14.75 44.86 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.563 1.545 . . . . 0.0 113.303 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -98.05 151.3 37.48 Favored Pre-proline 0 N--CA 1.481 1.11 0 CA-C-N 119.693 1.133 . . . . 0.0 113.949 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -72.69 174.24 12.08 Favored 'Trans proline' 0 CA--C 1.547 1.173 0 C-N-CA 124.143 3.229 . . . . 0.0 111.812 175.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -146.73 151.63 37.5 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.049 1.34 . . . . 0.0 112.022 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.63 175.8 38.17 Favored Glycine 0 CA--C 1.544 1.877 0 C-N-CA 126.34 1.924 . . . . 0.0 112.218 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.36 169.66 47.38 Favored 'Cis proline' 0 CA--C 1.538 0.71 0 CA-C-N 118.797 1.299 . . . . 0.0 113.67 28.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -122.94 45.54 2.38 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.082 1.753 . . . . 0.0 112.535 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.34 164.85 36.36 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.692 2.092 . . . . 0.0 111.384 177.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.99 171.76 16.02 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.47 2.78 . . . . 0.0 112.875 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -128.96 69.53 80.86 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 125.477 1.511 . . . . 0.0 110.196 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.6 140.47 36.41 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 124.239 3.293 . . . . 0.0 115.55 -176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -146.21 170.63 16.34 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.063 2.145 . . . . 0.0 110.289 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 p -136.84 156.11 48.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.2 1.4 . . . . 0.0 112.148 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.2 p -140.81 3.75 1.86 Allowed 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 125.602 1.561 . . . . 0.0 111.269 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.134 0 C4'-C3'-C2' 99.535 -3.165 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C4'-C3'-C2' 99.464 -3.236 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.175 0 O4'-C1'-N19 111.921 3.721 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.705 3.505 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 O4'-C1'-N19 111.31 3.11 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 O4'-C1'-N19 111.462 3.262 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.278 0 O4'-C1'-N19 112.098 3.898 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.827 2 O5'-C5'-C4' 117.07 4.907 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.332 1 O4'-C1'-N19 113.323 5.123 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.002 1 C5'-C4'-C3' 109.224 -4.184 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 O4'-C1'-N19 111.893 3.693 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 112.666 4.466 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.347 0 O4'-C1'-N19 111.667 3.467 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C4'-C3'-C2' 99.43 -3.27 . 0.076 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.398 1 C3'-C2'-C1' 105.169 4.077 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 1 O4'-C1'-N19 115.579 7.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.608 0 C5'-C4'-C3' 110.433 -3.378 . 0.406 5n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 1 C3'-C2'-C1' 105.516 4.462 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 3.019 0 C3'-C2'-C1' 104.762 3.624 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.274 0 O5'-C5'-C4' 115.598 3.856 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.011 2 C4'-C3'-C2' 97.282 -5.418 . 0.345 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.348 1 O4'-C1'-N19 112.772 4.572 . 0.52 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 C5'-C4'-C3' 111.72 -2.52 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 99.134 -3.566 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 1 O4'-C1'-N19 112.459 4.259 . 0.217 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 O4'-C1'-N19 111.923 3.723 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 O4'-C1'-N19 111.299 3.099 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.616 -3.084 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 100.366 -2.334 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 0 C4'-C3'-C2' 99.436 -3.264 . 0.91 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 O4'-C1'-N19 111.632 3.432 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.587 0 O4'-C1'-N19 111.944 3.744 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.631 0 C5'-C4'-O4' 114.144 3.531 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.833 1 O4'-C1'-N19 113.132 4.932 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.255 2 P-O3'-C3' 125.724 5.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . 0.636 ' H21' ' HA ' ' C' ' 123' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O5'-C5'-C4' 115.758 3.97 OUTLIER-DELTA 0.01 3d . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C3'-C2'-C1' 104.724 3.583 . 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 O4'-C4'-C3' 108.605 2.218 . 0.154 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C5'-C4'-O4' 113.34 2.957 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 1 C4'-C3'-C2' 98.209 -4.491 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.359 0 C5'-C4'-O4' 113.441 3.029 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C5'-C4'-O4' 112.263 2.188 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 C4'-C3'-C2' 99.591 -3.109 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O5'-C5'-C4' 115.351 3.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C2'-C3'-O3' 119.413 3.005 . 0.738 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 P-O3'-C3' 123.293 2.994 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.631 0 P-O3'-C3' 123.089 2.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.529 1 O4'-C1'-N19 112.281 4.081 . 0.012 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 O4'-C1'-N19 111.889 3.689 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.173 0 C4'-C3'-C2' 99.656 -3.044 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.268 0 C4'-C3'-C2' 99.87 -2.83 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 C5'-C4'-O4' 113.48 3.057 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 1 O4'-C1'-N19 112.582 4.382 . 0.479 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 N19-C1'-C2' 116.507 1.942 . 0.387 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.524 1 O4'-C1'-N19 112.548 4.348 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.671 1 C5'-C4'-O4' 115.128 4.234 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.462 1 O4'-C1'-N19 112.217 4.017 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.665 1 O4'-C1'-N19 113.382 5.182 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.514 0 C4'-C3'-O3' 118.07 2.873 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.266 0 P-O3'-C3' 123.719 3.349 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.059 0 O4'-C1'-N19 111.414 3.214 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.066 0 O4'-C1'-N19 111.685 3.485 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 O4'-C1'-N19 110.653 2.453 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.31 0 C4'-C3'-C2' 100.424 -2.276 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.169 0 O4'-C1'-N19 110.535 2.335 . 0.01 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C3'-C2'-C1' 104.388 3.209 . 0.247 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.859 0 P-O3'-C3' 124.082 3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.058 0 C4'-C3'-C2' 99.938 -2.762 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C4'-C3'-C2' 99.761 -2.939 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 111.783 3.583 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 O4'-C1'-N19 111.713 3.513 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.422 0.154 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 36.0 p -109.06 -9.15 15.08 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.294 1.438 . . . . 0.0 114.253 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.15 137.58 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.471 1.908 . . . . 0.0 110.066 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.29 7.92 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 6.9 t -144.87 171.73 14.02 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.48 1.112 . . . . 0.0 112.208 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . 171.26 -161.36 33.87 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 126.269 1.89 . . . . 0.0 111.936 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -46.38 145.16 1.82 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.13 2.172 . . . . 0.0 113.761 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -136.14 162.44 32.94 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.316 1.446 . . . . 0.0 111.535 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -148.62 -17.05 0.32 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.362 1.616 . . . . 0.0 115.362 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.0 144.23 48.9 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.024 1.33 . . . . 0.0 112.559 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -144.51 163.91 32.46 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.202 1.801 . . . . 0.0 111.761 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -134.53 12.36 3.77 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.482 1.513 . . . . 0.0 113.823 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.38 178.09 48.14 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.678 1.609 . . . . 0.0 112.552 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.6 -178.53 48.38 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.187 0.899 . . . . 0.0 113.896 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -148.4 173.54 12.97 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.702 1.601 . . . . 0.0 111.504 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -143.59 -27.69 0.54 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.051 1.341 . . . . 0.0 112.966 175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 47.23 34.64 3.19 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.292 1.837 . . . . 0.0 115.127 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 29.0 mmt-85 -83.01 168.17 17.22 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 127.184 2.194 . . . . 0.0 111.669 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 32.6 m -52.34 107.11 0.18 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.321 1.448 . . . . 0.0 111.206 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 50.57 39.67 21.8 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.543 1.537 . . . . 0.0 113.115 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -155.86 128.91 8.06 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.442 1.097 . . . . 0.0 113.212 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -140.37 159.02 43.12 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.541 1.536 . . . . 0.0 107.39 169.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . 0.636 ' HA ' ' H21' ' B' ' 37' ' ' ' G' . 56.5 mtt85 -60.14 12.28 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 127.851 2.46 . . . . 0.0 116.873 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -122.15 4.26 9.81 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.638 1.975 . . . . 0.0 114.415 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -136.44 131.22 33.79 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 120.371 -1.456 . . . . 0.0 113.268 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.46 129.86 43.71 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.476 -1.39 . . . . 0.0 113.383 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.95 -27.29 60.13 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.513 -0.742 . . . . 0.0 112.525 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -78.27 -39.04 41.26 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.0 -5.16 6.23 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -176.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . 0.256 70.6 mmtt 71.18 5.2 5.37 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.038 2.135 . . . . 0.0 115.666 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -69.08 141.1 54.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.064 1.302 . . . . 0.0 111.289 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -87.5 143.05 27.41 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.436 1.094 . . . . 0.0 111.679 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 110.11 -8.3 31.18 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 125.332 1.444 . . . . 0.0 116.505 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -151.22 178.4 9.28 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.232 1.516 . . . . 0.0 112.87 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -118.5 156.54 28.9 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.849 2.06 . . . . 0.0 110.909 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 136' ' ' ALA . . . . . 0.412 ' HA ' ' HB2' ' C' ' 139' ' ' CYS . . . -50.24 -39.35 44.52 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.849 1.66 . . . . 0.0 113.122 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -53.18 -22.36 6.44 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.699 1.6 . . . . 0.0 113.506 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -131.82 15.93 4.78 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.03 2.132 . . . . 0.0 113.112 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 139' ' ' CYS . . . . . 0.412 ' HB2' ' HA ' ' C' ' 136' ' ' ALA . 31.5 t -56.37 132.39 76.21 Favored Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 124.788 1.235 . . . . 0.0 113.801 -177.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -72.01 -9.15 24.19 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.254 2.636 . . . . 0.0 112.515 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -107.74 2.17 23.52 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.369 2.268 . . . . 0.0 112.234 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.08 80.62 70.6 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.659 1.583 . . . . 0.0 110.815 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.69 162.0 1.14 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.738 3.625 . . . . 0.0 116.457 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -95.97 35.92 1.36 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 126.475 1.91 . . . . 0.0 111.771 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 177.34 179.77 47.76 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 125.757 1.646 . . . . 0.0 113.314 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -81.11 158.54 83.58 Favored 'Cis proline' 0 CA--C 1.54 0.813 0 CA-C-N 118.194 0.997 . . . . 0.0 112.729 27.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -143.54 32.66 1.3 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.265 1.426 . . . . 0.0 113.999 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 179.3 175.06 45.92 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.494 1.521 . . . . 0.0 113.39 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -72.67 166.21 30.54 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.995 3.13 . . . . 0.0 112.863 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -63.24 157.05 65.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.693 1.197 . . . . 0.0 112.161 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.87 19.1 0.29 Allowed 'Trans proline' 0 CA--C 1.551 1.35 0 C-N-CA 124.429 3.419 . . . . 0.0 116.054 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -149.0 169.78 19.84 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.047 1.739 . . . . 0.0 111.335 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 32.2 p -60.47 162.2 6.59 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.592 1.157 . . . . 0.0 113.092 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 15.7 t -153.31 167.41 29.46 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.882 1.273 . . . . 0.0 111.863 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 96.6 mt -126.64 4.56 6.77 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.623 1.969 . . . . 0.0 112.436 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.473 0.716 0 C-N-CA 127.242 2.217 . . . . 0.0 113.138 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.36 0.124 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.3 m -140.39 145.94 37.72 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.32 1.448 . . . . 0.0 110.363 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.51 162.4 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.63 1.572 . . . . 0.0 111.877 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.86 159.65 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.971 1.709 . . . . 0.0 110.369 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -146.7 162.25 38.89 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.921 1.288 . . . . 0.0 111.892 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.94 -175.09 47.03 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.449 1.499 . . . . 0.0 113.202 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -140.86 162.32 35.72 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.475 1.51 . . . . 0.0 112.187 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -132.05 3.63 4.05 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.629 1.572 . . . . 0.0 113.801 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -70.23 153.21 43.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.37 1.068 . . . . 0.0 112.469 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -84.65 172.37 11.62 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.118 1.367 . . . . 0.0 113.236 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -141.51 127.36 19.29 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.911 1.284 . . . . 0.0 111.38 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -72.35 149.51 44.3 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.489 1.115 . . . . 0.0 110.26 176.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.99 173.76 32.57 Favored Glycine 0 CA--C 1.534 1.241 0 O-C-N 121.538 -0.727 . . . . 0.0 114.76 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.3 -153.56 23.47 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.852 1.691 . . . . 0.0 111.676 -178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -140.24 148.75 41.96 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.582 -0.952 . . . . 0.0 111.262 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -138.54 172.53 12.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.353 2.261 . . . . 0.0 109.738 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -125.51 136.08 52.96 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.27 1.428 . . . . 0.0 109.906 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -72.86 154.3 40.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.596 1.158 . . . . 0.0 112.2 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.8 m -128.59 -172.76 2.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.042 2.137 . . . . 0.0 109.459 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -55.89 112.78 1.27 Allowed 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.97 -1.081 . . . . 0.0 111.613 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.8 mt -139.45 149.6 44.22 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.695 1.998 . . . . 0.0 109.096 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 24' ' ' ASP . 11.8 m-20 -143.29 156.03 44.62 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 126.46 1.904 . . . . 0.0 107.534 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -75.41 22.1 0.13 Allowed 'General case' 0 N--CA 1.484 1.266 0 O-C-N 120.704 -1.247 . . . . 0.0 112.994 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 22' ' ' ASP . 19.6 m-20 -133.47 10.22 4.05 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 129.201 3.001 . . . . 0.0 111.438 175.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -130.37 138.64 50.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.243 1.417 . . . . 0.0 111.8 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.6 t -69.87 131.17 44.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.382 1.473 . . . . 0.0 112.957 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.57 -13.35 60.35 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -100.92 -32.98 10.39 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -177.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -123.88 -3.94 8.12 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 72.01 -0.41 3.23 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.504 2.322 . . . . 0.0 115.073 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.57 159.26 30.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.476 1.035 . . . . 0.0 111.848 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -109.23 154.89 21.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.939 1.296 . . . . 0.0 112.109 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.23 56.9 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.484 1.516 . . . . 0.0 114.505 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -152.02 179.1 8.77 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.658 1.583 . . . . 0.0 111.774 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -121.18 161.91 21.04 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.442 1.897 . . . . 0.0 109.726 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.48 -33.68 22.19 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.235 1.014 . . . . 0.0 113.406 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -50.42 -29.5 10.34 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.365 1.866 . . . . 0.0 113.407 176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -127.09 19.52 7.01 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.407 1.883 . . . . 0.0 112.977 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.6 t -54.54 129.24 62.27 Favored Pre-proline 0 CA--C 1.553 1.084 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.24 -18.01 39.66 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 122.843 2.362 . . . . 0.0 113.151 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -74.95 -20.91 59.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.74 0.816 . . . . 0.0 111.956 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 151.72 65.42 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 124.189 0.996 . . . . 0.0 112.156 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -75.64 40.19 0.69 Allowed 'Trans proline' 0 CA--C 1.553 1.456 0 C-N-CA 125.025 3.817 . . . . 0.0 112.777 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -54.45 149.29 10.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.824 2.05 . . . . 0.0 114.134 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.63 -174.36 30.36 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 126.86 2.171 . . . . 0.0 112.366 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.73 136.03 37.06 Favored 'Cis proline' 0 CA--C 1.537 0.662 0 CA-C-N 118.945 1.372 . . . . 0.0 111.753 28.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -160.22 141.66 12.48 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.755 1.622 . . . . 0.0 110.876 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.9 54.94 0.03 OUTLIER Glycine 0 CA--C 1.539 1.567 0 CA-C-O 118.376 -1.235 . . . . 0.0 115.195 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -70.12 155.19 65.33 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.003 2.469 . . . . 0.0 112.381 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -138.6 71.18 44.55 Favored Pre-proline 0 N--CA 1.481 1.109 0 C-N-CA 125.584 1.554 . . . . 0.0 111.395 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.74 144.48 53.83 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.788 2.992 . . . . 0.0 114.004 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -154.39 149.66 27.08 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.258 1.423 . . . . 0.0 110.678 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 p -136.03 168.44 19.36 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.019 1.728 . . . . 0.0 111.089 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.8 t -155.93 160.35 40.04 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.085 1.354 . . . . 0.0 111.092 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.471 0.612 0 C-N-CA 126.166 1.786 . . . . 0.0 110.266 -179.804 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.171 0 C4'-C3'-C2' 99.527 -3.173 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.106 0 C4'-C3'-C2' 99.48 -3.22 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 111.853 3.653 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.866 3.666 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.971 0 O4'-C1'-N19 112.004 3.804 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 1 O4'-C1'-N19 113.023 4.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.453 0 O5'-C5'-C4' 115.452 3.751 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.958 0 C5'-C4'-C3' 110.697 -3.202 . 0.09 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.124 1 C5'-C4'-C3' 109.432 -4.045 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.577 1 C5'-C4'-C3' 109.296 -4.136 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.98 1 O4'-C1'-N19 112.26 4.06 . 0.3 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 1 O4'-C1'-N19 112.488 4.288 . 0.329 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.512 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.537 2.053 0 C5'-C4'-O4' 114.378 3.698 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . 0.512 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C4'-C3'-C2' 100.247 -2.453 . 0.301 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C5'-C4'-C3' 111.882 -2.412 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.193 0 C5'-C4'-O4' 113.358 2.97 . 0.01 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C3'-C2'-C1' 104.614 3.46 . 0.249 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.561 2 C3'-C2'-C1' 105.624 4.582 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.593 0 O5'-C5'-C4' 114.67 3.193 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 O5'-C5'-C4' 115.334 3.667 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.196 2 C4'-C3'-C2' 97.705 -4.995 . 0.437 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.353 0 O4'-C1'-N19 112.077 3.877 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C5'-C4'-C3' 110.845 -3.103 . 0.586 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 1 C4'-C3'-C2' 97.945 -4.755 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 1 O4'-C1'-N19 112.504 4.304 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O4'-C1'-N19 111.13 2.93 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 98.751 -3.949 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.131 1 O4'-C1'-N19 112.383 4.183 . 0.635 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.28 0 O4'-C1'-N19 110.709 2.509 . 0.618 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C3'-C2'-C1' 105.1 4.0 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 1 O4'-C1'-N19 112.463 4.263 . 0.456 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 112.036 3.836 OUTLIER-EPSILON 0.397 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 1 P-O3'-C3' 126.694 5.828 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . 0.437 ' C6 ' ' HE2' ' C' ' 142' ' ' LYS . . . . . . . . 0 C5'--C4' 1.541 2.383 1 O4'-C1'-N19 112.699 4.499 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.878 1 O4'-C1'-N19 112.302 4.102 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.428 0 C3'-C2'-C1' 103.855 2.617 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.165 3 O4'-C1'-N19 114.953 6.753 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 O4'-C1'-N19 111.522 3.322 . 0.143 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 O4'-C1'-N19 111.398 3.198 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 0 C4'-C3'-C2' 98.716 -3.984 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 C4'-C3'-C2' 99.707 -2.993 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C4'-C3'-C2' 100.139 -2.561 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 100.545 -2.155 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.593 -3.107 . 0.417 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 P-O3'-C3' 122.954 2.712 . 0.561 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 99.368 -3.332 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.5 1 C3'-C2'-C1' 105.412 4.347 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.401 0 P-O3'-C3' 123.453 3.127 . 0.018 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 1 C4'-C3'-C2' 98.295 -4.405 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.127 0 C4'-C3'-C2' 99.185 -3.515 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.366 0 C4'-C3'-C2' 99.64 -3.06 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 0 C5'-C4'-O4' 113.484 3.06 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 113.465 5.265 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.342 0 O4'-C1'-N19 111.989 3.789 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.32 1 O4'-C1'-N19 113.321 5.121 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.781 -2.919 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.865 0 O4'-C4'-C3' 108.738 2.313 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.035 1 O4'-C1'-N19 112.233 4.033 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 O4'-C1'-N19 111.698 3.498 . 0.056 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.535 2 O4'-C1'-N19 112.586 4.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 0 C4'-C3'-C2' 99.681 -3.019 . 0.204 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 C4'-C3'-C2' 99.029 -3.671 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.004 0 O4'-C1'-N19 111.143 2.943 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 99.507 -3.193 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.618 0 P-O3'-C3' 122.174 2.062 . 0.049 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 N19-C1'-C2' 116.453 1.908 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.005 0 C4'-C3'-C2' 99.301 -3.399 . 0.229 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 C4'-C3'-C2' 99.487 -3.213 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 C4'-C3'-C2' 99.582 -3.118 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.93 3.73 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 0 O4'-C1'-N19 111.804 3.604 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.464 0.173 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 43.1 p -124.28 2.33 8.48 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.171 1.389 . . . . 0.0 114.132 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.43 150.68 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.718 1.607 . . . . 0.0 110.586 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.95 15.25 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 125.383 1.473 . . . . 0.0 113.523 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 86.7 p -145.77 -178.56 6.17 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.379 1.872 . . . . 0.0 112.003 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -161.69 175.16 38.27 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.16 0.886 . . . . 0.0 113.91 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -142.03 173.01 11.91 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.216 1.807 . . . . 0.0 111.084 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -133.64 159.23 41.11 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.564 1.546 . . . . 0.0 112.233 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -136.23 44.54 2.42 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.671 1.588 . . . . 0.0 112.056 -176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -53.52 145.96 13.81 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.103 1.361 . . . . 0.0 113.035 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -131.23 160.14 35.71 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.358 1.463 . . . . 0.0 112.739 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -55.77 137.58 49.57 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.422 1.489 . . . . 0.0 113.015 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.27 -168.91 25.61 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.937 1.732 . . . . 0.0 112.377 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 171.64 -7.65 0.04 OUTLIER Glycine 0 CA--C 1.533 1.175 0 N-CA-C 116.938 1.535 . . . . 0.0 116.938 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -85.39 154.44 21.85 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 120.497 2.149 . . . . 0.0 110.966 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -137.74 163.45 31.3 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.513 1.525 . . . . 0.0 111.769 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 16.6 ttt85 64.78 175.42 0.2 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 126.533 1.933 . . . . 0.0 112.747 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 53.8 mtt-85 -122.73 22.47 9.77 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.284 1.434 . . . . 0.0 113.646 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 10.4 m -47.05 -21.5 0.24 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 128.096 2.558 . . . . 0.0 116.811 -178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -138.29 36.25 2.3 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.389 1.476 . . . . 0.0 111.641 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 15.7 mt -138.7 164.98 28.13 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -148.68 156.93 43.05 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 130.321 3.448 . . . . 0.0 105.914 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -63.74 -6.59 5.85 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.018 -1.676 . . . . 0.0 115.468 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -119.03 9.95 12.0 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.913 1.685 . . . . 0.0 112.888 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -107.92 131.44 54.52 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.307 1.043 . . . . 0.0 112.408 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 52.0 t -57.76 128.88 39.32 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 120.355 -1.466 . . . . 0.0 113.79 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.28 -22.27 66.77 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -94.36 -74.5 0.54 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.01 1.324 . . . . 0.0 114.056 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 1.5 p -82.72 -10.53 58.86 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -175.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm 72.14 13.0 5.85 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.838 2.055 . . . . 0.0 114.875 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.61 149.86 49.39 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 119.963 1.256 . . . . 0.0 110.357 173.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -105.89 118.54 36.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.745 1.157 . . . . 0.0 110.627 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 145.4 -14.07 1.83 Allowed Glycine 0 CA--C 1.538 1.516 0 C-N-CA 126.102 1.81 . . . . 0.0 114.527 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -152.95 172.85 16.17 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 112.665 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -109.75 157.23 19.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.463 1.905 . . . . 0.0 111.122 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -48.07 -35.75 11.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.54 1.536 . . . . 0.0 114.235 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -51.19 -24.8 4.6 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.687 1.995 . . . . 0.0 114.015 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -129.87 17.32 5.7 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.52 1.928 . . . . 0.0 113.199 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 38.3 t -56.16 130.16 74.15 Favored Pre-proline 0 CA--C 1.554 1.111 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.09 -17.49 28.14 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.863 2.375 . . . . 0.0 112.758 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -82.01 3.03 28.21 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.399 1.08 . . . . 0.0 111.992 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 142' ' ' LYS . . . . . 0.437 ' HE2' ' C6 ' ' B' ' 35' ' ' ' G' . 28.6 mtpp -116.72 63.5 2.93 Favored Pre-proline 0 N--CA 1.481 1.116 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 178.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.66 -45.88 0.14 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 123.138 2.559 . . . . 0.0 112.363 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -161.43 29.49 0.13 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.426 2.29 . . . . 0.0 112.805 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . 139.12 -155.4 23.89 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 128.572 2.986 . . . . 0.0 106.975 -172.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -103.8 -6.01 9.13 Favored 'Cis proline' 0 CA--C 1.544 1.022 0 CA-C-N 121.678 2.739 . . . . 0.0 112.206 23.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -145.0 161.22 39.93 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.129 1.771 . . . . 0.0 112.565 -175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.39 175.77 42.23 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.701 1.62 . . . . 0.0 111.534 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.04 151.61 85.19 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 122.817 2.344 . . . . 0.0 111.228 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 42.43 73.4 0.93 Allowed Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 127.136 2.175 . . . . 0.0 114.013 -178.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.07 156.88 11.93 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.875 3.05 . . . . 0.0 113.816 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -147.85 21.37 1.13 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 40.5 p -65.36 154.48 38.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.441 1.096 . . . . 0.0 113.306 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 60.8 p -71.35 -8.09 51.47 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 45.7 tp -59.94 -27.05 66.45 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.528 1.531 . . . . 0.0 114.095 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 125.59 1.556 . . . . 0.0 111.285 -179.264 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.188 0.042 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.03 13.72 3.93 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.443 1.097 . . . . 0.0 113.304 -177.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.3 t 48.27 26.57 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 127.496 2.318 . . . . 0.0 114.323 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.8 t 55.06 31.35 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.939 1.695 . . . . 0.0 112.272 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -130.68 18.85 5.17 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.914 1.686 . . . . 0.0 113.589 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -168.06 174.7 42.96 Favored Glycine 0 CA--C 1.533 1.169 0 O-C-N 121.219 -0.925 . . . . 0.0 113.975 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -142.44 173.57 11.41 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.359 1.863 . . . . 0.0 111.144 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -140.4 140.09 35.41 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.602 1.561 . . . . 0.0 110.509 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -145.17 17.11 1.55 Allowed 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -143.8 167.42 22.35 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.897 1.279 . . . . 0.0 112.852 -178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 177.21 10.11 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.25 1.82 . . . . 0.0 111.858 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -124.23 162.4 23.76 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.33 1.452 . . . . 0.0 112.166 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.8 -161.5 30.24 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.19 1.376 . . . . 0.0 112.764 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.42 168.23 32.6 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.853 1.216 . . . . 0.0 113.146 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.66 14.1 4.05 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.752 1.221 . . . . 0.0 113.879 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.9 144.55 38.67 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.49 1.116 . . . . 0.0 112.199 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -123.95 168.27 13.03 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.738 2.015 . . . . 0.0 109.432 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.1 mtm-85 -134.86 143.13 46.82 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.703 0.801 . . . . 0.0 112.341 -174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.5 m -118.9 47.48 1.65 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.811 1.644 . . . . 0.0 109.428 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 63.37 179.27 0.15 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.889 2.076 . . . . 0.0 111.321 -174.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.52 HD12 ' C2 ' ' B' ' 8' ' ' ' U' . 2.3 mt -165.08 166.52 19.09 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.592 1.557 . . . . 0.0 110.663 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -151.99 158.24 42.82 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.637 1.575 . . . . 0.0 109.552 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.48 14.27 0.14 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 126.165 1.786 . . . . 0.0 113.867 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -134.8 18.16 3.53 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 128.183 2.593 . . . . 0.0 111.465 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -133.29 145.07 50.13 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.816 1.246 . . . . 0.0 112.226 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.5 t -74.81 130.48 39.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.655 1.582 . . . . 0.0 113.358 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.72 -13.81 60.65 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -93.31 -71.02 0.67 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.665 1.12 . . . . 0.0 112.178 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 2.6 p -88.24 -5.78 58.18 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -174.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.1 mttt 74.31 3.03 4.27 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.872 2.469 . . . . 0.0 114.438 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -65.94 150.67 48.26 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.469 1.031 . . . . 0.0 113.141 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.01 146.61 24.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.089 1.756 . . . . 0.0 110.864 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.51 -6.69 45.59 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.304 1.431 . . . . 0.0 115.215 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -151.87 -179.47 7.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.175 1.39 . . . . 0.0 111.821 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -124.32 164.33 19.83 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.506 1.923 . . . . 0.0 110.038 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.17 -33.84 9.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.763 0.825 . . . . 0.0 113.169 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -45.3 -35.81 3.7 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.442 2.297 . . . . 0.0 113.564 175.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -123.93 15.08 9.27 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.28 1.832 . . . . 0.0 113.477 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.1 t -56.27 120.52 35.78 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.49 -20.67 42.04 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.392 2.728 . . . . 0.0 114.483 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -102.62 -18.17 15.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.577 1.551 . . . . 0.0 114.253 -177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -75.31 135.19 72.94 Favored Pre-proline 0 N--CA 1.479 0.976 0 CA-C-N 119.796 1.18 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.15 145.56 33.96 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 123.401 2.734 . . . . 0.0 112.933 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -116.41 171.08 8.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.096 1.359 . . . . 0.0 111.665 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.98 -179.46 43.69 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 124.344 0.973 . . . . 0.0 113.691 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -83.77 167.04 62.43 Favored 'Cis proline' 0 CA--C 1.543 0.931 0 CA-C-N 118.107 0.954 . . . . 0.0 113.266 27.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -147.54 164.74 32.47 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.694 1.598 . . . . 0.0 112.326 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.37 -171.23 44.36 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.117 1.341 . . . . 0.0 112.837 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -66.4 156.22 66.3 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.327 2.685 . . . . 0.0 112.07 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -139.79 154.29 70.74 Favored Pre-proline 0 N--CA 1.479 1.009 0 C-N-CA 125.669 1.587 . . . . 0.0 111.692 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.03 -16.46 25.55 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.315 2.677 . . . . 0.0 114.215 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 58.76 20.31 7.76 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.323 1.849 . . . . 0.0 114.508 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.6 p -143.08 175.06 10.14 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.807 2.043 . . . . 0.0 110.775 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -63.45 -15.03 56.52 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 127.882 2.473 . . . . 0.0 113.459 179.223 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 C4'-C3'-C2' 99.589 -3.111 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.797 -2.903 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 O4'-C1'-N19 111.554 3.354 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.194 -3.506 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 O4'-C1'-N19 111.526 3.326 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 0 C4'-C3'-C2' 99.98 -2.72 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.839 3 C5'-C4'-C3' 108.165 -4.89 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.52 ' C2 ' HD12 ' A' ' 21' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O3'-P-O5' 99.177 -2.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.903 1 O4'-C1'-N19 113.06 4.86 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.588 0 C5'-C4'-C3' 109.669 -3.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C4'-C3'-C2' 99.22 -3.48 . 0.236 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 O4'-C1'-N19 111.985 3.785 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' U' . . . . . 0.461 " H2'" ' C8 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 C5'--C4' 1.538 2.166 0 C5'-C4'-O4' 113.513 3.081 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . 0.461 ' C8 ' " H2'" ' B' ' 13' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 112.124 3.924 . 0.395 7a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.729 0 O5'-C5'-C4' 114.599 3.142 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 110.751 -3.166 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C3'-C2'-C1' 104.623 3.47 . 0.317 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.39 1 C3'-C2'-C1' 106.631 5.701 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.558 3.682 0 N19-C1'-C2' 118.388 3.118 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.402 ' C2 ' ' N6 ' ' B' ' 14' ' ' ' A' . . . . . . . . 0 P--O3' 1.647 3.307 0 P-O3'-C3' 123.832 3.443 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 C4'-C3'-C2' 98.717 -3.983 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 O4'-C1'-N19 111.377 3.177 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 C5'-C4'-C3' 111.238 -2.841 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 C4'-C3'-C2' 97.576 -5.124 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.514 0 O4'-C1'-N19 112.091 3.891 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C4'-C3'-C2' 99.97 -2.73 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 1 C4'-C3'-C2' 98.292 -4.408 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.112 1 O4'-C1'-N19 112.264 4.064 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C5'-C4'-O4' 113.175 2.839 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C3'-C2'-C1' 104.033 2.815 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 2 O4'-C1'-N19 112.718 4.518 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 112.036 3.836 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 C4'-C3'-C2' 99.329 -3.371 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O5'-C5'-C4' 115.022 3.445 . 0.012 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 111.959 3.759 . 0.295 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ' G' . . . . . 0.443 HO2' ' P ' ' B' ' 38' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C4'-C3'-O3' 116.512 2.274 OUTLIER-EPSILON 0.09 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ' U' . . . . . 0.443 ' P ' HO2' ' B' ' 37' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.367 3 P-O3'-C3' 125.578 4.898 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.013 0 O4'-C1'-N19 111.748 3.548 . 0.185 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 1 O4'-C1'-N19 112.652 4.452 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 C5'-C4'-O4' 113.334 2.953 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C4'-C3'-C2' 98.767 -3.933 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.078 0 O4'-C1'-N19 112.128 3.928 . 0.578 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 C4'-C3'-C2' 100.126 -2.574 . 0.555 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.188 -3.512 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 0 C4'-C3'-C2' 100.492 -2.208 . 0.401 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.868 3.668 . 0.293 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 1 O4'-C1'-N19 112.327 4.127 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.12 0 O4'-C1'-N19 111.738 3.538 . 0.447 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 O4'-C1'-N19 112.011 3.811 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 99.681 -3.019 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.249 0 C4'-C3'-C2' 99.78 -2.92 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.505 0 C5'-C4'-O4' 113.416 3.011 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 O4'-C1'-N19 111.77 3.57 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.334 -3.366 . 0.404 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.337 3 P-O3'-C3' 125.835 5.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C5'-C4'-O4' 113.861 3.329 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.603 1 O4'-C1'-N19 115.074 6.874 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.663 0 O5'-C5'-C4' 114.732 3.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.413 1 C4'-C3'-O3' 121.417 4.16 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 1 P-O3'-C3' 126.077 5.314 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.655 -3.045 . 0.919 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 O4'-C1'-N19 111.548 3.348 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.95 -2.75 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 110.767 2.567 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.474 0 O5'-C5'-C4' 113.527 2.376 . 0.186 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.364 0 C3'-C2'-C1' 104.826 3.695 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 C4'-C3'-C2' 99.299 -3.401 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 99.5 -3.2 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 C4'-C3'-C2' 99.808 -2.892 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C4'-C3'-C2' 99.395 -3.305 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.341 0 O4'-C1'-N19 111.62 3.42 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.282 0.104 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' THR . . . . . . . . . . . . . 52.0 p 47.38 42.73 14.53 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.969 1.707 . . . . 0.0 114.32 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.73 164.93 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.506 1.523 . . . . 0.0 113.202 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 104' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.31 165.0 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.817 1.647 . . . . 0.0 111.852 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 105' ' ' SER . . . . . . . . . . . . . 8.1 t -64.92 162.14 17.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.412 1.085 . . . . 0.0 113.205 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 106' ' ' GLY . . . . . . . . . . . . . . . -172.82 179.44 44.29 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.471 1.51 . . . . 0.0 113.179 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 107' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -128.45 10.06 6.14 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.955 1.302 . . . . 0.0 113.918 -177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -147.98 145.01 28.38 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.663 1.585 . . . . 0.0 111.148 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 109' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -145.67 173.03 12.43 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.209 1.804 . . . . 0.0 111.309 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -137.75 164.0 29.97 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.998 1.719 . . . . 0.0 111.189 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -137.39 37.43 2.49 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.272 1.829 . . . . 0.0 111.464 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -143.71 123.68 13.56 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.103 1.761 . . . . 0.0 109.984 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' GLY . . . . . . . . . . . . . . . 170.11 161.72 21.11 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 123.529 0.585 . . . . 0.0 114.253 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.36 144.75 3.99 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.618 1.58 . . . . 0.0 113.764 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -100.34 -4.86 28.29 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.018 1.327 . . . . 0.0 112.628 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -64.8 156.78 29.58 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.949 -1.094 . . . . 0.0 111.409 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 84.76 -22.03 0.22 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 129.239 3.016 . . . . 0.0 113.722 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -61.98 -26.1 68.02 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.208 1.003 . . . . 0.0 112.119 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' SER . . . . . . . . . . . . . 7.0 m -52.83 -14.45 0.56 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.833 2.453 . . . . 0.0 115.546 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -120.06 30.08 7.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.82 1.648 . . . . 0.0 113.103 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 63.5 mt -125.47 159.22 32.5 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.08 1.352 . . . . 0.0 113.486 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -144.89 158.44 43.8 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 129.539 3.136 . . . . 0.0 105.83 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -72.92 12.29 0.55 Allowed 'General case' 0 N--CA 1.484 1.275 0 O-C-N 119.953 -1.717 . . . . 0.0 115.363 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -116.48 8.1 13.94 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.403 1.881 . . . . 0.0 111.521 172.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -116.31 163.75 15.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.986 1.314 . . . . 0.0 113.769 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 34.8 t -86.85 126.41 34.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.451 1.5 . . . . 0.0 112.869 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.54 -23.24 64.43 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -80.8 -76.84 0.22 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.777 1.171 . . . . 0.0 111.638 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 129' ' ' CYS . . . . . . . . . . . . . 2.5 p -91.84 -4.1 55.25 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -171.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 130' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm 70.2 5.53 5.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 114.747 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 131' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.77 148.68 19.87 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.096 1.316 . . . . 0.0 110.652 175.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -100.83 120.71 40.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.678 1.191 . . . . 0.0 110.274 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 133' ' ' GLY . . . . . . . . . . . . . . . 137.17 -14.7 3.75 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.61 1.576 . . . . 0.0 115.272 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 134' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -150.25 172.49 15.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.413 1.485 . . . . 0.0 111.886 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 135' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -112.09 163.65 14.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.005 1.722 . . . . 0.0 110.55 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 136' ' ' ALA . . . . . . . . . . . . . . . -49.85 -38.52 35.5 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 137' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -56.03 -18.4 9.41 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.48 1.512 . . . . 0.0 114.266 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 138' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -125.91 12.93 7.88 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.642 1.977 . . . . 0.0 113.187 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 139' ' ' CYS . . . . . . . . . . . . . 43.2 t -54.3 122.25 36.1 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.063 0.945 . . . . 0.0 113.536 -178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 140' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.96 -10.37 24.6 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.125 2.55 . . . . 0.0 112.775 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 141' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -101.16 -3.02 29.91 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.842 1.657 . . . . 0.0 112.372 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 142' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.69 123.2 56.4 Favored Pre-proline 0 N--CA 1.477 0.923 0 CA-C-N 119.42 1.009 . . . . 0.0 110.669 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 143' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -73.89 163.48 36.9 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.267 2.645 . . . . 0.0 113.301 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 144' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -71.21 164.01 26.51 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.848 1.259 . . . . 0.0 111.346 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.44 176.04 44.15 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-O 119.274 -0.737 . . . . 0.0 114.485 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -80.3 157.98 86.72 Favored 'Cis proline' 0 CA--C 1.541 0.848 0 C-N-CA 125.154 -0.769 . . . . 0.0 113.011 27.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 147' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -146.82 154.06 40.9 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.589 1.556 . . . . 0.0 111.136 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 148' ' ' GLY . . . . . . . . . . . . . . . -175.79 -173.14 41.24 Favored Glycine 0 CA--C 1.539 1.583 0 C-N-CA 125.19 1.376 . . . . 0.0 112.697 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.42 167.17 23.13 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.676 2.917 . . . . 0.0 112.516 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 150' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -134.74 74.77 63.9 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 124.934 1.294 . . . . 0.0 111.731 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 151' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.39 -17.87 16.26 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.663 2.909 . . . . 0.0 113.864 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 152' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -152.05 158.96 43.75 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.114 1.766 . . . . 0.0 110.881 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 153' ' ' THR . . . . . . . . . . . . . 6.9 t -154.05 171.4 19.14 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.577 1.151 . . . . 0.0 111.884 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 154' ' ' SER . . . . . . . . . . . . . 66.3 m -141.54 147.5 37.83 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.807 1.643 . . . . 0.0 111.538 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.62 -15.48 61.73 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.562 1.145 . . . . 0.0 113.543 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 156' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 126.154 1.782 . . . . 0.0 110.514 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_