data_2mqv_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 2mqv _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 . . . . . . . . . . . . . 40.9 mt-30 . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.9 t -99.27 122.57 42.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.387 1.475 . . . . 0.0 112.113 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.09 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -82.8 -50.97 8.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -111.73 -4.35 14.7 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 67.81 12.22 8.73 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.184 1.794 . . . . 0.0 114.998 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.78 164.56 12.03 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.958 0.903 . . . . 0.0 110.348 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -117.26 124.66 49.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.598 1.559 . . . . 0.0 110.05 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.08 -13.18 4.69 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.97 1.748 . . . . 0.0 115.03 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -151.75 172.96 15.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.893 1.677 . . . . 0.0 111.464 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.53 162.14 15.98 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.898 1.679 . . . . 0.0 110.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -37.24 40.95 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -54.73 -21.72 11.82 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.079 1.752 . . . . 0.0 113.878 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.2 19.33 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.798 2.039 . . . . 0.0 112.995 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.61 126.8 65.09 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo . . . . . 0 C--N 1.354 0.844 0 C-N-CA 123.207 2.604 . . . . 0.0 113.025 -179.699 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -95.29 121.51 37.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.998 -1.064 . . . . 0.0 110.661 174.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.71 -23.28 67.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -89.82 -39.6 12.99 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.0 -4.41 8.53 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.27 14.0 mptt 67.67 9.67 7.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.501 1.921 . . . . 0.0 115.251 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.5 176.85 2.66 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.43 1.014 . . . . 0.0 110.354 170.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -124.66 149.43 47.16 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.05 -1.031 . . . . 0.0 112.701 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.08 -2.68 55.16 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.261 1.41 . . . . 0.0 114.731 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -153.33 169.15 23.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.85 1.66 . . . . 0.0 111.126 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -112.55 166.9 10.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.948 1.699 . . . . 0.0 110.025 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.36 47.66 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.931 0.893 . . . . 0.0 113.086 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.7 -12.73 3.17 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.389 1.876 . . . . 0.0 114.651 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -133.25 14.03 4.19 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.123 2.169 . . . . 0.0 112.64 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -56.96 124.01 62.63 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 124.286 1.034 . . . . 0.0 113.28 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.353 0.793 0 C-N-CA 122.989 2.459 . . . . 0.0 113.33 -178.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 CA--C 1.546 0.807 0 CA-C-O 120.732 0.301 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -84.11 125.32 32.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.936 1.294 . . . . 0.0 112.851 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.5 75.74 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.853 -1.154 . . . . 0.0 113.162 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -75.93 -42.61 48.22 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.72 -9.27 8.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.403 63.2 mttp 66.0 14.88 9.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.441 1.896 . . . . 0.0 116.082 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -73.89 167.37 21.6 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -112.04 161.03 16.91 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.66 66.96 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.387 1.47 . . . . 0.0 114.654 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.51 174.95 13.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 111.604 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -117.56 163.26 16.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.503 1.921 . . . . 0.0 109.544 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.35 48.54 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -60.34 -14.08 16.58 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.573 1.949 . . . . 0.0 113.065 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.31 13.36 5.58 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.837 2.455 . . . . 0.0 112.67 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -53.93 129.49 57.02 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.598 1.159 . . . . 0.0 113.425 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--N 1.354 0.848 0 C-N-CA 123.124 2.55 . . . . 0.0 113.444 -177.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.3 t -100.45 125.08 46.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.401 1.88 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.46 67.99 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -80.31 -38.61 30.33 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -126.16 -6.19 6.62 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.6 mptp? 69.9 1.86 3.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.543 2.337 . . . . 0.0 115.116 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -65.71 171.42 4.25 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.14 0.882 . . . . 0.0 111.158 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -116.38 164.24 14.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.819 1.247 . . . . 0.0 113.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.36 -1.49 76.55 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.565 1.555 . . . . 0.0 114.398 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -157.38 171.33 20.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.227 1.811 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -113.72 167.22 10.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.76 1.624 . . . . 0.0 109.185 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -39.05 59.35 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.12 -13.59 12.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.204 1.802 . . . . 0.0 113.775 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -130.82 17.24 5.19 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.66 2.384 . . . . 0.0 111.834 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -57.95 127.47 79.48 Favored Pre-proline 0 CA--C 1.55 0.96 0 O-C-N 121.613 -0.679 . . . . 0.0 112.553 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.351 0.698 0 C-N-CA 122.444 2.096 . . . . 0.0 112.774 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -99.32 119.31 37.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.801 1.24 . . . . 0.0 111.488 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -26.38 68.61 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -83.85 -43.61 15.17 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.88 -3.45 11.19 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm 69.54 6.95 5.97 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.6 1.96 . . . . 0.0 115.008 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.51 173.39 3.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.27 0.941 . . . . 0.0 111.521 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -126.64 139.51 53.11 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 111.188 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.07 -8.96 23.08 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.935 1.731 . . . . 0.0 114.109 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -152.1 171.07 18.45 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.556 1.942 . . . . 0.0 110.706 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -113.14 167.25 10.7 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.678 1.591 . . . . 0.0 110.618 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.91 -41.0 64.0 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 112.781 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -62.21 -6.13 2.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.693 1.997 . . . . 0.0 114.146 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -135.34 11.26 3.51 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.547 2.339 . . . . 0.0 111.921 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.57 129.87 81.09 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.907 1.283 . . . . 0.0 114.084 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo . . . . . 0 C--N 1.354 0.839 0 C-N-CA 123.574 2.849 . . . . 0.0 113.61 -178.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.4 t -103.94 118.0 35.65 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.514 1.526 . . . . 0.0 109.985 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -8.73 33.86 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -102.95 -37.63 7.72 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -6.59 9.53 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.272 7.3 ttmm 69.95 9.24 7.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.736 2.014 . . . . 0.0 115.569 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.4 174.05 2.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -132.33 137.84 47.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.576 1.15 . . . . 0.0 111.027 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.87 -9.84 11.32 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.037 1.78 . . . . 0.0 113.32 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -151.8 161.0 43.37 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.815 2.046 . . . . 0.0 110.398 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -98.97 164.45 12.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.748 1.219 . . . . 0.0 110.072 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.07 -35.35 61.96 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.5 -0.75 . . . . 0.0 112.987 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -62.39 -9.49 8.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.876 2.07 . . . . 0.0 112.951 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.58 16.93 3.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.456 2.703 . . . . 0.0 111.841 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t -58.38 122.52 60.34 Favored Pre-proline 0 CA--C 1.55 0.942 0 O-C-N 120.826 -1.171 . . . . 0.0 112.478 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo . . . . . 0 C--N 1.353 0.794 0 C-N-CA 122.609 2.206 . . . . 0.0 113.101 -178.123 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.5 t -83.05 125.06 31.04 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.841 1.256 . . . . 0.0 113.779 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.65 66.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.267 -0.896 . . . . 0.0 113.362 175.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -87.37 -57.8 2.82 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.216 0.916 . . . . 0.0 112.909 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.6 -6.92 21.18 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 67.71 6.31 4.96 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.544 1.937 . . . . 0.0 114.73 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.91 158.18 36.0 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 110.722 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -94.39 162.36 13.86 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.32 82.06 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.612 1.577 . . . . 0.0 116.437 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -155.33 175.62 13.62 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.794 1.297 . . . . 0.0 112.116 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -117.48 159.71 22.39 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.508 1.923 . . . . 0.0 108.76 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.17 -34.93 33.66 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.61 -20.54 21.57 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.392 1.477 . . . . 0.0 113.834 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.53 18.6 6.87 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.982 2.113 . . . . 0.0 112.694 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.64 124.39 26.0 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo . . . . . 0 C--N 1.352 0.757 0 C-N-CA 122.927 2.418 . . . . 0.0 114.56 -174.306 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.14 122.9 42.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.484 1.914 . . . . 0.0 110.883 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.17 -19.26 65.89 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -88.66 -42.13 12.19 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.63 -5.03 9.75 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.284 13.4 mptt 68.21 4.39 4.13 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.307 2.243 . . . . 0.0 115.247 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.59 172.76 3.15 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.222 0.919 . . . . 0.0 110.565 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -119.65 159.69 23.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.47 1.108 . . . . 0.0 113.837 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.18 -4.56 65.04 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.37 1.462 . . . . 0.0 114.758 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -153.41 169.64 22.64 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.324 1.849 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -111.27 163.45 13.93 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.794 1.638 . . . . 0.0 109.748 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -37.59 55.02 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -56.87 -18.59 13.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.936 1.695 . . . . 0.0 113.632 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.32 17.27 5.46 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.258 2.223 . . . . 0.0 112.964 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -52.0 125.16 31.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 123.697 0.799 . . . . 0.0 113.131 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo . . . . . 0 C--N 1.353 0.811 0 C-N-CA 122.806 2.337 . . . . 0.0 113.334 -177.5 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.57 123.45 35.87 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 113.987 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.99 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -92.92 -41.1 10.23 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -121.96 -4.67 9.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.285 13.7 mptt 65.89 13.52 9.07 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 114.863 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.38 174.32 5.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.179 -0.951 . . . . 0.0 111.021 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 155.13 28.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.5 1.52 . . . . 0.0 112.968 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.98 -3.87 70.82 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.411 1.482 . . . . 0.0 115.547 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -153.43 175.49 13.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.505 1.522 . . . . 0.0 111.616 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -117.71 164.27 15.24 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.445 1.898 . . . . 0.0 109.622 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.2 57.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.064 0.946 . . . . 0.0 112.705 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -54.18 -18.34 3.72 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.116 2.167 . . . . 0.0 113.976 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -133.3 15.34 4.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.333 2.253 . . . . 0.0 113.231 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.8 122.97 36.84 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.664 1.186 . . . . 0.0 113.702 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo . . . . . 0 C--N 1.352 0.76 0 C-N-CA 122.836 2.358 . . . . 0.0 112.857 -178.777 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -88.3 124.38 33.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.988 1.315 . . . . 0.0 113.108 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.97 -7.06 31.74 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -105.89 -35.68 7.24 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.001 1.32 . . . . 0.0 114.267 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.51 -6.76 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.283 62.3 mttm 66.63 11.39 8.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.724 2.01 . . . . 0.0 116.296 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.56 158.36 21.3 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.935 0.789 . . . . 0.0 109.605 170.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -104.37 143.85 32.43 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.274 1.029 . . . . 0.0 111.815 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.89 -7.43 35.8 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.343 1.449 . . . . 0.0 115.342 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -149.88 172.84 14.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.299 1.44 . . . . 0.0 111.7 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -116.08 162.73 16.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.185 1.794 . . . . 0.0 110.07 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.65 -40.87 41.08 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -66.51 -3.16 5.65 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.323 1.449 . . . . 0.0 114.321 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.5 10.95 4.08 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.931 2.492 . . . . 0.0 111.752 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.98 116.1 9.56 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo . . . . . 0 C--N 1.355 0.919 0 C-N-CA 123.69 2.927 . . . . 0.0 114.493 178.576 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.228 0.061 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -134.87 1.37 3.02 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.262 1.025 . . . . 0.0 113.477 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 t 64.45 -25.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 128.196 2.598 . . . . 0.0 115.64 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 t 62.81 29.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 126.46 1.904 . . . . 0.0 111.925 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -147.92 158.41 44.03 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.904 2.082 . . . . 0.0 110.516 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.67 7.68 4.91 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 115.959 1.144 . . . . 0.0 115.959 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 49.46 31.83 4.28 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.23 1.812 . . . . 0.0 114.813 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -55.81 141.16 39.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.017 1.327 . . . . 0.0 112.216 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -113.36 -20.75 11.23 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.285 1.834 . . . . 0.0 112.721 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 53.23 -130.64 2.19 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.409 1.884 . . . . 0.0 112.066 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 62.45 17.73 9.76 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.101 1.76 . . . . 0.0 114.003 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -150.58 157.82 43.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.074 2.149 . . . . 0.0 110.216 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.26 -29.14 0.35 Allowed Glycine 0 CA--C 1.535 1.314 0 N-CA-C 116.004 1.162 . . . . 0.0 116.004 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.63 -22.81 0.25 Allowed Glycine 0 CA--C 1.536 1.395 0 CA-C-N 118.379 1.09 . . . . 0.0 115.262 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.45 163.03 30.99 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.862 1.665 . . . . 0.0 110.733 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -129.59 32.67 4.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.06 1.344 . . . . 0.0 113.425 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -75.54 -170.24 1.21 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.514 1.926 . . . . 0.0 111.39 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -63.14 -2.94 1.5 Allowed 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 m -49.48 -16.49 0.21 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.867 2.467 . . . . 0.0 117.299 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -129.3 33.33 4.55 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.457 1.503 . . . . 0.0 112.132 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -129.51 161.38 30.58 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.541 1.536 . . . . 0.0 113.32 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -153.5 164.91 37.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.671 2.788 . . . . 0.0 107.412 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.0 0.82 1.68 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -113.7 8.05 17.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.747 1.619 . . . . 0.0 112.506 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.21 169.22 9.01 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.9 t -99.27 122.57 42.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.387 1.475 . . . . 0.0 112.113 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.09 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -82.8 -50.97 8.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -111.73 -4.35 14.7 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 67.81 12.22 8.73 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.184 1.794 . . . . 0.0 114.998 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.78 164.56 12.03 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.958 0.903 . . . . 0.0 110.348 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -117.26 124.66 49.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.598 1.559 . . . . 0.0 110.05 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.08 -13.18 4.69 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.97 1.748 . . . . 0.0 115.03 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -151.75 172.96 15.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.893 1.677 . . . . 0.0 111.464 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.53 162.14 15.98 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.898 1.679 . . . . 0.0 110.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -37.24 40.95 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -54.73 -21.72 11.82 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.079 1.752 . . . . 0.0 113.878 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.2 19.33 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.798 2.039 . . . . 0.0 112.995 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.61 126.8 65.09 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.98 -7.26 20.73 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.207 2.604 . . . . 0.0 113.025 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -108.48 6.96 26.64 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.972 1.709 . . . . 0.0 112.748 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -122.01 135.88 25.75 Favored Pre-proline 0 N--CA 1.479 0.977 0 CA-C-N 119.447 1.021 . . . . 0.0 112.585 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -52.84 162.77 2.34 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 124.289 3.326 . . . . 0.0 115.436 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -132.91 164.2 27.46 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.065 1.746 . . . . 0.0 111.48 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.41 176.69 29.74 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.171 0.891 . . . . 0.0 114.9 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.03 -23.44 10.21 Favored 'Cis proline' 0 CA--C 1.542 0.876 0 C-N-CA 124.562 -1.016 . . . . 0.0 114.653 29.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -137.12 28.59 2.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.484 1.513 . . . . 0.0 113.168 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.4 -168.82 24.53 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 126.688 2.09 . . . . 0.0 112.045 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.6 167.13 23.61 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.336 2.691 . . . . 0.0 111.857 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.2 mtp-105 -127.76 80.62 71.7 Favored Pre-proline 0 N--CA 1.478 0.959 0 C-N-CA 125.063 1.345 . . . . 0.0 111.901 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -73.69 172.27 16.13 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 123.747 2.965 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -131.84 12.39 4.8 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.902 1.281 . . . . 0.0 114.152 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.6 p -141.37 161.72 37.21 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.162 1.785 . . . . 0.0 111.493 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.1 p -155.39 168.12 28.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.304 1.442 . . . . 0.0 112.071 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.7 mt -140.89 159.51 42.06 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.181 1.792 . . . . 0.0 110.881 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 125.609 1.564 . . . . 0.0 110.867 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.129 0 O4'-C1'-N19 111.111 2.911 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 99.532 -3.168 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C5'-C4'-O4' 112.886 2.633 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 O4'-C1'-N19 111.667 3.467 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 C4'-C3'-C2' 99.472 -3.228 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.999 1 C4'-C3'-C2' 98.665 -4.035 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 C4'-C3'-C2' 99.435 -3.265 . 0.491 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 O4'-C1'-N19 110.848 2.648 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 0 C4'-C3'-C2' 100.003 -2.697 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 1 O4'-C1'-N19 112.212 4.012 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 1 O4'-C1'-N19 112.699 4.499 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 O4'-C1'-N19 111.668 3.468 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C4'-C3'-C2' 98.944 -3.756 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 1 C4'-C3'-C2' 98.381 -4.319 . 0.546 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 C3'-C2'-C1' 104.43 3.255 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 110.919 2.719 . 0.06 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 C5'-C4'-O4' 114.012 3.437 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 1 C3'-C2'-C1' 105.427 4.363 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.458 0 P-O3'-C3' 124.08 3.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C4'-C3'-C2' 99.515 -3.185 . 0.346 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 1 O4'-C1'-N19 112.488 4.288 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.172 0 C4'-C3'-C2' 99.26 -3.44 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.277 -3.423 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 1 O4'-C1'-N19 112.731 4.531 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 C3'-C2'-C1' 103.694 2.438 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 C4'-C3'-C2' 99.783 -2.917 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 O4'-C1'-N19 110.969 2.769 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 1 O4'-C1'-N19 112.477 4.277 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 1 C4'-C3'-C2' 97.656 -5.044 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.432 0 O5'-C5'-C4' 114.762 3.259 . 0.616 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 O4'-C1'-N19 111.975 3.775 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 112.042 3.842 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 1 O4'-C1'-N19 112.247 4.047 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 99.381 -3.319 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 O4'-C1'-N19 111.901 3.701 . 0.869 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.361 0 C3'-C2'-C1' 104.639 3.488 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O5'-C5'-C4' 114.823 3.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C3'-C2'-C1' 104.063 2.848 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 100.354 -2.346 . 0.072 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 C4'-C3'-C2' 99.033 -3.667 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C4'-C3'-C2' 99.164 -3.536 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 O4'-C1'-N19 111.888 3.688 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.446 0 O4'-C1'-N19 110.813 2.613 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C4'-C3'-C2' 99.807 -2.893 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ' U' . . . . . 0.435 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 O4'-C1'-N19 113.247 5.047 . 0.785 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ' C' . . . . . 0.435 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.541 2.377 0 O4'-C1'-N19 112.125 3.925 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.067 1 O4'-C1'-N19 113.064 4.864 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ' U' . . . . . 0.443 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.078 -3.622 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' ' U' . . . . . 0.443 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 112.168 3.968 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.813 3.613 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C4'-C3'-C2' 99.81 -2.89 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C3'-C2'-C1' 104.432 3.258 . 0.571 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 110.937 2.737 . 0.231 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 C5'-C4'-O4' 112.328 2.235 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.141 0 O5'-C5'-C4' 115.633 3.881 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 99.146 -3.554 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.171 2.971 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 C4'-C3'-C2' 99.393 -3.307 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.026 0 O4'-C1'-N19 110.902 2.702 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.136 1 O4'-C1'-N19 112.324 4.124 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.34 1 O4'-C1'-N19 112.214 4.014 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 O4'-C1'-N19 112.101 3.901 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 1 O4'-C1'-N19 114.378 6.178 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.642 3.442 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 C4'-C3'-C2' 100.102 -2.598 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.255 0 O4'-C1'-N19 111.853 3.653 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 O4'-C1'-N19 111.688 3.488 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 O4'-C1'-N19 111.608 3.408 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.324 0.106 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.1 m -140.65 141.76 35.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.058 1.343 . . . . 0.0 110.437 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.69 162.49 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.909 1.684 . . . . 0.0 111.232 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.7 161.34 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.654 1.582 . . . . 0.0 111.376 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -153.11 150.23 28.89 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.937 1.295 . . . . 0.0 111.052 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.66 174.47 36.69 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.089 1.328 . . . . 0.0 113.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -133.71 -0.32 3.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.589 1.155 . . . . 0.0 114.079 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 tptm 57.21 8.12 0.53 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 127.526 2.331 . . . . 0.0 115.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 62.42 173.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.609 2.363 . . . . 0.0 113.649 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -123.26 142.83 50.51 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.046 1.338 . . . . 0.0 111.249 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -131.67 12.63 4.89 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.507 1.523 . . . . 0.0 113.703 -174.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -138.59 -6.72 1.5 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.518 1.527 . . . . 0.0 113.778 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.5 -175.31 47.53 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.03 1.3 . . . . 0.0 112.822 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.51 177.51 47.85 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 123.981 0.801 . . . . 0.0 114.424 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 60.1 170.18 0.08 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.594 2.357 . . . . 0.0 116.777 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -144.94 -13.05 0.55 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.224 1.81 . . . . 0.0 113.477 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.58 -173.64 4.58 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.967 1.707 . . . . 0.0 111.927 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 62.94 -2.37 0.41 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 127.373 2.269 . . . . 0.0 116.384 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -48.7 111.69 0.5 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.838 1.655 . . . . 0.0 112.465 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 50.19 39.75 20.41 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.048 1.739 . . . . 0.0 114.361 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.27 91.16 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.275 1.03 . . . . 0.0 111.937 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -61.48 145.72 50.89 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.397 1.879 . . . . 0.0 111.929 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -64.9 0.76 1.08 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.304 1.841 . . . . 0.0 115.369 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -115.08 2.41 14.16 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.458 1.503 . . . . 0.0 113.071 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -94.7 164.86 12.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.65 1.58 . . . . 0.0 111.863 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -95.29 121.51 37.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.998 -1.064 . . . . 0.0 110.661 174.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.71 -23.28 67.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -89.82 -39.6 12.99 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.0 -4.41 8.53 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.27 14.0 mptt 67.67 9.67 7.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.501 1.921 . . . . 0.0 115.251 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.5 176.85 2.66 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.43 1.014 . . . . 0.0 110.354 170.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -124.66 149.43 47.16 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.05 -1.031 . . . . 0.0 112.701 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.08 -2.68 55.16 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.261 1.41 . . . . 0.0 114.731 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -153.33 169.15 23.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.85 1.66 . . . . 0.0 111.126 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -112.55 166.9 10.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.948 1.699 . . . . 0.0 110.025 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.36 47.66 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.931 0.893 . . . . 0.0 113.086 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.7 -12.73 3.17 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.389 1.876 . . . . 0.0 114.651 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -133.25 14.03 4.19 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.123 2.169 . . . . 0.0 112.64 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -56.96 124.01 62.63 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 124.286 1.034 . . . . 0.0 113.28 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.67 -15.34 40.95 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.989 2.459 . . . . 0.0 113.33 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -79.18 -20.94 47.15 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.218 1.007 . . . . 0.0 112.658 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -64.8 143.23 98.74 Favored Pre-proline 0 N--CA 1.479 1.003 0 CA-C-N 119.273 0.942 . . . . 0.0 112.206 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -39.21 93.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 126.534 4.823 . . . . 0.0 116.942 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 49.09 29.44 2.49 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.004 2.121 . . . . 0.0 114.345 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.84 -166.97 22.93 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 126.138 1.828 . . . . 0.0 113.467 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -56.32 137.04 10.22 Favored 'Cis proline' 0 CA--C 1.539 0.727 0 CA-C-N 117.649 0.725 . . . . 0.0 112.724 -26.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -154.85 158.31 39.18 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.014 1.326 . . . . 0.0 113.233 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.02 49.48 0.04 OUTLIER Glycine 0 CA--C 1.54 1.631 0 CA-C-O 118.204 -1.331 . . . . 0.0 115.687 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -68.91 109.63 2.19 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.135 2.557 . . . . 0.0 111.033 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -140.41 152.77 67.5 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 126.271 1.828 . . . . 0.0 112.039 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -70.45 166.12 29.52 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.4 2.733 . . . . 0.0 112.179 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -139.23 161.12 38.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.362 1.465 . . . . 0.0 111.604 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 m -57.96 139.64 53.95 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.445 1.498 . . . . 0.0 112.493 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -150.39 166.63 29.49 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.273 1.429 . . . . 0.0 112.145 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.8 tp -139.43 -11.79 1.2 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.869 1.268 . . . . 0.0 113.98 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 N--CA 1.472 0.633 0 C-N-CA 125.593 1.557 . . . . 0.0 110.55 179.734 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 C4'-C3'-C2' 99.714 -2.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 99.358 -3.342 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 99.575 -3.125 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 112.115 3.915 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C4'-C3'-C2' 99.661 -3.039 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 99.375 -3.325 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C4'-C3'-C2' 99.302 -3.398 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 0 C4'-C3'-C2' 99.89 -2.81 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C4'-C3'-C2' 100.026 -2.674 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.954 3.754 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.026 1 O4'-C1'-N19 112.741 4.541 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 0 O4'-C1'-N19 111.821 3.621 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 C4'-C3'-C2' 99.115 -3.585 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.831 2 O4'-C1'-N19 112.617 4.417 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.8 0 C3'-C2'-C1' 104.73 3.589 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 O4'-C1'-N19 111.797 3.597 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 C1'-O4'-C4' 105.787 -4.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C4'-C3'-C2' 99.404 -3.296 . 0.414 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.981 0 C5'-C4'-C3' 110.104 -3.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 111.144 2.944 . 0.29 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.809 3.609 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 99.31 -3.39 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 C4'-C3'-C2' 99.135 -3.565 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 1 O4'-C1'-N19 112.917 4.717 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.141 0 O4'-C1'-N19 111.285 3.085 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.31 0 C4'-C3'-C2' 99.646 -3.054 . 0.421 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 C4'-C3'-C2' 99.78 -2.92 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 1 O4'-C1'-N19 112.36 4.16 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 1 C4'-C3'-C2' 96.912 -5.788 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.135 0 C4'-C3'-C2' 100.002 -2.698 . 0.519 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 O4'-C1'-N19 111.86 3.66 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C1'-N19 111.678 3.478 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 O4'-C1'-N19 111.95 3.75 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C4'-C3'-C2' 100.032 -2.668 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.824 1 C5'-C4'-C3' 108.777 -4.482 . 0.899 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.288 0 C5'-C4'-C3' 110.085 -3.61 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.591 0 O5'-C5'-C4' 113.67 2.478 . 0.61 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C3'-C2'-C1' 103.606 2.34 . 0.833 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.151 -2.549 . 0.021 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C4'-C3'-C2' 99.036 -3.664 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 C4'-C3'-C2' 99.294 -3.406 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 0 C4'-C3'-C2' 99.141 -3.559 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.223 0 C5'-C4'-O4' 112.657 2.47 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 C4'-C3'-C2' 99.798 -2.902 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 1 O4'-C1'-N19 112.916 4.716 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 O4'-C1'-N19 112.101 3.901 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 1 O4'-C1'-N19 112.806 4.606 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' ' U' . . . . . 0.423 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C4'-C3'-C2' 99.165 -3.535 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' ' U' . . . . . 0.423 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.139 2 C4'-C3'-C2' 98.561 -4.139 . 0.554 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 O4'-C1'-N19 111.71 3.51 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 C4'-C3'-C2' 100.044 -2.656 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 100.176 -2.524 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 110.08 1.88 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 O4'-C1'-N19 112.146 3.946 . 0.05 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.876 0 C4'-C3'-C2' 99.229 -3.471 . 0.218 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C4'-C3'-C2' 99.039 -3.661 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 O4'-C1'-N19 111.224 3.024 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.967 0 C4'-C3'-C2' 99.44 -3.26 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 O4'-C1'-N19 110.703 2.503 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 O4'-C1'-N19 111.264 3.064 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.74 -2.96 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C1'-N19 111.619 3.419 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 1 O4'-C1'-N19 112.723 4.523 . 0.114 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 1 O4'-C1'-N19 112.396 4.196 . 0.469 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.609 -3.091 . 0.474 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.234 0 O4'-C1'-N19 111.833 3.633 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 O4'-C1'-N19 111.563 3.363 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.383 3.183 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 119.531 -0.271 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 p -139.38 160.98 38.56 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.777 1.631 . . . . 0.0 111.485 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -130.55 11.24 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 124.594 1.157 . . . . 0.0 113.893 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t 67.84 -51.4 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 128.79 2.836 . . . . 0.0 113.414 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -80.31 3.04 22.32 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.873 1.669 . . . . 0.0 113.654 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.35 176.64 44.56 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.459 1.504 . . . . 0.0 113.368 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -146.06 168.19 21.54 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.978 1.711 . . . . 0.0 112.546 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -144.05 145.83 32.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.744 1.618 . . . . 0.0 111.084 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -134.67 12.51 3.72 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.249 1.42 . . . . 0.0 113.714 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.0 156.63 30.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.217 1.407 . . . . 0.0 114.114 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -149.08 146.2 27.61 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.948 1.699 . . . . 0.0 111.067 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -157.05 153.68 28.3 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.844 1.658 . . . . 0.0 109.77 177.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.43 160.44 28.57 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.957 1.265 . . . . 0.0 112.998 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.25 37.69 0.06 OUTLIER Glycine 0 CA--C 1.534 1.267 0 N-CA-C 115.703 1.041 . . . . 0.0 115.703 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -146.65 144.49 29.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.525 1.13 . . . . 0.0 111.371 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttp85 -140.67 45.92 1.8 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.369 1.468 . . . . 0.0 111.307 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -138.6 161.46 37.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.928 1.691 . . . . 0.0 112.356 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -94.44 -9.04 36.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.965 1.706 . . . . 0.0 112.764 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 m -48.63 -17.16 0.15 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.812 2.845 . . . . 0.0 117.396 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -128.49 29.13 5.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.764 1.226 . . . . 0.0 113.296 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.3 mt -97.7 161.88 13.55 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 122.523 1.154 . . . . 0.0 112.534 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -149.88 137.32 19.87 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.347 2.659 . . . . 0.0 106.412 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -69.02 6.85 0.81 Allowed 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.935 1.458 . . . . 0.0 114.935 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -127.21 26.23 6.07 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 127.699 2.4 . . . . 0.0 110.683 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -132.69 153.37 51.19 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.789 2.036 . . . . 0.0 111.589 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -84.11 125.32 32.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.936 1.294 . . . . 0.0 112.851 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.5 75.74 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.853 -1.154 . . . . 0.0 113.162 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -75.93 -42.61 48.22 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.72 -9.27 8.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.403 63.2 mttp 66.0 14.88 9.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.441 1.896 . . . . 0.0 116.082 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -73.89 167.37 21.6 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -112.04 161.03 16.91 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.66 66.96 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.387 1.47 . . . . 0.0 114.654 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.51 174.95 13.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 111.604 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -117.56 163.26 16.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.503 1.921 . . . . 0.0 109.544 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.35 48.54 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -60.34 -14.08 16.58 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.573 1.949 . . . . 0.0 113.065 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.31 13.36 5.58 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.837 2.455 . . . . 0.0 112.67 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -53.93 129.49 57.02 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.598 1.159 . . . . 0.0 113.425 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.19 -18.56 56.26 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.124 2.55 . . . . 0.0 113.444 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -113.57 14.97 19.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.016 1.326 . . . . 0.0 113.877 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -54.55 134.87 63.29 Favored Pre-proline 0 N--CA 1.478 0.954 0 CA-C-N 118.915 0.78 . . . . 0.0 112.833 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.26 -6.76 19.15 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 123.427 2.752 . . . . 0.0 115.399 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -136.2 149.85 48.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.592 1.557 . . . . 0.0 111.635 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.22 -116.04 1.97 Allowed Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.143 1.83 . . . . 0.0 109.957 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -94.82 144.36 7.91 Favored 'Cis proline' 0 CA--C 1.542 0.894 0 CA-C-N 119.167 1.483 . . . . 0.0 111.535 26.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.31 40.94 5.74 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.128 1.771 . . . . 0.0 113.509 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.88 61.76 0.14 Allowed Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.742 1.163 . . . . 0.0 113.738 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -77.77 38.37 0.67 Allowed 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 125.138 3.892 . . . . 0.0 113.588 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -151.97 136.26 10.11 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 126.118 1.767 . . . . 0.0 111.015 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -70.67 165.93 30.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.158 2.572 . . . . 0.0 112.247 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -139.13 160.16 40.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.085 1.354 . . . . 0.0 111.649 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 m -141.28 148.57 40.02 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.654 1.582 . . . . 0.0 110.259 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -56.45 144.4 31.3 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.831 1.252 . . . . 0.0 112.922 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -150.58 175.45 11.9 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.399 1.48 . . . . 0.0 112.403 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 CA--C 1.54 0.596 0 C-N-CA 125.496 1.518 . . . . 0.0 110.745 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.263 0 C4'-C3'-C2' 99.994 -2.706 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 C4'-C3'-C2' 99.597 -3.103 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 100.131 -2.569 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 O4'-C1'-N19 111.419 3.219 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 99.668 -3.032 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 1 C4'-C3'-C2' 98.524 -4.176 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 O4'-C1'-N19 111.659 3.459 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 0 C4'-C3'-C2' 99.877 -2.823 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 0 C4'-C3'-C2' 100.166 -2.534 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 O4'-C1'-N19 111.809 3.609 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.942 3.742 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C4'-C3'-C2' 99.181 -3.519 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 O4'-C1'-N19 111.382 3.182 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.749 -2.951 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 P-O3'-C3' 123.813 3.428 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 1 P-O3'-C3' 125.066 4.472 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C3'-C2'-C1' 104.535 3.373 . 0.01 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O4'-C1'-N19 111.539 3.339 . 0.032 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 O4'-C1'-N19 110.211 2.011 . 0.518 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 C4'-C3'-C2' 98.953 -3.747 . 0.699 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 O4'-C1'-N19 112.094 3.894 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 O4'-C1'-N19 111.596 3.396 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C4'-C3'-C2' 99.656 -3.044 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 1 O4'-C1'-N19 112.44 4.24 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C3'-C2'-C1' 104.137 2.93 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.256 0 C4'-C3'-C2' 99.953 -2.747 . 0.443 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 111.111 2.911 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.024 1 O4'-C1'-N19 112.476 4.276 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 1 C4'-C3'-C2' 97.473 -5.227 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.558 0 O5'-C5'-C4' 114.816 3.297 . 0.593 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 O4'-C1'-N19 111.837 3.637 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.964 3.764 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 1 O4'-C1'-N19 112.369 4.169 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.787 -2.913 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.857 1 C5'-C4'-C3' 108.645 -4.57 . 0.924 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.303 0 C4'-C3'-C2' 100.074 -2.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C1'-O4'-C4' 106.723 -3.196 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.5 3.3 . 0.505 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.533 0 C4'-C3'-C2' 99.952 -2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 99.1 -3.6 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.317 -3.383 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 111.868 3.668 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.446 0 O4'-C1'-N19 110.804 2.604 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 C4'-C3'-C2' 99.435 -3.265 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ' U' . . . . . 0.431 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.227 1 O4'-C1'-N19 113.294 5.094 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ' C' . . . . . 0.431 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.448 1 O4'-C1'-N19 112.235 4.035 . 0.681 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 1 O4'-C1'-N19 113.366 5.166 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 C4'-C3'-C2' 99.026 -3.674 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 111.961 3.761 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 0 C4'-C3'-C2' 99.015 -3.685 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.933 -2.767 . 0.65 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C3'-C2'-C1' 104.343 3.158 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C1'-N19 111.395 3.195 . 0.34 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 1 O4'-C1'-N19 114.096 5.896 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 C4'-C3'-C2' 99.596 -3.104 . 0.119 2h . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.039 0 C4'-C3'-C2' 99.608 -3.092 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 99.374 -3.326 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.956 0 C4'-C3'-C2' 99.705 -2.995 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 100.285 -2.415 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 0 O4'-C1'-N19 111.835 3.635 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C4'-C3'-C2' 98.961 -3.739 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 O4'-C1'-N19 111.664 3.464 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 113.801 5.601 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 O4'-C4'-C3' 109.072 2.551 . 0.409 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 100.219 -2.481 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 110.771 2.571 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 C4'-C3'-C2' 99.805 -2.895 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.044 2.844 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.347 0.118 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.0 m -139.4 138.96 36.99 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.246 1.418 . . . . 0.0 110.24 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.6 13.86 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 125.031 1.332 . . . . 0.0 114.024 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.1 t -134.55 129.18 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.412 1.485 . . . . 0.0 109.87 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -67.3 159.23 29.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.031 1.333 . . . . 0.0 113.876 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.24 164.73 36.01 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.311 1.434 . . . . 0.0 112.386 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -154.66 136.27 14.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.266 1.027 . . . . 0.0 111.701 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -135.27 -0.61 2.69 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.096 1.758 . . . . 0.0 113.971 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -142.92 177.78 8.12 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.772 2.029 . . . . 0.0 110.795 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -135.22 162.67 31.88 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.323 1.449 . . . . 0.0 112.039 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -139.08 159.67 41.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.406 1.882 . . . . 0.0 110.52 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -125.58 -17.84 5.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.526 1.13 . . . . 0.0 113.369 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.68 175.47 21.97 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.917 1.246 . . . . 0.0 114.217 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.61 -7.83 0.06 OUTLIER Glycine 0 CA--C 1.542 1.731 0 C-N-CA 127.202 2.335 . . . . 0.0 114.065 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.55 158.83 43.41 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.777 2.031 . . . . 0.0 110.849 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.3 mmm-85 -141.96 -9.43 0.9 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.019 1.728 . . . . 0.0 114.631 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -117.47 13.94 14.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.188 1.395 . . . . 0.0 113.973 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 38.36 63.13 0.89 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.754 2.422 . . . . 0.0 114.005 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m 53.34 22.53 2.82 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.152 1.781 . . . . 0.0 114.501 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 54.63 35.25 23.26 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.127 1.771 . . . . 0.0 112.32 -173.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.15 163.36 6.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.873 1.269 . . . . 0.0 112.865 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' C ' ' H ' ' A' ' 24' ' ' ASP . 42.5 t0 -138.3 160.9 38.28 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.957 2.103 . . . . 0.0 107.739 175.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.5 mmt-85 -72.87 17.24 0.12 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.593 -1.317 . . . . 0.0 114.339 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 22' ' ' ASP . 36.2 t70 -122.17 4.75 9.78 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 127.981 2.512 . . . . 0.0 111.756 174.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -119.77 167.04 12.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.953 1.301 . . . . 0.0 114.173 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.3 t -100.45 125.08 46.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.401 1.88 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.46 67.99 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -80.31 -38.61 30.33 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -126.16 -6.19 6.62 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.6 mptp? 69.9 1.86 3.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.543 2.337 . . . . 0.0 115.116 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -65.71 171.42 4.25 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.14 0.882 . . . . 0.0 111.158 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -116.38 164.24 14.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.819 1.247 . . . . 0.0 113.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.36 -1.49 76.55 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.565 1.555 . . . . 0.0 114.398 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -157.38 171.33 20.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.227 1.811 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -113.72 167.22 10.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.76 1.624 . . . . 0.0 109.185 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -39.05 59.35 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.12 -13.59 12.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.204 1.802 . . . . 0.0 113.775 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -130.82 17.24 5.19 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.66 2.384 . . . . 0.0 111.834 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -57.95 127.47 79.48 Favored Pre-proline 0 CA--C 1.55 0.96 0 O-C-N 121.613 -0.679 . . . . 0.0 112.553 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.95 -14.88 39.49 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.444 2.096 . . . . 0.0 112.774 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -84.46 -13.41 52.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.795 1.238 . . . . 0.0 113.177 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -70.55 158.7 87.19 Favored Pre-proline 0 N--CA 1.478 0.93 0 CA-C-N 119.087 0.858 . . . . 0.0 112.772 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -65.24 168.11 14.95 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.098 2.532 . . . . 0.0 111.06 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.4 mtm-85 55.1 40.62 31.92 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.649 1.18 . . . . 0.0 111.904 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.02 -162.21 33.63 Favored Glycine 0 CA--C 1.542 1.775 0 C-N-CA 125.932 1.729 . . . . 0.0 114.319 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -59.56 168.89 16.81 Favored 'Cis proline' 0 CA--C 1.543 0.964 0 N-CA-C 113.989 0.727 . . . . 0.0 113.989 -26.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -140.84 163.32 33.24 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.941 2.096 . . . . 0.0 110.1 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.98 -167.19 36.17 Favored Glycine 0 CA--C 1.543 1.836 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.62 172.48 10.38 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 124.733 3.622 . . . . 0.0 114.907 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -145.46 155.68 53.45 Favored Pre-proline 0 N--CA 1.479 1.004 0 C-N-CA 127.459 2.304 . . . . 0.0 111.71 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.66 157.27 1.55 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.976 3.784 . . . . 0.0 115.705 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -143.59 155.31 44.25 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.684 1.594 . . . . 0.0 110.83 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.1 p -129.23 13.61 6.14 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.554 1.542 . . . . 0.0 114.595 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -53.77 152.68 5.17 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.134 1.774 . . . . 0.0 114.439 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.55 -1.13 4.93 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.212 1.405 . . . . 0.0 112.275 179.422 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 C4'-C3'-C2' 99.642 -3.058 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 C4'-C3'-C2' 99.238 -3.462 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 99.67 -3.03 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 1 O4'-C1'-N19 112.701 4.501 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C4'-C3'-C2' 99.372 -3.328 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C4'-C3'-C2' 98.82 -3.88 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.173 0 O4'-C1'-N19 111.548 3.348 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 0 C4'-C3'-C2' 99.822 -2.878 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 O4'-C1'-N19 110.748 2.548 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.299 0 O4'-C1'-N19 112.154 3.954 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 1 O4'-C1'-N19 112.623 4.423 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 O4'-C1'-N19 111.849 3.649 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 1 C4'-C3'-C2' 98.672 -4.028 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 1 O4'-C1'-N19 113.013 4.813 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 0 O4'-C1'-N19 111.524 3.324 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.551 -3.149 . 0.378 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 C3'-C2'-C1' 105.094 3.993 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 110.978 2.778 . 0.225 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.108 0 C4'-C3'-O3' 118.526 3.048 OUTLIER-EPSILON 0.033 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 1 P-O3'-C3' 125.635 4.946 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.7 3.5 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 99.776 -2.924 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 C4'-C3'-C2' 99.408 -3.292 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 O4'-C1'-N19 112.792 4.592 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.216 0 C3'-C2'-C1' 104.746 3.606 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.573 0 C4'-C3'-C2' 99.892 -2.808 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C4'-C3'-C2' 99.872 -2.828 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 1 O4'-C1'-N19 112.89 4.69 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 1 C4'-C3'-C2' 97.221 -5.479 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 N19-C1'-C2' 109.701 -2.312 . 0.636 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 O4'-C1'-N19 111.664 3.464 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.497 3.297 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 0 O4'-C1'-N19 112.073 3.873 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 O4'-C1'-N19 111.549 3.349 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.098 0 O4'-C1'-N19 111.894 3.694 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.317 0 C4'-C3'-C2' 100.086 -2.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 P-O3'-C3' 123.554 3.211 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 1 O4'-C1'-N19 113.064 4.864 . 0.389 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 1 O5'-C5'-C4' 115.947 4.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C4'-C3'-C2' 99.15 -3.55 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 99.46 -3.24 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.113 0 C4'-C3'-C2' 99.22 -3.48 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 C4'-C3'-C2' 100.415 -2.285 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 O4'-C1'-N19 110.856 2.656 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 1 O4'-C1'-N19 112.909 4.709 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.504 1 O4'-C1'-N19 112.232 4.032 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 1 O4'-C1'-N19 113.008 4.808 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C5'-C4'-O4' 114.084 3.489 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.334 0 C4'-C3'-C2' 98.943 -3.757 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 C4'-C3'-C2' 98.858 -3.842 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 C4'-C3'-C2' 99.658 -3.042 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C4'-C3'-C2' 99.707 -2.993 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.582 3.382 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 2 O4'-C1'-N19 115.787 7.587 . 0.108 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 C5'-C4'-O4' 113.333 2.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C4'-C3'-C2' 98.869 -3.831 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.019 0 O4'-C1'-N19 111.488 3.288 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.024 0 C4'-C3'-C2' 99.377 -3.323 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 110.9 2.7 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.124 0 O4'-C1'-N19 111.89 3.69 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 99.914 -2.786 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 C4'-C3'-C2' 98.879 -3.821 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 2 O4'-C1'-N19 115.164 6.964 OUTLIER-DELTA 0.389 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 O4'-C1'-N19 110.594 2.394 . 0.191 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 99.79 -2.91 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.578 3.378 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.072 0 O4'-C1'-N19 111.571 3.371 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 O4'-C1'-N19 111.693 3.493 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.495 0.188 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.8 t -150.27 171.19 17.35 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.928 1.291 . . . . 0.0 111.638 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.35 144.71 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.914 1.685 . . . . 0.0 111.179 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.2 m -128.92 8.98 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 125.394 1.478 . . . . 0.0 113.871 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -138.43 29.59 2.42 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.056 1.742 . . . . 0.0 111.735 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -172.87 179.57 44.24 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.953 1.74 . . . . 0.0 112.51 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -113.83 -5.11 13.26 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.713 1.205 . . . . 0.0 113.892 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -150.37 153.65 36.39 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.229 1.412 . . . . 0.0 111.084 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -153.03 -42.85 0.1 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.005 1.722 . . . . 0.0 110.801 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -152.14 159.41 43.63 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.837 2.055 . . . . 0.0 109.059 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -56.05 137.68 50.71 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -124.09 -11.82 7.5 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.892 1.677 . . . . 0.0 113.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.04 -22.26 78.44 Favored Glycine 0 CA--C 1.54 1.602 0 CA-C-N 119.122 0.874 . . . . 0.0 115.268 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.73 -176.51 41.19 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.712 1.625 . . . . 0.0 112.074 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -150.06 -41.56 0.13 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -151.88 144.12 23.99 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.458 1.503 . . . . 0.0 110.416 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -58.37 -16.3 14.06 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 177.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -120.67 13.35 11.61 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.287 2.235 . . . . 0.0 112.345 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.8 t -51.25 112.58 0.76 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.164 1.386 . . . . 0.0 111.991 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 50.62 27.97 3.24 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.367 1.867 . . . . 0.0 114.748 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.44 133.84 45.06 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.702 1.201 . . . . 0.0 109.635 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 24' ' ' ASP . 34.3 t0 -134.19 156.55 48.16 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.111 1.365 . . . . 0.0 110.505 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -67.66 14.88 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 128.197 2.599 . . . . 0.0 114.764 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 22' ' ' ASP . 29.0 t70 -125.43 3.6 7.69 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.574 1.949 . . . . 0.0 112.914 175.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -105.79 167.11 10.0 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.601 1.16 . . . . 0.0 113.047 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -99.32 119.31 37.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.801 1.24 . . . . 0.0 111.488 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -26.38 68.61 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -83.85 -43.61 15.17 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.88 -3.45 11.19 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm 69.54 6.95 5.97 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.6 1.96 . . . . 0.0 115.008 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.51 173.39 3.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.27 0.941 . . . . 0.0 111.521 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -126.64 139.51 53.11 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 111.188 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.07 -8.96 23.08 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.935 1.731 . . . . 0.0 114.109 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -152.1 171.07 18.45 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.556 1.942 . . . . 0.0 110.706 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -113.14 167.25 10.7 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.678 1.591 . . . . 0.0 110.618 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.91 -41.0 64.0 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 112.781 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -62.21 -6.13 2.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.693 1.997 . . . . 0.0 114.146 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -135.34 11.26 3.51 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.547 2.339 . . . . 0.0 111.921 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.57 129.87 81.09 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.907 1.283 . . . . 0.0 114.084 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.68 -9.51 26.33 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.574 2.849 . . . . 0.0 113.61 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -113.06 8.85 18.51 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.594 1.158 . . . . 0.0 113.85 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -108.27 134.31 20.24 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 123.865 0.866 . . . . 0.0 110.522 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.12 -23.25 76.91 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.914 2.409 . . . . 0.0 114.438 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -100.01 16.88 22.53 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.263 1.425 . . . . 0.0 113.952 177.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.4 -36.2 34.97 Favored Glycine 0 CA--C 1.544 1.889 0 C-N-CA 126.631 2.062 . . . . 0.0 114.377 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -56.07 165.23 4.16 Favored 'Trans proline' 0 C--N 1.355 0.893 0 CA-C-N 120.028 1.914 . . . . 0.0 113.385 -30.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 149.38 35.53 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.231 1.012 . . . . 0.0 111.723 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.49 58.65 0.17 Allowed Glycine 0 CA--C 1.536 1.402 0 CA-C-O 118.573 -1.126 . . . . 0.0 115.056 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.22 157.46 61.73 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.922 2.415 . . . . 0.0 111.486 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -148.36 135.35 10.41 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 124.692 1.197 . . . . 0.0 111.579 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.3 161.16 45.2 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.08 2.52 . . . . 0.0 111.998 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -153.66 164.73 37.79 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.885 1.274 . . . . 0.0 112.32 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.8 p -142.64 156.19 45.03 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.967 1.707 . . . . 0.0 111.052 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -157.4 172.29 18.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.892 1.277 . . . . 0.0 111.638 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.67 158.83 33.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.078 1.351 . . . . 0.0 112.333 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.472 0.649 0 C-N-CA 125.208 1.403 . . . . 0.0 110.703 179.438 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.204 0 C4'-C3'-C2' 99.676 -3.024 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C4'-C3'-C2' 99.341 -3.359 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C4'-C3'-C2' 99.494 -3.206 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 1 O4'-C1'-N19 112.618 4.418 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C5'-C4'-O4' 113.316 2.94 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C4'-C3'-C2' 99.034 -3.666 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.217 0 C4'-C3'-C2' 99.24 -3.46 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 O4'-C1'-N19 111.277 3.077 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.226 0 C5'-C4'-O4' 112.562 2.402 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.157 0 O4'-C1'-N19 112.017 3.817 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 1 O4'-C1'-N19 112.605 4.405 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.208 0 O4'-C1'-N19 111.65 3.45 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C4'-C3'-C2' 98.832 -3.868 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.85 2 O4'-C1'-N19 112.973 4.773 . 0.605 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.733 0 C3'-C2'-C1' 104.885 3.761 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.763 -2.937 . 0.013 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 N19-C1'-C2' 119.21 3.631 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 O4'-C1'-N19 111.685 3.485 . 0.114 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.152 0 P-O3'-C3' 123.059 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C4'-C3'-C2' 100.274 -2.426 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 O4'-C1'-N19 111.712 3.512 . 0.593 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 C4'-C3'-C2' 99.415 -3.285 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.283 -3.417 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 1 O4'-C1'-N19 112.86 4.66 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.138 0 C3'-C2'-C1' 104.049 2.833 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.259 0 O4'-C1'-N19 111.523 3.323 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.173 0 C4'-C3'-C2' 99.944 -2.756 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.986 1 O4'-C1'-N19 112.29 4.09 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 1 C4'-C3'-C2' 96.976 -5.724 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C4'-C3'-C2' 100.117 -2.583 . 0.532 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.813 3.613 . 0.505 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.681 3.481 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.97 0 O4'-C1'-N19 112.084 3.884 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C4'-C3'-C2' 99.739 -2.961 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.783 1 C5'-C4'-C3' 108.519 -4.654 . 0.932 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 1 C5'-C4'-C3' 109.189 -4.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.637 0 O5'-C5'-C4' 113.346 2.247 . 0.571 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 P-O3'-C3' 123.041 2.784 . 0.746 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 100.141 -2.559 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 99.109 -3.591 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 99.287 -3.413 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 C4'-C3'-C2' 99.102 -3.598 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.196 0 C4'-C3'-C2' 100.242 -2.458 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.071 2.871 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.114 1 O4'-C1'-N19 113.095 4.895 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.449 0 O4'-C1'-N19 112.164 3.964 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 1 O4'-C1'-N19 113.252 5.052 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' ' U' . . . . . 0.404 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C5'-C4'-O4' 113.705 3.218 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' ' U' . . . . . 0.404 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O4'-C1'-N19 111.958 3.758 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 O4'-C1'-N19 112.262 4.062 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.172 -3.528 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 99.273 -3.427 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.57 3.37 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 N19-C1'-C2' 118.339 3.087 . 0.284 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 0 C5'-C4'-O4' 113.318 2.941 . 0.025 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 C4'-C3'-C2' 99.072 -3.628 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 O4'-C1'-N19 111.275 3.075 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C4'-C3'-C2' 99.371 -3.329 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 O4'-C1'-N19 110.79 2.59 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.149 0 O4'-C1'-N19 111.69 3.49 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C4'-C3'-C2' 100.145 -2.555 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O4'-C1'-N19 110.702 2.502 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 O4'-C1'-N19 112.058 3.858 . 0.556 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.491 0 O5'-C5'-C4' 114.551 3.108 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 100.148 -2.552 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 O4'-C1'-N19 111.946 3.746 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 O4'-C1'-N19 111.954 3.754 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 O4'-C1'-N19 111.765 3.565 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.537 0.208 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.1 p -140.75 167.12 22.93 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.844 1.658 . . . . 0.0 111.623 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.92 162.71 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.872 1.669 . . . . 0.0 111.451 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -151.52 150.88 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.011 1.324 . . . . 0.0 111.385 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -155.95 157.12 35.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.91 1.684 . . . . 0.0 110.741 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.19 -171.18 41.85 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.931 1.253 . . . . 0.0 112.924 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -141.12 142.38 34.1 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.324 1.449 . . . . 0.0 110.177 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.6 tttp 48.26 40.29 13.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.001 2.12 . . . . 0.0 113.952 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -78.76 -27.65 44.69 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.99 1.716 . . . . 0.0 109.461 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -143.78 -177.04 5.22 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 127.196 2.198 . . . . 0.0 110.153 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -143.71 -15.8 0.63 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.071 1.748 . . . . 0.0 113.937 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -132.58 165.11 25.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -176.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.01 -173.26 39.19 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 126.0 1.762 . . . . 0.0 112.227 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.73 23.49 2.5 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.767 1.175 . . . . 0.0 115.151 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -137.47 151.15 48.17 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.224 1.409 . . . . 0.0 111.105 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.63 162.73 29.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.036 1.734 . . . . 0.0 111.936 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -149.44 -179.07 6.79 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.505 1.922 . . . . 0.0 110.422 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -4.16 15.58 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.99 -1.069 . . . . 0.0 113.706 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 t -48.28 133.56 15.58 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.145 1.378 . . . . 0.0 110.018 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.256 23.4 tt0 61.39 30.34 18.92 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.15 156.13 4.28 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.836 0.854 . . . . 0.0 111.498 173.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 24' ' ' ASP . 22.5 t0 -147.21 147.01 30.02 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.438 1.495 . . . . 0.0 108.091 174.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -69.78 14.8 0.09 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.847 2.059 . . . . 0.0 114.68 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 22' ' ' ASP . 29.7 t70 -127.12 -1.46 6.44 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.856 2.063 . . . . 0.0 113.024 175.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -85.59 169.34 13.63 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.198 0.999 . . . . 0.0 112.003 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.4 t -103.94 118.0 35.65 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.514 1.526 . . . . 0.0 109.985 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -8.73 33.86 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -102.95 -37.63 7.72 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -6.59 9.53 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.272 7.3 ttmm 69.95 9.24 7.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.736 2.014 . . . . 0.0 115.569 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.4 174.05 2.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -132.33 137.84 47.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.576 1.15 . . . . 0.0 111.027 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.87 -9.84 11.32 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.037 1.78 . . . . 0.0 113.32 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -151.8 161.0 43.37 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.815 2.046 . . . . 0.0 110.398 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -98.97 164.45 12.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.748 1.219 . . . . 0.0 110.072 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.07 -35.35 61.96 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.5 -0.75 . . . . 0.0 112.987 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -62.39 -9.49 8.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.876 2.07 . . . . 0.0 112.951 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.58 16.93 3.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.456 2.703 . . . . 0.0 111.841 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t -58.38 122.52 60.34 Favored Pre-proline 0 CA--C 1.55 0.942 0 O-C-N 120.826 -1.171 . . . . 0.0 112.478 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.25 -11.51 30.32 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.609 2.206 . . . . 0.0 113.101 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -90.34 -18.64 25.17 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.559 1.544 . . . . 0.0 112.905 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -66.27 152.66 93.89 Favored Pre-proline 0 N--CA 1.481 1.092 0 CA-C-N 119.669 1.122 . . . . 0.0 113.956 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -81.11 -12.61 11.72 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.681 2.921 . . . . 0.0 114.26 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -146.49 155.65 42.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.034 1.733 . . . . 0.0 111.091 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.22 -29.84 0.03 OUTLIER Glycine 0 CA--C 1.545 1.924 0 CA-C-O 116.541 -2.255 . . . . 0.0 117.158 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -52.25 102.14 0.03 OUTLIER 'Cis proline' 0 C--N 1.357 1.016 0 CA-C-N 121.45 2.625 . . . . 0.0 113.385 -29.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -162.96 149.16 12.28 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.02 2.528 . . . . 0.0 108.555 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.54 177.09 40.39 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 114.526 0.57 . . . . 0.0 114.526 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -79.7 26.88 0.55 Allowed 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 124.761 3.641 . . . . 0.0 115.035 -176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.89 70.56 19.15 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 126.763 2.025 . . . . 0.0 111.591 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.78 162.61 29.61 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.556 2.838 . . . . 0.0 112.525 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.46 -32.91 74.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.742 0.817 . . . . 0.0 112.334 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 t -157.65 -38.45 0.07 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.231 1.413 . . . . 0.0 112.598 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -155.74 164.06 39.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 111.199 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 tp -126.28 6.54 7.07 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.093 1.757 . . . . 0.0 112.457 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 CA--C 1.54 0.559 0 C-N-CA 125.596 1.558 . . . . 0.0 111.474 -179.589 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.197 0 C4'-C3'-C2' 99.647 -3.053 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 C4'-C3'-C2' 99.183 -3.517 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C4'-C3'-C2' 99.934 -2.766 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 1 O4'-C1'-N19 112.261 4.061 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 C4'-C3'-C2' 99.609 -3.091 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 C4'-C3'-C2' 98.896 -3.804 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.153 0 C4'-C3'-C2' 99.369 -3.331 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 O4'-C1'-N19 111.183 2.983 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.147 0 C4'-C3'-C2' 100.342 -2.358 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.256 0 O4'-C1'-N19 112.02 3.82 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.034 1 O4'-C1'-N19 112.258 4.058 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 111.372 3.172 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 0 C4'-C3'-C2' 99.179 -3.521 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 1 C4'-C3'-C2' 98.113 -4.587 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 1 C3'-C2'-C1' 105.771 4.745 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 O4'-C1'-N19 111.975 3.775 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 1 O4'-C1'-N19 112.397 4.197 . 0.174 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 O4'-C1'-N19 110.9 2.7 . 0.103 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.461 3.261 . 0.197 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 C4'-C3'-C2' 99.131 -3.569 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 O4'-C1'-N19 112.206 4.006 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.446 -3.254 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 99.262 -3.438 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 O4'-C1'-N19 112.595 4.395 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C3'-C2'-C1' 103.731 2.479 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 0 C4'-C3'-C2' 99.734 -2.966 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 100.138 -2.562 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 O4'-C1'-N19 111.711 3.511 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 C4'-C3'-C2' 97.385 -5.315 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.196 0 O5'-C5'-C4' 114.244 2.889 . 0.65 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 111.526 3.326 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.222 3.022 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 111.586 3.386 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 100.126 -2.574 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 O4'-C1'-N19 112.022 3.822 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.326 0 C5'-C4'-C3' 111.093 -2.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 O4'-C4'-C3' 108.878 2.413 . 0.446 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.61 0 O4'-C1'-N19 111.815 3.615 . 0.418 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.904 0 C4'-C3'-C2' 99.077 -3.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 C4'-C3'-C2' 98.999 -3.701 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.024 0 C4'-C3'-C2' 99.344 -3.356 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.344 -3.356 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.43 0 C5'-C4'-O4' 112.61 2.436 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 99.4 -3.3 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 1 O4'-C1'-N19 113.307 5.107 . 0.715 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.498 1 O4'-C1'-N19 112.254 4.054 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 1 O4'-C1'-N19 113.131 4.931 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' ' U' . . . . . 0.426 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 99.185 -3.515 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' ' U' . . . . . 0.426 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.389 1 O4'-C1'-N19 112.215 4.015 . 0.61 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 112.419 4.219 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C4'-C3'-C2' 100.05 -2.65 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 110.753 2.553 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 111.315 3.115 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 99.141 -3.559 . 0.017 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 98.816 -3.884 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.988 0 C4'-C3'-C2' 99.292 -3.408 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C4'-C3'-C2' 99.523 -3.177 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 C4'-C3'-C2' 99.586 -3.114 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.985 0 O4'-C1'-N19 110.901 2.701 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.161 0 O4'-C1'-N19 111.975 3.775 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.216 0 C4'-C3'-C2' 99.835 -2.865 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 C4'-C3'-C2' 99.91 -2.79 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 O4'-C1'-N19 111.786 3.586 . 0.167 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.846 0 C4'-C3'-C2' 99.928 -2.772 . 0.396 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.56 -3.14 . 0.573 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 111.688 3.488 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 99.331 -3.369 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 O4'-C1'-N19 111.661 3.461 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 120.35 0.119 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.7 m -145.49 146.12 31.34 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.992 1.317 . . . . 0.0 110.568 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -139.74 164.22 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.979 1.711 . . . . 0.0 111.356 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 p -149.98 148.51 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.24 1.416 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -127.34 10.8 6.83 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.917 1.287 . . . . 0.0 114.46 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.55 21.5 2.89 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.359 1.457 . . . . 0.0 114.527 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -139.74 5.54 2.19 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.242 1.417 . . . . 0.0 113.272 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -129.74 8.69 5.35 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.603 1.561 . . . . 0.0 114.585 -177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 47.91 46.21 18.85 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.109 1.763 . . . . 0.0 114.017 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -141.16 152.21 44.49 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.024 1.33 . . . . 0.0 112.391 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.1 ttt-85 -149.88 154.79 38.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.613 1.965 . . . . 0.0 111.289 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.66 157.09 29.19 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.64 1.576 . . . . 0.0 109.661 171.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.73 176.48 48.01 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.452 0.548 . . . . 0.0 113.263 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.2 -162.22 29.72 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.422 1.487 . . . . 0.0 111.161 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.14 107.5 5.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.787 0.835 . . . . 0.0 110.114 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -143.07 30.03 1.45 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.195 2.198 . . . . 0.0 111.802 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -148.92 -3.73 0.44 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.1 ttm105 -137.9 -5.46 1.71 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.311 1.845 . . . . 0.0 113.284 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.9 p -50.26 -23.74 2.45 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.809 2.444 . . . . 0.0 116.481 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -126.51 32.33 5.19 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.474 1.51 . . . . 0.0 111.956 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -119.08 119.07 33.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.267 1.427 . . . . 0.0 109.746 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -137.96 162.86 32.96 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.336 1.854 . . . . 0.0 108.282 176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.02 -1.62 1.58 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.691 1.997 . . . . 0.0 116.042 -172.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -117.3 13.49 14.59 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.397 1.879 . . . . 0.0 112.998 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -132.64 162.29 31.74 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.674 1.19 . . . . 0.0 113.52 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.5 t -83.05 125.06 31.04 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.841 1.256 . . . . 0.0 113.779 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.65 66.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.267 -0.896 . . . . 0.0 113.362 175.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -87.37 -57.8 2.82 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.216 0.916 . . . . 0.0 112.909 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.6 -6.92 21.18 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 67.71 6.31 4.96 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.544 1.937 . . . . 0.0 114.73 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.91 158.18 36.0 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 110.722 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -94.39 162.36 13.86 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.32 82.06 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.612 1.577 . . . . 0.0 116.437 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -155.33 175.62 13.62 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.794 1.297 . . . . 0.0 112.116 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -117.48 159.71 22.39 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.508 1.923 . . . . 0.0 108.76 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.17 -34.93 33.66 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.61 -20.54 21.57 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.392 1.477 . . . . 0.0 113.834 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.53 18.6 6.87 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.982 2.113 . . . . 0.0 112.694 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.64 124.39 26.0 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -71.65 -12.63 29.24 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.927 2.418 . . . . 0.0 114.56 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -99.12 -2.32 37.28 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -72.13 155.01 92.14 Favored Pre-proline 0 N--CA 1.477 0.909 0 CA-C-N 119.062 0.846 . . . . 0.0 111.938 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.83 -9.9 27.08 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 123.562 2.842 . . . . 0.0 113.795 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -133.36 42.55 3.0 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.097 2.159 . . . . 0.0 112.369 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.26 172.54 30.81 Favored Glycine 0 CA--C 1.544 1.87 0 C-N-CA 125.746 1.641 . . . . 0.0 112.636 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -62.86 168.61 30.51 Favored 'Cis proline' 0 CA--C 1.544 1.019 0 CA-C-N 118.371 1.086 . . . . 0.0 112.449 -27.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -84.56 22.95 1.2 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.529 1.531 . . . . 0.0 115.006 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.45 177.18 21.77 Favored Glycine 0 CA--C 1.544 1.867 0 C-N-CA 126.066 1.793 . . . . 0.0 114.637 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -81.83 28.65 0.55 Allowed 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 124.919 3.746 . . . . 0.0 114.403 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -147.74 156.66 44.73 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 127.344 2.258 . . . . 0.0 111.487 -178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.4 -14.36 33.99 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.139 2.559 . . . . 0.0 113.796 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -148.76 147.47 28.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.034 1.734 . . . . 0.0 110.205 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.4 p -140.87 166.19 25.46 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.06 1.744 . . . . 0.0 111.189 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 m -144.73 157.35 44.22 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.061 1.344 . . . . 0.0 111.836 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.81 3.78 5.42 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.218 1.407 . . . . 0.0 113.852 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 124.91 1.284 . . . . 0.0 111.516 179.699 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 C4'-C3'-C2' 99.555 -3.145 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 0 C4'-C3'-C2' 99.55 -3.15 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 99.563 -3.137 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 1 O4'-C1'-N19 112.412 4.212 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C4'-C3'-C2' 99.486 -3.214 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.131 0 C4'-C3'-C2' 99.057 -3.643 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C4'-C3'-C2' 99.447 -3.253 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.639 -3.061 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 110.823 2.623 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 0 O4'-C1'-N19 112.085 3.885 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 1 O4'-C1'-N19 112.795 4.595 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.27 0 O4'-C1'-N19 112.103 3.903 . 0.594 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 98.813 -3.887 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.969 2 C4'-C3'-C2' 98.332 -4.368 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 1 C3'-C2'-C1' 105.179 4.088 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 110.655 2.455 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 C3'-C2'-C1' 104.849 3.721 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C4'-C3'-C2' 99.697 -3.003 . 0.293 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 0 C5'-C4'-C3' 110.552 -3.298 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 C5'-C4'-O4' 113.693 3.209 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.995 3.795 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 99.157 -3.543 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C4'-C3'-C2' 99.232 -3.468 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 1 O4'-C1'-N19 112.723 4.523 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.129 0 O4'-C1'-N19 110.704 2.504 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.124 0 C4'-C3'-C2' 99.694 -3.006 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.026 0 C4'-C3'-C2' 100.012 -2.688 . 0.63 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 1 O4'-C1'-N19 112.362 4.162 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 C4'-C3'-C2' 97.708 -4.992 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.552 0 O5'-C5'-C4' 114.626 3.162 . 0.638 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 O4'-C1'-N19 111.658 3.458 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 O4'-C1'-N19 111.448 3.248 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 O4'-C1'-N19 111.852 3.652 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 C4'-C3'-C2' 100.12 -2.58 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 1 O4'-C1'-N19 112.207 4.007 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 C5'-C4'-C3' 110.783 -3.145 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 O4'-C4'-C3' 109.066 2.547 . 0.438 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.555 1 O4'-C1'-N19 112.217 4.017 . 0.456 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 1 C4'-C3'-C2' 98.273 -4.427 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 C4'-C3'-C2' 99.092 -3.608 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 99.488 -3.212 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 C4'-C3'-C2' 99.181 -3.519 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.405 0 O4'-C1'-N19 110.78 2.58 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 99.518 -3.182 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ' U' . . . . . 0.409 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.242 1 O4'-C1'-N19 113.219 5.019 . 0.747 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ' C' . . . . . 0.409 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.433 1 O4'-C1'-N19 112.355 4.155 . 0.593 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 O4'-C1'-N19 113.275 5.075 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' ' U' . . . . . 0.421 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 C4'-C3'-C2' 99.462 -3.238 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' ' U' . . . . . 0.421 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 112.102 3.902 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.926 3.726 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C4'-C3'-C2' 99.625 -3.075 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C4'-C3'-C2' 99.067 -3.633 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 1 O4'-C1'-N19 112.342 4.142 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 2 O4'-C1'-N19 114.677 6.477 . 0.024 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.917 0 C4'-C3'-C2' 98.724 -3.976 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.181 -3.519 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.918 0 O4'-C1'-N19 111.464 3.264 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.036 0 C4'-C3'-C2' 99.412 -3.288 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 110.916 2.716 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.22 0 O4'-C1'-N19 111.573 3.373 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 C4'-C3'-C2' 99.79 -2.91 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.426 3.226 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 1 O4'-C1'-N19 113.196 4.996 OUTLIER-DELTA 0.01 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C3'-C2'-C1' 103.906 2.673 . 0.022 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 O4'-C1'-N19 110.663 2.463 . 0.763 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.047 0 O4'-C1'-N19 111.688 3.488 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.41 -3.29 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 111.715 3.515 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.386 0.136 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.5 p -141.48 164.95 28.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.573 1.549 . . . . 0.0 111.85 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.78 150.42 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.449 1.499 . . . . 0.0 111.192 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.1 t -139.68 32.62 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.65 1.58 . . . . 0.0 110.253 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m 54.92 25.35 6.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.215 1.806 . . . . 0.0 114.87 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.55 29.15 0.22 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.51 1.052 . . . . 0.0 115.366 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -148.2 162.35 39.64 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.932 1.293 . . . . 0.0 112.133 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -148.28 174.96 11.48 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.817 1.647 . . . . 0.0 112.523 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -126.59 4.0 6.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.123 1.369 . . . . 0.0 113.338 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.8 -26.7 36.48 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.089 1.356 . . . . 0.0 113.969 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -64.71 -18.69 65.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.641 1.576 . . . . 0.0 112.625 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -116.54 -35.95 4.1 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.261 1.824 . . . . 0.0 113.198 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.31 -179.18 45.82 Favored Glycine 0 CA--C 1.536 1.366 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.96 172.31 43.86 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.778 1.656 . . . . 0.0 112.921 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -142.74 10.65 1.81 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.553 1.141 . . . . 0.0 113.632 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.95 179.73 7.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.508 1.523 . . . . 0.0 111.838 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -128.74 163.09 25.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.63 1.972 . . . . 0.0 111.63 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 57.63 23.37 9.29 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.528 1.931 . . . . 0.0 114.735 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -48.65 -28.24 3.38 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.593 1.957 . . . . 0.0 115.511 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -133.37 36.63 3.39 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.31 1.444 . . . . 0.0 111.293 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -142.65 93.32 2.51 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.526 1.13 . . . . 0.0 112.087 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -98.36 169.59 9.45 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.986 1.315 . . . . 0.0 110.579 175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -61.61 -9.05 5.19 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -176.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -103.58 2.88 33.97 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.525 1.53 . . . . 0.0 113.798 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -112.94 172.57 6.85 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.14 122.9 42.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.484 1.914 . . . . 0.0 110.883 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.17 -19.26 65.89 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -88.66 -42.13 12.19 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.63 -5.03 9.75 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.284 13.4 mptt 68.21 4.39 4.13 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.307 2.243 . . . . 0.0 115.247 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.59 172.76 3.15 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.222 0.919 . . . . 0.0 110.565 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -119.65 159.69 23.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.47 1.108 . . . . 0.0 113.837 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.18 -4.56 65.04 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.37 1.462 . . . . 0.0 114.758 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -153.41 169.64 22.64 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.324 1.849 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -111.27 163.45 13.93 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.794 1.638 . . . . 0.0 109.748 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -37.59 55.02 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -56.87 -18.59 13.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.936 1.695 . . . . 0.0 113.632 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.32 17.27 5.46 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.258 2.223 . . . . 0.0 112.964 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -52.0 125.16 31.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 123.697 0.799 . . . . 0.0 113.131 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.66 -12.89 29.51 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.806 2.337 . . . . 0.0 113.334 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -81.67 -19.79 40.9 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.271 1.028 . . . . 0.0 112.0 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.51 155.03 94.02 Favored Pre-proline 0 N--CA 1.476 0.838 0 CA-C-N 118.686 0.676 . . . . 0.0 112.569 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -71.48 4.43 2.97 Favored 'Trans proline' 0 CA--C 1.548 1.181 0 C-N-CA 123.98 3.12 . . . . 0.0 114.563 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -128.52 30.93 5.08 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.646 1.978 . . . . 0.0 114.024 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.5 173.88 43.2 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 125.236 1.398 . . . . 0.0 113.475 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -59.16 169.81 13.86 Favored 'Cis proline' 0 CA--C 1.545 1.074 0 CA-C-N 118.021 0.91 . . . . 0.0 112.659 -29.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 58.31 -165.84 0.17 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.58 1.552 . . . . 0.0 112.409 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.57 170.02 34.01 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.461 1.029 . . . . 0.0 114.009 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -77.57 48.61 2.64 Favored 'Trans proline' 0 CA--C 1.548 1.178 1 C-N-CA 125.609 4.206 . . . . 0.0 113.592 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -138.45 150.62 66.99 Favored Pre-proline 0 N--CA 1.479 1.022 0 C-N-CA 125.677 1.591 . . . . 0.0 112.023 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.49 170.64 17.99 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.49 2.793 . . . . 0.0 112.623 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -144.54 153.62 42.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.366 1.466 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.8 p -66.69 -12.3 57.84 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.501 1.521 . . . . 0.0 115.004 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 t -150.21 165.33 33.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.082 1.753 . . . . 0.0 110.732 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -148.48 175.27 11.28 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.556 1.542 . . . . 0.0 112.704 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 126.08 1.752 . . . . 0.0 111.096 -179.571 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.137 0 C4'-C3'-C2' 99.516 -3.184 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 C4'-C3'-C2' 99.576 -3.124 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 99.52 -3.18 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 1 O4'-C1'-N19 112.216 4.016 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 99.478 -3.222 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 C4'-C3'-C2' 98.892 -3.808 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.081 0 C4'-C3'-C2' 99.317 -3.383 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.011 2.811 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 110.018 -3.655 . 0.522 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 O4'-C1'-N19 112.158 3.958 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.901 1 O4'-C1'-N19 112.865 4.665 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.284 0 O4'-C1'-N19 111.953 3.753 . 0.596 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.079 -3.621 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.092 1 O4'-C1'-N19 112.248 4.048 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C3'-C2'-C1' 104.518 3.354 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C3'-C2'-C1' 103.439 2.154 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 1 O4'-C1'-N19 112.324 4.124 OUTLIER-DELTA 0.01 3g . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 O4'-C1'-N19 112.061 3.861 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.442 0 O4'-C1'-N19 111.307 3.107 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C5'-C4'-O4' 113.359 2.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.994 3.794 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C4'-C3'-C2' 99.619 -3.081 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C4'-C3'-C2' 99.492 -3.208 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 1 O4'-C1'-N19 112.671 4.471 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C3'-C2'-C1' 103.782 2.536 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-C2' 99.943 -2.757 . 0.498 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.205 0 O4'-C1'-N19 110.786 2.586 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 111.964 3.764 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 C4'-C3'-C2' 97.339 -5.361 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.463 0 O5'-C5'-C4' 114.544 3.103 . 0.602 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 O4'-C1'-N19 111.881 3.681 . 0.537 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 111.965 3.765 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 1 O4'-C1'-N19 112.441 4.241 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.113 0 O4'-C1'-N19 111.46 3.26 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.015 2 C4'-C3'-C2' 98.56 -4.14 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.326 0 C5'-C4'-C3' 110.067 -3.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.553 0 O5'-C5'-C4' 113.633 2.452 . 0.701 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C3'-C2'-C1' 103.764 2.516 . 0.904 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 100.188 -2.512 . 0.04 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 98.926 -3.774 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C4'-C3'-C2' 99.208 -3.492 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.339 -3.361 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.399 0 C5'-C4'-O4' 112.645 2.46 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.278 -3.422 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ' U' . . . . . 0.405 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 113.345 5.145 . 0.731 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ' C' . . . . . 0.405 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.478 1 O4'-C1'-N19 112.281 4.081 . 0.676 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 1 O4'-C1'-N19 113.223 5.023 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' ' U' . . . . . 0.4 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C4'-C3'-C2' 99.237 -3.463 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' ' U' . . . . . 0.4 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 O4'-C1'-N19 112.203 4.003 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 O4'-C1'-N19 111.977 3.777 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.413 -3.287 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 O4'-C1'-N19 110.733 2.533 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 103.952 2.724 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.586 2 O4'-C1'-N19 115.806 7.606 OUTLIER-DELTA 0.089 3b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.971 0 O4'-C1'-N19 111.115 2.915 . 0.019 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C4'-C3'-C2' 99.093 -3.607 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 O4'-C1'-N19 111.257 3.057 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.382 -3.318 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 O4'-C1'-N19 110.934 2.734 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.112 0 O4'-C1'-N19 111.863 3.663 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C4'-C3'-C2' 99.657 -3.043 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 O4'-C1'-N19 111.273 3.073 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 O4'-C1'-N19 112.15 3.95 . 0.104 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.991 -2.709 . 0.355 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 100.049 -2.651 . 0.767 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.106 0 O4'-C1'-N19 112.011 3.811 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 111.792 3.592 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.87 3.67 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 111.256 0.095 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.5 p -126.85 -3.64 6.48 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.095 1.358 . . . . 0.0 114.501 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.2 m -141.83 166.93 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.215 1.806 . . . . 0.0 111.136 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.7 t -120.79 30.28 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 124.808 1.243 . . . . 0.0 111.731 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -62.37 154.12 29.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.85 1.66 . . . . 0.0 113.46 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.57 -17.44 0.13 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -138.79 173.42 11.59 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.395 1.478 . . . . 0.0 111.77 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -138.85 165.08 27.98 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.076 1.75 . . . . 0.0 111.752 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -133.73 175.32 9.56 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.769 1.628 . . . . 0.0 112.161 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -146.57 164.87 31.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.877 1.671 . . . . 0.0 112.006 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -150.66 156.87 42.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.191 1.396 . . . . 0.0 112.719 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -135.67 3.45 3.01 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.293 1.437 . . . . 0.0 113.511 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.97 -165.63 35.28 Favored Glycine 0 CA--C 1.535 1.286 0 O-C-N 120.965 -1.084 . . . . 0.0 113.987 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.45 -176.24 33.33 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.537 1.542 . . . . 0.0 112.981 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -124.75 5.05 8.14 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.733 1.213 . . . . 0.0 113.645 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -150.84 159.17 44.72 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.269 1.428 . . . . 0.0 111.505 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -138.5 172.51 12.78 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.234 2.213 . . . . 0.0 110.411 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -76.05 36.52 0.14 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 126.391 1.876 . . . . 0.0 112.924 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.0 m -47.01 107.93 0.13 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.126 2.17 . . . . 0.0 112.71 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 51.71 32.7 9.77 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.271 1.828 . . . . 0.0 114.551 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 tt -65.77 111.24 3.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.692 0.797 . . . . 0.0 109.596 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -139.84 151.2 45.5 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.021 2.128 . . . . 0.0 108.517 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mmt-85 -66.36 2.18 1.34 Allowed 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -113.9 9.72 17.55 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.794 1.638 . . . . 0.0 112.345 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -128.4 164.16 23.3 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.905 1.282 . . . . 0.0 114.219 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.57 123.45 35.87 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 113.987 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.99 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -92.92 -41.1 10.23 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -121.96 -4.67 9.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.285 13.7 mptt 65.89 13.52 9.07 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 114.863 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.38 174.32 5.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.179 -0.951 . . . . 0.0 111.021 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 155.13 28.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.5 1.52 . . . . 0.0 112.968 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.98 -3.87 70.82 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.411 1.482 . . . . 0.0 115.547 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -153.43 175.49 13.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.505 1.522 . . . . 0.0 111.616 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -117.71 164.27 15.24 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.445 1.898 . . . . 0.0 109.622 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.2 57.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.064 0.946 . . . . 0.0 112.705 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -54.18 -18.34 3.72 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.116 2.167 . . . . 0.0 113.976 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -133.3 15.34 4.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.333 2.253 . . . . 0.0 113.231 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.8 122.97 36.84 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.664 1.186 . . . . 0.0 113.702 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.37 -14.69 31.2 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.836 2.358 . . . . 0.0 112.857 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -82.95 -12.65 57.14 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.951 1.3 . . . . 0.0 112.647 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -61.73 147.4 89.11 Favored Pre-proline 0 N--CA 1.48 1.05 0 CA-C-N 119.409 1.004 . . . . 0.0 112.866 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.05 148.11 9.94 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.529 3.486 . . . . 0.0 115.226 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -148.8 151.74 35.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.149 1.78 . . . . 0.0 110.33 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.38 168.71 53.17 Favored Glycine 0 CA--C 1.544 1.887 0 C-N-CA 123.576 0.608 . . . . 0.0 113.803 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.35 166.86 54.11 Favored 'Cis proline' 0 CA--C 1.542 0.887 0 CA-C-N 117.911 0.856 . . . . 0.0 112.886 26.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -138.1 165.65 26.09 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.871 1.668 . . . . 0.0 111.616 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.44 176.08 47.71 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.995 1.283 . . . . 0.0 113.036 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -74.18 67.42 5.17 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 125.183 3.922 . . . . 0.0 112.44 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -135.53 147.97 63.87 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 125.919 1.687 . . . . 0.0 111.562 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.41 150.64 70.57 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.195 2.597 . . . . 0.0 113.1 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -129.68 -20.55 3.21 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.812 1.645 . . . . 0.0 112.265 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -161.5 163.12 30.5 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.954 2.502 . . . . 0.0 108.737 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -152.41 159.76 43.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.888 1.275 . . . . 0.0 112.21 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -143.04 173.55 11.46 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.16 1.384 . . . . 0.0 112.35 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.472 0.635 0 C-N-CA 125.16 1.384 . . . . 0.0 110.719 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.246 0 C4'-C3'-C2' 99.722 -2.978 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 98.991 -3.709 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 C5'-C4'-O4' 113.015 2.725 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 0 O4'-C1'-N19 111.999 3.799 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 99.625 -3.075 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C4'-C3'-C2' 98.946 -3.754 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.11 0 C4'-C3'-C2' 99.305 -3.395 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 0 O4'-C1'-N19 111.24 3.04 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 110.647 2.447 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 O4'-C1'-N19 112.173 3.973 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.999 1 O4'-C1'-N19 112.427 4.227 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.287 0 C4'-C3'-C2' 99.513 -3.187 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.304 -3.396 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.674 3.474 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C3'-C2'-C1' 104.774 3.638 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C5'-C4'-O4' 112.772 2.552 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C3'-C2'-C1' 105.073 3.97 OUTLIER-DELTA 0.01 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 C4'-C3'-C2' 99.492 -3.208 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.332 0 O4'-C1'-N19 110.837 2.637 . 0.012 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.269 -3.431 . 0.0 OUTLIER '7D dist 3d' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 1 O4'-C1'-N19 112.275 4.075 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 99.405 -3.295 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 C4'-C3'-C2' 99.396 -3.304 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 1 O4'-C1'-N19 112.7 4.5 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.087 0 C3'-C2'-C1' 104.029 2.81 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.146 0 C4'-C3'-C2' 99.766 -2.934 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 110.834 2.634 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 O4'-C1'-N19 112.499 4.299 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 1 C4'-C3'-C2' 97.458 -5.242 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.331 0 O5'-C5'-C4' 114.612 3.152 . 0.605 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O4'-C1'-N19 111.88 3.68 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 O4'-C1'-N19 111.958 3.758 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 1 O4'-C1'-N19 112.314 4.114 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 C4'-C3'-C2' 99.818 -2.882 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.96 1 C5'-C4'-C3' 108.975 -4.35 . 0.912 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.312 1 C5'-C4'-C3' 109.017 -4.322 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.609 0 P-O3'-C3' 122.189 2.074 . 0.57 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 1 O4'-C1'-N19 113.051 4.851 . 0.756 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.383 0 C4'-C3'-C2' 100.183 -2.517 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 99.111 -3.589 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 C4'-C3'-C2' 99.366 -3.334 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 O4'-C1'-N19 111.746 3.546 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.468 0 O4'-C1'-N19 110.85 2.65 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.84 -2.86 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ' U' . . . . . 0.405 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 O4'-C1'-N19 113.46 5.26 . 0.757 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ' C' . . . . . 0.405 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.632 1 O4'-C1'-N19 112.696 4.496 . 0.607 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.136 1 O4'-C1'-N19 113.066 4.866 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' ' U' . . . . . 0.444 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 C4'-C3'-C2' 99.086 -3.614 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' ' U' . . . . . 0.444 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.336 1 O4'-C1'-N19 112.329 4.129 . 0.686 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 1 C4'-C3'-C2' 98.529 -4.171 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 C4'-C3'-C2' 99.628 -3.072 . 0.647 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 O4'-C1'-N19 111.941 3.741 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 111.624 3.424 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.608 2 O4'-C1'-N19 116.135 7.935 . 0.124 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 99.173 -3.527 . 0.458 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.992 0 C4'-C3'-C2' 98.878 -3.822 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 O4'-C1'-N19 111.62 3.42 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 98.856 -3.844 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 100.279 -2.421 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.186 0 O4'-C1'-N19 111.606 3.406 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 99.814 -2.886 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.505 3.305 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 112.024 3.824 . 0.156 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 1 O4'-C1'-N19 112.335 4.135 . 0.526 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 99.556 -3.144 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 99.472 -3.228 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 C4'-C3'-C2' 99.513 -3.187 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 O4'-C1'-N19 111.573 3.373 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.568 0.223 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.1 p -140.65 163.35 33.11 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.742 1.617 . . . . 0.0 111.688 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 p -139.33 -0.98 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.704 1.202 . . . . 0.0 113.826 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.83 146.19 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.85 1.26 . . . . 0.0 112.505 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -154.12 167.82 28.57 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.436 1.494 . . . . 0.0 112.151 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.54 9.24 0.08 OUTLIER Glycine 0 CA--C 1.538 1.488 0 N-CA-C 116.376 1.31 . . . . 0.0 116.376 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 53.94 18.31 1.61 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.688 1.995 . . . . 0.0 115.658 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -154.65 154.01 32.25 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.036 1.734 . . . . 0.0 111.172 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -139.68 157.71 45.33 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.378 1.871 . . . . 0.0 110.069 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -139.83 -20.57 0.9 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 48.06 31.92 2.69 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.796 2.038 . . . . 0.0 115.162 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 51.47 -101.99 0.11 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.246 2.218 . . . . 0.0 114.154 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.11 -144.64 10.69 Favored Glycine 0 CA--C 1.533 1.164 0 O-C-N 121.198 -0.939 . . . . 0.0 113.166 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.32 -168.67 40.0 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.818 1.675 . . . . 0.0 111.762 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -69.12 -41.93 76.73 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.797 -0.825 . . . . 0.0 110.529 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -167.74 143.71 4.02 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.447 2.699 . . . . 0.0 108.767 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -112.7 -171.49 1.87 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.832 1.653 . . . . 0.0 111.943 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 66.52 23.13 10.5 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 126.992 2.117 . . . . 0.0 114.231 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -48.49 -29.32 4.03 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.574 1.95 . . . . 0.0 114.45 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -122.64 44.23 2.69 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.211 1.805 . . . . 0.0 111.834 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.63 160.91 38.78 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.967 1.707 . . . . 0.0 109.977 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -154.58 155.85 35.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.122 1.769 . . . . 0.0 108.805 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -62.09 -6.01 2.66 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -117.72 13.81 14.26 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.221 1.809 . . . . 0.0 112.831 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -120.69 164.17 16.96 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.699 1.199 . . . . 0.0 113.631 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -88.3 124.38 33.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.988 1.315 . . . . 0.0 113.108 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.97 -7.06 31.74 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -105.89 -35.68 7.24 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.001 1.32 . . . . 0.0 114.267 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.51 -6.76 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.283 62.3 mttm 66.63 11.39 8.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.724 2.01 . . . . 0.0 116.296 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.56 158.36 21.3 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.935 0.789 . . . . 0.0 109.605 170.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -104.37 143.85 32.43 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.274 1.029 . . . . 0.0 111.815 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.89 -7.43 35.8 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.343 1.449 . . . . 0.0 115.342 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -149.88 172.84 14.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.299 1.44 . . . . 0.0 111.7 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -116.08 162.73 16.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.185 1.794 . . . . 0.0 110.07 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.65 -40.87 41.08 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -66.51 -3.16 5.65 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.323 1.449 . . . . 0.0 114.321 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.5 10.95 4.08 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.931 2.492 . . . . 0.0 111.752 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.98 116.1 9.56 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.68 -21.6 70.02 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 123.69 2.927 . . . . 0.0 114.493 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -74.51 -21.41 59.57 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.71 0.804 . . . . 0.0 112.945 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.8 139.3 90.9 Favored Pre-proline 0 N--CA 1.473 0.718 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.11 -11.49 17.77 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.719 2.946 . . . . 0.0 113.927 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -146.68 176.77 9.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.703 2.001 . . . . 0.0 111.989 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.15 -33.43 0.1 OUTLIER Glycine 0 CA--C 1.544 1.886 0 CA-C-O 117.086 -1.952 . . . . 0.0 116.496 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -47.24 162.34 2.4 Favored 'Cis proline' 0 C--N 1.357 0.99 0 CA-C-N 120.512 2.156 . . . . 0.0 114.264 -28.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -142.73 145.67 33.57 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.679 1.592 . . . . 0.0 110.595 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.44 -57.9 0.2 Allowed Glycine 0 CA--C 1.538 1.504 0 CA-C-O 118.472 -1.182 . . . . 0.0 113.467 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.28 158.5 56.07 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.838 2.359 . . . . 0.0 111.594 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.72 156.56 33.18 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.953 1.701 . . . . 0.0 111.3 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -71.17 -9.48 25.57 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 123.299 2.666 . . . . 0.0 115.084 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -144.29 125.64 14.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.444 1.097 . . . . 0.0 111.844 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.5 m -137.39 -21.43 1.17 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 126.258 1.823 . . . . 0.0 111.979 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p -135.12 175.77 9.27 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.677 1.991 . . . . 0.0 111.304 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -149.35 175.74 11.17 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.04 1.336 . . . . 0.0 112.597 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 125.123 1.369 . . . . 0.0 112.118 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.126 0 C4'-C3'-C2' 99.683 -3.017 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 0 C4'-C3'-C2' 99.614 -3.086 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.747 -2.953 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.092 1 O4'-C1'-N19 112.418 4.218 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.575 -3.125 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 0 C4'-C3'-C2' 98.899 -3.801 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 O4'-C1'-N19 111.785 3.585 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 111.246 3.046 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 C4'-C3'-C2' 100.016 -2.684 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.172 0 O4'-C1'-N19 111.989 3.789 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.053 1 O4'-C1'-N19 112.714 4.514 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.238 0 O4'-C1'-N19 112.032 3.832 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 C4'-C3'-C2' 98.403 -4.297 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.893 2 C4'-C3'-C2' 98.349 -4.351 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 O4'-C1'-N19 112.044 3.844 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C3'-C2'-C1' 104.76 3.622 . 0.725 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C3'-C2'-C1' 104.898 3.775 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 111.038 2.838 . 0.159 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 C5'-C4'-O4' 112.623 2.445 . 0.104 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.672 -3.028 . 0.178 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 1 O4'-C1'-N19 112.274 4.074 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C4'-C3'-C2' 99.471 -3.229 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C4'-C3'-C2' 99.335 -3.365 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 1 O4'-C1'-N19 112.909 4.709 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.109 0 O4'-C1'-N19 111.416 3.216 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.352 0 C4'-C3'-C2' 99.537 -3.163 . 0.47 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C4'-C3'-C2' 99.704 -2.996 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.013 1 O4'-C1'-N19 112.545 4.345 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 1 C4'-C3'-C2' 97.094 -5.606 . 0.635 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 C5'-C4'-O4' 112.651 2.465 . 0.629 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 O4'-C1'-N19 111.67 3.47 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 111.836 3.636 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 1 O4'-C1'-N19 112.38 4.18 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 99.861 -2.839 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.871 1 C5'-C4'-C3' 108.988 -4.341 . 0.942 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.336 0 C5'-C4'-C3' 111.797 -2.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 O4'-C4'-C3' 108.516 2.154 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 O4'-C1'-N19 114.297 6.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 1 O5'-C5'-C4' 116.172 4.266 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C4'-C3'-C2' 99.061 -3.639 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 99.299 -3.401 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C4'-C3'-C2' 99.321 -3.379 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.371 0 C5'-C4'-O4' 112.487 2.348 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 99.807 -2.893 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ' U' . . . . . 0.427 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.251 1 O4'-C1'-N19 113.279 5.079 . 0.755 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ' C' . . . . . 0.427 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.473 0 O4'-C1'-N19 112.041 3.841 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 O4'-C1'-N19 113.151 4.951 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' ' U' . . . . . 0.4 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C4'-C3'-C2' 99.017 -3.683 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' ' U' . . . . . 0.4 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.032 -3.668 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 111.889 3.689 . 0.831 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.645 -3.055 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 O4'-C1'-N19 111.353 3.153 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.296 3.096 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O4'-C1'-N19 111.459 3.259 . 0.03 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O5'-C5'-C4' 113.959 2.685 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 C4'-C3'-C2' 99.147 -3.553 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 O4'-C1'-N19 111.343 3.143 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.056 0 C4'-C3'-C2' 99.431 -3.269 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 O4'-C1'-N19 110.777 2.577 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 111.644 3.444 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C4'-C3'-C2' 99.918 -2.782 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 111.109 2.909 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 O4'-C1'-N19 112.184 3.984 . 0.122 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 0 C3'-C2'-C1' 103.605 2.339 . 0.363 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 100.034 -2.666 . 0.73 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 O4'-C1'-N19 111.723 3.523 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 111.572 3.372 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 O4'-C1'-N19 111.599 3.399 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.9 t -99.27 122.57 42.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.387 1.475 . . . . 0.0 112.113 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.09 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -82.8 -50.97 8.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -111.73 -4.35 14.7 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 67.81 12.22 8.73 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.184 1.794 . . . . 0.0 114.998 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.78 164.56 12.03 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.958 0.903 . . . . 0.0 110.348 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -117.26 124.66 49.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.598 1.559 . . . . 0.0 110.05 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.08 -13.18 4.69 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.97 1.748 . . . . 0.0 115.03 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -151.75 172.96 15.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.893 1.677 . . . . 0.0 111.464 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.53 162.14 15.98 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.898 1.679 . . . . 0.0 110.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -37.24 40.95 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -54.73 -21.72 11.82 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.079 1.752 . . . . 0.0 113.878 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.2 19.33 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.798 2.039 . . . . 0.0 112.995 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.61 126.8 65.09 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo . . . . . 0 C--N 1.354 0.844 0 C-N-CA 123.207 2.604 . . . . 0.0 113.025 -179.699 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -95.29 121.51 37.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.998 -1.064 . . . . 0.0 110.661 174.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.71 -23.28 67.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -89.82 -39.6 12.99 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.0 -4.41 8.53 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.27 14.0 mptt 67.67 9.67 7.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.501 1.921 . . . . 0.0 115.251 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.5 176.85 2.66 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.43 1.014 . . . . 0.0 110.354 170.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -124.66 149.43 47.16 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.05 -1.031 . . . . 0.0 112.701 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.08 -2.68 55.16 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.261 1.41 . . . . 0.0 114.731 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -153.33 169.15 23.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.85 1.66 . . . . 0.0 111.126 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -112.55 166.9 10.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.948 1.699 . . . . 0.0 110.025 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.36 47.66 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.931 0.893 . . . . 0.0 113.086 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.7 -12.73 3.17 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.389 1.876 . . . . 0.0 114.651 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -133.25 14.03 4.19 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.123 2.169 . . . . 0.0 112.64 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -56.96 124.01 62.63 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 124.286 1.034 . . . . 0.0 113.28 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.353 0.793 0 C-N-CA 122.989 2.459 . . . . 0.0 113.33 -178.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 CA--C 1.546 0.807 0 CA-C-O 120.732 0.301 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -84.11 125.32 32.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.936 1.294 . . . . 0.0 112.851 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.5 75.74 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.853 -1.154 . . . . 0.0 113.162 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -75.93 -42.61 48.22 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.72 -9.27 8.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.403 63.2 mttp 66.0 14.88 9.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.441 1.896 . . . . 0.0 116.082 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -73.89 167.37 21.6 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -112.04 161.03 16.91 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.66 66.96 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.387 1.47 . . . . 0.0 114.654 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.51 174.95 13.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 111.604 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -117.56 163.26 16.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.503 1.921 . . . . 0.0 109.544 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.35 48.54 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -60.34 -14.08 16.58 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.573 1.949 . . . . 0.0 113.065 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.31 13.36 5.58 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.837 2.455 . . . . 0.0 112.67 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -53.93 129.49 57.02 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.598 1.159 . . . . 0.0 113.425 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--N 1.354 0.848 0 C-N-CA 123.124 2.55 . . . . 0.0 113.444 -177.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.3 t -100.45 125.08 46.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.401 1.88 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.46 67.99 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -80.31 -38.61 30.33 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -126.16 -6.19 6.62 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.6 mptp? 69.9 1.86 3.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.543 2.337 . . . . 0.0 115.116 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -65.71 171.42 4.25 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.14 0.882 . . . . 0.0 111.158 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -116.38 164.24 14.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.819 1.247 . . . . 0.0 113.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.36 -1.49 76.55 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.565 1.555 . . . . 0.0 114.398 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -157.38 171.33 20.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.227 1.811 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -113.72 167.22 10.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.76 1.624 . . . . 0.0 109.185 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -39.05 59.35 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.12 -13.59 12.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.204 1.802 . . . . 0.0 113.775 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -130.82 17.24 5.19 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.66 2.384 . . . . 0.0 111.834 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -57.95 127.47 79.48 Favored Pre-proline 0 CA--C 1.55 0.96 0 O-C-N 121.613 -0.679 . . . . 0.0 112.553 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.351 0.698 0 C-N-CA 122.444 2.096 . . . . 0.0 112.774 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -99.32 119.31 37.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.801 1.24 . . . . 0.0 111.488 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -26.38 68.61 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -83.85 -43.61 15.17 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.88 -3.45 11.19 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm 69.54 6.95 5.97 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.6 1.96 . . . . 0.0 115.008 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.51 173.39 3.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.27 0.941 . . . . 0.0 111.521 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -126.64 139.51 53.11 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 111.188 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.07 -8.96 23.08 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.935 1.731 . . . . 0.0 114.109 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -152.1 171.07 18.45 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.556 1.942 . . . . 0.0 110.706 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -113.14 167.25 10.7 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.678 1.591 . . . . 0.0 110.618 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.91 -41.0 64.0 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 112.781 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -62.21 -6.13 2.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.693 1.997 . . . . 0.0 114.146 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -135.34 11.26 3.51 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.547 2.339 . . . . 0.0 111.921 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.57 129.87 81.09 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.907 1.283 . . . . 0.0 114.084 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo . . . . . 0 C--N 1.354 0.839 0 C-N-CA 123.574 2.849 . . . . 0.0 113.61 -178.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.4 t -103.94 118.0 35.65 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.514 1.526 . . . . 0.0 109.985 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -8.73 33.86 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -102.95 -37.63 7.72 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -6.59 9.53 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.272 7.3 ttmm 69.95 9.24 7.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.736 2.014 . . . . 0.0 115.569 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.4 174.05 2.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -132.33 137.84 47.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.576 1.15 . . . . 0.0 111.027 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.87 -9.84 11.32 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.037 1.78 . . . . 0.0 113.32 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -151.8 161.0 43.37 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.815 2.046 . . . . 0.0 110.398 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -98.97 164.45 12.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.748 1.219 . . . . 0.0 110.072 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.07 -35.35 61.96 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.5 -0.75 . . . . 0.0 112.987 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -62.39 -9.49 8.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.876 2.07 . . . . 0.0 112.951 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.58 16.93 3.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.456 2.703 . . . . 0.0 111.841 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t -58.38 122.52 60.34 Favored Pre-proline 0 CA--C 1.55 0.942 0 O-C-N 120.826 -1.171 . . . . 0.0 112.478 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo . . . . . 0 C--N 1.353 0.794 0 C-N-CA 122.609 2.206 . . . . 0.0 113.101 -178.123 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.5 t -83.05 125.06 31.04 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.841 1.256 . . . . 0.0 113.779 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.65 66.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.267 -0.896 . . . . 0.0 113.362 175.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -87.37 -57.8 2.82 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.216 0.916 . . . . 0.0 112.909 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.6 -6.92 21.18 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 67.71 6.31 4.96 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.544 1.937 . . . . 0.0 114.73 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.91 158.18 36.0 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 110.722 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -94.39 162.36 13.86 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.32 82.06 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.612 1.577 . . . . 0.0 116.437 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -155.33 175.62 13.62 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.794 1.297 . . . . 0.0 112.116 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -117.48 159.71 22.39 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.508 1.923 . . . . 0.0 108.76 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.17 -34.93 33.66 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.61 -20.54 21.57 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.392 1.477 . . . . 0.0 113.834 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.53 18.6 6.87 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.982 2.113 . . . . 0.0 112.694 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.64 124.39 26.0 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo . . . . . 0 C--N 1.352 0.757 0 C-N-CA 122.927 2.418 . . . . 0.0 114.56 -174.306 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.14 122.9 42.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.484 1.914 . . . . 0.0 110.883 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.17 -19.26 65.89 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -88.66 -42.13 12.19 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.63 -5.03 9.75 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.284 13.4 mptt 68.21 4.39 4.13 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.307 2.243 . . . . 0.0 115.247 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.59 172.76 3.15 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.222 0.919 . . . . 0.0 110.565 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -119.65 159.69 23.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.47 1.108 . . . . 0.0 113.837 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.18 -4.56 65.04 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.37 1.462 . . . . 0.0 114.758 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -153.41 169.64 22.64 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.324 1.849 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -111.27 163.45 13.93 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.794 1.638 . . . . 0.0 109.748 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -37.59 55.02 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -56.87 -18.59 13.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.936 1.695 . . . . 0.0 113.632 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.32 17.27 5.46 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.258 2.223 . . . . 0.0 112.964 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -52.0 125.16 31.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 123.697 0.799 . . . . 0.0 113.131 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo . . . . . 0 C--N 1.353 0.811 0 C-N-CA 122.806 2.337 . . . . 0.0 113.334 -177.5 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.57 123.45 35.87 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 113.987 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.99 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -92.92 -41.1 10.23 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -121.96 -4.67 9.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.285 13.7 mptt 65.89 13.52 9.07 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 114.863 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.38 174.32 5.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.179 -0.951 . . . . 0.0 111.021 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 155.13 28.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.5 1.52 . . . . 0.0 112.968 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.98 -3.87 70.82 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.411 1.482 . . . . 0.0 115.547 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -153.43 175.49 13.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.505 1.522 . . . . 0.0 111.616 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -117.71 164.27 15.24 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.445 1.898 . . . . 0.0 109.622 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.2 57.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.064 0.946 . . . . 0.0 112.705 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -54.18 -18.34 3.72 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.116 2.167 . . . . 0.0 113.976 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -133.3 15.34 4.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.333 2.253 . . . . 0.0 113.231 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.8 122.97 36.84 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.664 1.186 . . . . 0.0 113.702 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo . . . . . 0 C--N 1.352 0.76 0 C-N-CA 122.836 2.358 . . . . 0.0 112.857 -178.777 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -88.3 124.38 33.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.988 1.315 . . . . 0.0 113.108 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.97 -7.06 31.74 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -105.89 -35.68 7.24 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.001 1.32 . . . . 0.0 114.267 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.51 -6.76 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.283 62.3 mttm 66.63 11.39 8.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.724 2.01 . . . . 0.0 116.296 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.56 158.36 21.3 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.935 0.789 . . . . 0.0 109.605 170.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -104.37 143.85 32.43 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.274 1.029 . . . . 0.0 111.815 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.89 -7.43 35.8 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.343 1.449 . . . . 0.0 115.342 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -149.88 172.84 14.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.299 1.44 . . . . 0.0 111.7 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -116.08 162.73 16.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.185 1.794 . . . . 0.0 110.07 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.65 -40.87 41.08 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -66.51 -3.16 5.65 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.323 1.449 . . . . 0.0 114.321 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.5 10.95 4.08 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.931 2.492 . . . . 0.0 111.752 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.98 116.1 9.56 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo . . . . . 0 C--N 1.355 0.919 0 C-N-CA 123.69 2.927 . . . . 0.0 114.493 178.576 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.228 0.061 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -134.87 1.37 3.02 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.262 1.025 . . . . 0.0 113.477 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 t 64.45 -25.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 128.196 2.598 . . . . 0.0 115.64 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 t 62.81 29.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 126.46 1.904 . . . . 0.0 111.925 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -147.92 158.41 44.03 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.904 2.082 . . . . 0.0 110.516 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.67 7.68 4.91 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 115.959 1.144 . . . . 0.0 115.959 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 49.46 31.83 4.28 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.23 1.812 . . . . 0.0 114.813 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -55.81 141.16 39.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.017 1.327 . . . . 0.0 112.216 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -113.36 -20.75 11.23 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.285 1.834 . . . . 0.0 112.721 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 53.23 -130.64 2.19 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.409 1.884 . . . . 0.0 112.066 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 62.45 17.73 9.76 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.101 1.76 . . . . 0.0 114.003 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -150.58 157.82 43.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.074 2.149 . . . . 0.0 110.216 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.26 -29.14 0.35 Allowed Glycine 0 CA--C 1.535 1.314 0 N-CA-C 116.004 1.162 . . . . 0.0 116.004 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.63 -22.81 0.25 Allowed Glycine 0 CA--C 1.536 1.395 0 CA-C-N 118.379 1.09 . . . . 0.0 115.262 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.45 163.03 30.99 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.862 1.665 . . . . 0.0 110.733 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -129.59 32.67 4.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.06 1.344 . . . . 0.0 113.425 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -75.54 -170.24 1.21 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.514 1.926 . . . . 0.0 111.39 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -63.14 -2.94 1.5 Allowed 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 m -49.48 -16.49 0.21 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.867 2.467 . . . . 0.0 117.299 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -129.3 33.33 4.55 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.457 1.503 . . . . 0.0 112.132 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -129.51 161.38 30.58 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.541 1.536 . . . . 0.0 113.32 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -153.5 164.91 37.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.671 2.788 . . . . 0.0 107.412 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.0 0.82 1.68 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -113.7 8.05 17.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.747 1.619 . . . . 0.0 112.506 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.21 169.22 9.01 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.9 t -99.27 122.57 42.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.387 1.475 . . . . 0.0 112.113 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.09 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -82.8 -50.97 8.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -111.73 -4.35 14.7 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 67.81 12.22 8.73 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.184 1.794 . . . . 0.0 114.998 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.78 164.56 12.03 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.958 0.903 . . . . 0.0 110.348 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -117.26 124.66 49.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.598 1.559 . . . . 0.0 110.05 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.08 -13.18 4.69 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.97 1.748 . . . . 0.0 115.03 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -151.75 172.96 15.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.893 1.677 . . . . 0.0 111.464 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.53 162.14 15.98 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.898 1.679 . . . . 0.0 110.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -37.24 40.95 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -54.73 -21.72 11.82 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.079 1.752 . . . . 0.0 113.878 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.2 19.33 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.798 2.039 . . . . 0.0 112.995 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.61 126.8 65.09 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.98 -7.26 20.73 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.207 2.604 . . . . 0.0 113.025 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -108.48 6.96 26.64 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.972 1.709 . . . . 0.0 112.748 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -122.01 135.88 25.75 Favored Pre-proline 0 N--CA 1.479 0.977 0 CA-C-N 119.447 1.021 . . . . 0.0 112.585 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -52.84 162.77 2.34 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 124.289 3.326 . . . . 0.0 115.436 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -132.91 164.2 27.46 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.065 1.746 . . . . 0.0 111.48 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.41 176.69 29.74 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.171 0.891 . . . . 0.0 114.9 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.03 -23.44 10.21 Favored 'Cis proline' 0 CA--C 1.542 0.876 0 C-N-CA 124.562 -1.016 . . . . 0.0 114.653 29.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -137.12 28.59 2.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.484 1.513 . . . . 0.0 113.168 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.4 -168.82 24.53 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 126.688 2.09 . . . . 0.0 112.045 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.6 167.13 23.61 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.336 2.691 . . . . 0.0 111.857 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.2 mtp-105 -127.76 80.62 71.7 Favored Pre-proline 0 N--CA 1.478 0.959 0 C-N-CA 125.063 1.345 . . . . 0.0 111.901 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -73.69 172.27 16.13 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 123.747 2.965 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -131.84 12.39 4.8 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.902 1.281 . . . . 0.0 114.152 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.6 p -141.37 161.72 37.21 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.162 1.785 . . . . 0.0 111.493 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.1 p -155.39 168.12 28.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.304 1.442 . . . . 0.0 112.071 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.7 mt -140.89 159.51 42.06 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.181 1.792 . . . . 0.0 110.881 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 125.609 1.564 . . . . 0.0 110.867 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.129 0 O4'-C1'-N19 111.111 2.911 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 99.532 -3.168 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C5'-C4'-O4' 112.886 2.633 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 O4'-C1'-N19 111.667 3.467 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 C4'-C3'-C2' 99.472 -3.228 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.999 1 C4'-C3'-C2' 98.665 -4.035 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 C4'-C3'-C2' 99.435 -3.265 . 0.491 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 O4'-C1'-N19 110.848 2.648 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 0 C4'-C3'-C2' 100.003 -2.697 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 1 O4'-C1'-N19 112.212 4.012 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 1 O4'-C1'-N19 112.699 4.499 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 O4'-C1'-N19 111.668 3.468 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C4'-C3'-C2' 98.944 -3.756 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 1 C4'-C3'-C2' 98.381 -4.319 . 0.546 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 C3'-C2'-C1' 104.43 3.255 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 110.919 2.719 . 0.06 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 C5'-C4'-O4' 114.012 3.437 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 1 C3'-C2'-C1' 105.427 4.363 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.458 0 P-O3'-C3' 124.08 3.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C4'-C3'-C2' 99.515 -3.185 . 0.346 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 1 O4'-C1'-N19 112.488 4.288 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.172 0 C4'-C3'-C2' 99.26 -3.44 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.277 -3.423 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 1 O4'-C1'-N19 112.731 4.531 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ' U' . . . . . 0.405 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 C3'-C2'-C1' 103.694 2.438 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ' G' . . . . . 0.405 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 C4'-C3'-C2' 99.783 -2.917 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 O4'-C1'-N19 110.969 2.769 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 1 O4'-C1'-N19 112.477 4.277 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 1 C4'-C3'-C2' 97.656 -5.044 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.432 0 O5'-C5'-C4' 114.762 3.259 . 0.616 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 O4'-C1'-N19 111.975 3.775 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 112.042 3.842 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 1 O4'-C1'-N19 112.247 4.047 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 99.381 -3.319 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 O4'-C1'-N19 111.901 3.701 . 0.869 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.361 0 C3'-C2'-C1' 104.639 3.488 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O5'-C5'-C4' 114.823 3.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C3'-C2'-C1' 104.063 2.848 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 100.354 -2.346 . 0.072 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 C4'-C3'-C2' 99.033 -3.667 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C4'-C3'-C2' 99.164 -3.536 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 O4'-C1'-N19 111.888 3.688 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.446 0 O4'-C1'-N19 110.813 2.613 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C4'-C3'-C2' 99.807 -2.893 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ' U' . . . . . 0.468 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 O4'-C1'-N19 113.247 5.047 . 0.785 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ' C' . . . . . 0.468 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.541 2.377 0 O4'-C1'-N19 112.125 3.925 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.067 1 O4'-C1'-N19 113.064 4.864 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ' U' . . . . . 0.439 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.078 -3.622 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' ' U' . . . . . 0.439 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 112.168 3.968 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.813 3.613 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C4'-C3'-C2' 99.81 -2.89 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C3'-C2'-C1' 104.432 3.258 . 0.571 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 110.937 2.737 . 0.231 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 C5'-C4'-O4' 112.328 2.235 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.141 0 O5'-C5'-C4' 115.633 3.881 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 99.146 -3.554 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.171 2.971 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 C4'-C3'-C2' 99.393 -3.307 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.026 0 O4'-C1'-N19 110.902 2.702 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.136 1 O4'-C1'-N19 112.324 4.124 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.34 1 O4'-C1'-N19 112.214 4.014 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 O4'-C1'-N19 112.101 3.901 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 1 O4'-C1'-N19 114.378 6.178 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' ' U' . . . . . 0.437 " H2'" ' C8 ' ' B' ' 157' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.642 3.442 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' ' G' . . . . . 0.437 ' C8 ' " H2'" ' B' ' 156' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 C4'-C3'-C2' 100.102 -2.598 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.255 0 O4'-C1'-N19 111.853 3.653 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 O4'-C1'-N19 111.688 3.488 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 O4'-C1'-N19 111.608 3.408 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.324 0.106 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.1 m -140.65 141.76 35.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.058 1.343 . . . . 0.0 110.437 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.69 162.49 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.909 1.684 . . . . 0.0 111.232 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.7 161.34 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.654 1.582 . . . . 0.0 111.376 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -153.11 150.23 28.89 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.937 1.295 . . . . 0.0 111.052 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.66 174.47 36.69 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.089 1.328 . . . . 0.0 113.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -133.71 -0.32 3.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.589 1.155 . . . . 0.0 114.079 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 tptm 57.21 8.12 0.53 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 127.526 2.331 . . . . 0.0 115.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 62.42 173.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.609 2.363 . . . . 0.0 113.649 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -123.26 142.83 50.51 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.046 1.338 . . . . 0.0 111.249 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -131.67 12.63 4.89 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.507 1.523 . . . . 0.0 113.703 -174.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -138.59 -6.72 1.5 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.518 1.527 . . . . 0.0 113.778 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.5 -175.31 47.53 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.03 1.3 . . . . 0.0 112.822 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.51 177.51 47.85 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 123.981 0.801 . . . . 0.0 114.424 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 60.1 170.18 0.08 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.594 2.357 . . . . 0.0 116.777 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -144.94 -13.05 0.55 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.224 1.81 . . . . 0.0 113.477 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.58 -173.64 4.58 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.967 1.707 . . . . 0.0 111.927 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 62.94 -2.37 0.41 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 127.373 2.269 . . . . 0.0 116.384 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -48.7 111.69 0.5 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.838 1.655 . . . . 0.0 112.465 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 50.19 39.75 20.41 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.048 1.739 . . . . 0.0 114.361 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.27 91.16 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.275 1.03 . . . . 0.0 111.937 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -61.48 145.72 50.89 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.397 1.879 . . . . 0.0 111.929 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' HA ' ' H21' ' B' ' 110' ' ' ' G' . 4.9 mpt_? -64.9 0.76 1.08 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.304 1.841 . . . . 0.0 115.369 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -115.08 2.41 14.16 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.458 1.503 . . . . 0.0 113.071 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -94.7 164.86 12.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.65 1.58 . . . . 0.0 111.863 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -95.29 121.51 37.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.998 -1.064 . . . . 0.0 110.661 174.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.71 -23.28 67.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -89.82 -39.6 12.99 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.0 -4.41 8.53 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.27 14.0 mptt 67.67 9.67 7.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.501 1.921 . . . . 0.0 115.251 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.5 176.85 2.66 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.43 1.014 . . . . 0.0 110.354 170.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -124.66 149.43 47.16 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.05 -1.031 . . . . 0.0 112.701 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.08 -2.68 55.16 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.261 1.41 . . . . 0.0 114.731 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -153.33 169.15 23.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.85 1.66 . . . . 0.0 111.126 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -112.55 166.9 10.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.948 1.699 . . . . 0.0 110.025 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.36 47.66 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.931 0.893 . . . . 0.0 113.086 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.7 -12.73 3.17 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.389 1.876 . . . . 0.0 114.651 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -133.25 14.03 4.19 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.123 2.169 . . . . 0.0 112.64 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -56.96 124.01 62.63 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 124.286 1.034 . . . . 0.0 113.28 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.67 -15.34 40.95 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.989 2.459 . . . . 0.0 113.33 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -79.18 -20.94 47.15 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.218 1.007 . . . . 0.0 112.658 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -64.8 143.23 98.74 Favored Pre-proline 0 N--CA 1.479 1.003 0 CA-C-N 119.273 0.942 . . . . 0.0 112.206 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -39.21 93.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 126.534 4.823 . . . . 0.0 116.942 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 49.09 29.44 2.49 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.004 2.121 . . . . 0.0 114.345 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.84 -166.97 22.93 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 126.138 1.828 . . . . 0.0 113.467 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -56.32 137.04 10.22 Favored 'Cis proline' 0 CA--C 1.539 0.727 0 CA-C-N 117.649 0.725 . . . . 0.0 112.724 -26.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -154.85 158.31 39.18 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.014 1.326 . . . . 0.0 113.233 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.02 49.48 0.04 OUTLIER Glycine 0 CA--C 1.54 1.631 0 CA-C-O 118.204 -1.331 . . . . 0.0 115.687 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -68.91 109.63 2.19 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.135 2.557 . . . . 0.0 111.033 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -140.41 152.77 67.5 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 126.271 1.828 . . . . 0.0 112.039 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -70.45 166.12 29.52 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.4 2.733 . . . . 0.0 112.179 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -139.23 161.12 38.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.362 1.465 . . . . 0.0 111.604 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 m -57.96 139.64 53.95 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.445 1.498 . . . . 0.0 112.493 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -150.39 166.63 29.49 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.273 1.429 . . . . 0.0 112.145 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.8 tp -139.43 -11.79 1.2 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.869 1.268 . . . . 0.0 113.98 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 N--CA 1.472 0.633 0 C-N-CA 125.593 1.557 . . . . 0.0 110.55 179.734 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 C4'-C3'-C2' 99.714 -2.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 99.358 -3.342 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 99.575 -3.125 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 112.115 3.915 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C4'-C3'-C2' 99.661 -3.039 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 99.375 -3.325 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C4'-C3'-C2' 99.302 -3.398 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 0 C4'-C3'-C2' 99.89 -2.81 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C4'-C3'-C2' 100.026 -2.674 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.954 3.754 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.026 1 O4'-C1'-N19 112.741 4.541 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 0 O4'-C1'-N19 111.821 3.621 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 C4'-C3'-C2' 99.115 -3.585 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.831 2 O4'-C1'-N19 112.617 4.417 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.8 0 C3'-C2'-C1' 104.73 3.589 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 O4'-C1'-N19 111.797 3.597 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 C1'-O4'-C4' 105.787 -4.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' G' . . . . . 0.446 ' H21' ' HA ' ' A' ' 23' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C4'-C3'-C2' 99.404 -3.296 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.981 0 C5'-C4'-C3' 110.104 -3.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 111.144 2.944 . 0.29 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.809 3.609 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 99.31 -3.39 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 C4'-C3'-C2' 99.135 -3.565 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 1 O4'-C1'-N19 112.917 4.717 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ' U' . . . . . 0.457 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.141 0 O4'-C1'-N19 111.285 3.085 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ' G' . . . . . 0.457 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.54 2.31 0 C4'-C3'-C2' 99.646 -3.054 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 C4'-C3'-C2' 99.78 -2.92 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 1 O4'-C1'-N19 112.36 4.16 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 1 C4'-C3'-C2' 96.912 -5.788 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.135 0 C4'-C3'-C2' 100.002 -2.698 . 0.519 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 O4'-C1'-N19 111.86 3.66 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C1'-N19 111.678 3.478 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 O4'-C1'-N19 111.95 3.75 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C4'-C3'-C2' 100.032 -2.668 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.824 1 C5'-C4'-C3' 108.777 -4.482 . 0.899 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.288 0 C5'-C4'-C3' 110.085 -3.61 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.591 0 O5'-C5'-C4' 113.67 2.478 . 0.61 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C3'-C2'-C1' 103.606 2.34 . 0.833 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.151 -2.549 . 0.021 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C4'-C3'-C2' 99.036 -3.664 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 C4'-C3'-C2' 99.294 -3.406 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 0 C4'-C3'-C2' 99.141 -3.559 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.223 0 C5'-C4'-O4' 112.657 2.47 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 C4'-C3'-C2' 99.798 -2.902 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 1 O4'-C1'-N19 112.916 4.716 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 O4'-C1'-N19 112.101 3.901 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 1 O4'-C1'-N19 112.806 4.606 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' ' U' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C4'-C3'-C2' 99.165 -3.535 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' ' U' . . . . . 0.441 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.139 2 C4'-C3'-C2' 98.561 -4.139 . 0.554 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 O4'-C1'-N19 111.71 3.51 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 C4'-C3'-C2' 100.044 -2.656 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 100.176 -2.524 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 110.08 1.88 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 O4'-C1'-N19 112.146 3.946 . 0.05 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.876 0 C4'-C3'-C2' 99.229 -3.471 . 0.218 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C4'-C3'-C2' 99.039 -3.661 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 O4'-C1'-N19 111.224 3.024 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.967 0 C4'-C3'-C2' 99.44 -3.26 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 O4'-C1'-N19 110.703 2.503 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 O4'-C1'-N19 111.264 3.064 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.74 -2.96 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C1'-N19 111.619 3.419 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 1 O4'-C1'-N19 112.723 4.523 . 0.114 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 1 O4'-C1'-N19 112.396 4.196 . 0.469 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.609 -3.091 . 0.474 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.234 0 O4'-C1'-N19 111.833 3.633 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 O4'-C1'-N19 111.563 3.363 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.383 3.183 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 119.531 -0.271 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 p -139.38 160.98 38.56 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.777 1.631 . . . . 0.0 111.485 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -130.55 11.24 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 124.594 1.157 . . . . 0.0 113.893 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t 67.84 -51.4 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 128.79 2.836 . . . . 0.0 113.414 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -80.31 3.04 22.32 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.873 1.669 . . . . 0.0 113.654 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.35 176.64 44.56 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.459 1.504 . . . . 0.0 113.368 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -146.06 168.19 21.54 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.978 1.711 . . . . 0.0 112.546 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -144.05 145.83 32.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.744 1.618 . . . . 0.0 111.084 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -134.67 12.51 3.72 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.249 1.42 . . . . 0.0 113.714 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.0 156.63 30.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.217 1.407 . . . . 0.0 114.114 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -149.08 146.2 27.61 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.948 1.699 . . . . 0.0 111.067 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -157.05 153.68 28.3 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.844 1.658 . . . . 0.0 109.77 177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.43 160.44 28.57 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.957 1.265 . . . . 0.0 112.998 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.25 37.69 0.06 OUTLIER Glycine 0 CA--C 1.534 1.267 0 N-CA-C 115.703 1.041 . . . . 0.0 115.703 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -146.65 144.49 29.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.525 1.13 . . . . 0.0 111.371 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttp85 -140.67 45.92 1.8 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.369 1.468 . . . . 0.0 111.307 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -138.6 161.46 37.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.928 1.691 . . . . 0.0 112.356 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -94.44 -9.04 36.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.965 1.706 . . . . 0.0 112.764 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 m -48.63 -17.16 0.15 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.812 2.845 . . . . 0.0 117.396 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -128.49 29.13 5.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.764 1.226 . . . . 0.0 113.296 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.3 mt -97.7 161.88 13.55 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 122.523 1.154 . . . . 0.0 112.534 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -149.88 137.32 19.87 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.347 2.659 . . . . 0.0 106.412 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -69.02 6.85 0.81 Allowed 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.935 1.458 . . . . 0.0 114.935 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -127.21 26.23 6.07 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 127.699 2.4 . . . . 0.0 110.683 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -132.69 153.37 51.19 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.789 2.036 . . . . 0.0 111.589 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -84.11 125.32 32.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.936 1.294 . . . . 0.0 112.851 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.5 75.74 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.853 -1.154 . . . . 0.0 113.162 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -75.93 -42.61 48.22 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.72 -9.27 8.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.403 63.2 mttp 66.0 14.88 9.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.441 1.896 . . . . 0.0 116.082 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -73.89 167.37 21.6 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -112.04 161.03 16.91 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.66 66.96 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.387 1.47 . . . . 0.0 114.654 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.51 174.95 13.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 111.604 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -117.56 163.26 16.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.503 1.921 . . . . 0.0 109.544 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.35 48.54 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -60.34 -14.08 16.58 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.573 1.949 . . . . 0.0 113.065 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.31 13.36 5.58 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.837 2.455 . . . . 0.0 112.67 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -53.93 129.49 57.02 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.598 1.159 . . . . 0.0 113.425 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.19 -18.56 56.26 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.124 2.55 . . . . 0.0 113.444 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -113.57 14.97 19.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.016 1.326 . . . . 0.0 113.877 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -54.55 134.87 63.29 Favored Pre-proline 0 N--CA 1.478 0.954 0 CA-C-N 118.915 0.78 . . . . 0.0 112.833 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.26 -6.76 19.15 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 123.427 2.752 . . . . 0.0 115.399 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -136.2 149.85 48.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.592 1.557 . . . . 0.0 111.635 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.22 -116.04 1.97 Allowed Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.143 1.83 . . . . 0.0 109.957 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -94.82 144.36 7.91 Favored 'Cis proline' 0 CA--C 1.542 0.894 0 CA-C-N 119.167 1.483 . . . . 0.0 111.535 26.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.31 40.94 5.74 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.128 1.771 . . . . 0.0 113.509 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.88 61.76 0.14 Allowed Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.742 1.163 . . . . 0.0 113.738 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -77.77 38.37 0.67 Allowed 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 125.138 3.892 . . . . 0.0 113.588 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -151.97 136.26 10.11 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 126.118 1.767 . . . . 0.0 111.015 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -70.67 165.93 30.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.158 2.572 . . . . 0.0 112.247 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -139.13 160.16 40.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.085 1.354 . . . . 0.0 111.649 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 m -141.28 148.57 40.02 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.654 1.582 . . . . 0.0 110.259 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -56.45 144.4 31.3 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.831 1.252 . . . . 0.0 112.922 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -150.58 175.45 11.9 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.399 1.48 . . . . 0.0 112.403 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 CA--C 1.54 0.596 0 C-N-CA 125.496 1.518 . . . . 0.0 110.745 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.263 0 C4'-C3'-C2' 99.994 -2.706 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 C4'-C3'-C2' 99.597 -3.103 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 100.131 -2.569 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 O4'-C1'-N19 111.419 3.219 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 99.668 -3.032 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 1 C4'-C3'-C2' 98.524 -4.176 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 O4'-C1'-N19 111.659 3.459 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 0 C4'-C3'-C2' 99.877 -2.823 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 0 C4'-C3'-C2' 100.166 -2.534 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 O4'-C1'-N19 111.809 3.609 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.942 3.742 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C4'-C3'-C2' 99.181 -3.519 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 O4'-C1'-N19 111.382 3.182 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.749 -2.951 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 P-O3'-C3' 123.813 3.428 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 1 P-O3'-C3' 125.066 4.472 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C3'-C2'-C1' 104.535 3.373 . 0.01 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O4'-C1'-N19 111.539 3.339 . 0.032 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 O4'-C1'-N19 110.211 2.011 . 0.518 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 C4'-C3'-C2' 98.953 -3.747 . 0.699 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 O4'-C1'-N19 112.094 3.894 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 O4'-C1'-N19 111.596 3.396 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C4'-C3'-C2' 99.656 -3.044 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 1 O4'-C1'-N19 112.44 4.24 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ' U' . . . . . 0.435 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C3'-C2'-C1' 104.137 2.93 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ' G' . . . . . 0.435 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.539 2.256 0 C4'-C3'-C2' 99.953 -2.747 . 0.443 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 111.111 2.911 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.024 1 O4'-C1'-N19 112.476 4.276 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 1 C4'-C3'-C2' 97.473 -5.227 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.558 0 O5'-C5'-C4' 114.816 3.297 . 0.593 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 O4'-C1'-N19 111.837 3.637 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.964 3.764 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 1 O4'-C1'-N19 112.369 4.169 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.787 -2.913 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.857 1 C5'-C4'-C3' 108.645 -4.57 . 0.924 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.303 0 C4'-C3'-C2' 100.074 -2.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C1'-O4'-C4' 106.723 -3.196 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.5 3.3 . 0.505 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.533 0 C4'-C3'-C2' 99.952 -2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 99.1 -3.6 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.317 -3.383 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 111.868 3.668 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.446 0 O4'-C1'-N19 110.804 2.604 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 C4'-C3'-C2' 99.435 -3.265 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ' U' . . . . . 0.46 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.227 1 O4'-C1'-N19 113.294 5.094 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ' C' . . . . . 0.46 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.448 1 O4'-C1'-N19 112.235 4.035 . 0.681 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 1 O4'-C1'-N19 113.366 5.166 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 C4'-C3'-C2' 99.026 -3.674 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 141' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 111.961 3.761 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 0 C4'-C3'-C2' 99.015 -3.685 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.933 -2.767 . 0.65 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C3'-C2'-C1' 104.343 3.158 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C1'-N19 111.395 3.195 . 0.34 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 1 O4'-C1'-N19 114.096 5.896 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 C4'-C3'-C2' 99.596 -3.104 . 0.119 2h . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.039 0 C4'-C3'-C2' 99.608 -3.092 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 99.374 -3.326 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.956 0 C4'-C3'-C2' 99.705 -2.995 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 100.285 -2.415 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 0 O4'-C1'-N19 111.835 3.635 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C4'-C3'-C2' 98.961 -3.739 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 O4'-C1'-N19 111.664 3.464 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 113.801 5.601 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 O4'-C4'-C3' 109.072 2.551 . 0.409 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 100.219 -2.481 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 110.771 2.571 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 C4'-C3'-C2' 99.805 -2.895 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.044 2.844 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.347 0.118 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.0 m -139.4 138.96 36.99 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.246 1.418 . . . . 0.0 110.24 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.6 13.86 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 125.031 1.332 . . . . 0.0 114.024 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.1 t -134.55 129.18 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.412 1.485 . . . . 0.0 109.87 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -67.3 159.23 29.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.031 1.333 . . . . 0.0 113.876 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.24 164.73 36.01 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.311 1.434 . . . . 0.0 112.386 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -154.66 136.27 14.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.266 1.027 . . . . 0.0 111.701 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -135.27 -0.61 2.69 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.096 1.758 . . . . 0.0 113.971 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -142.92 177.78 8.12 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.772 2.029 . . . . 0.0 110.795 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -135.22 162.67 31.88 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.323 1.449 . . . . 0.0 112.039 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -139.08 159.67 41.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.406 1.882 . . . . 0.0 110.52 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -125.58 -17.84 5.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.526 1.13 . . . . 0.0 113.369 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.68 175.47 21.97 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.917 1.246 . . . . 0.0 114.217 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.61 -7.83 0.06 OUTLIER Glycine 0 CA--C 1.542 1.731 0 C-N-CA 127.202 2.335 . . . . 0.0 114.065 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.55 158.83 43.41 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.777 2.031 . . . . 0.0 110.849 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.3 mmm-85 -141.96 -9.43 0.9 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.019 1.728 . . . . 0.0 114.631 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -117.47 13.94 14.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.188 1.395 . . . . 0.0 113.973 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 38.36 63.13 0.89 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.754 2.422 . . . . 0.0 114.005 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m 53.34 22.53 2.82 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.152 1.781 . . . . 0.0 114.501 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 54.63 35.25 23.26 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.127 1.771 . . . . 0.0 112.32 -173.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.15 163.36 6.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.873 1.269 . . . . 0.0 112.865 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -138.3 160.9 38.28 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.957 2.103 . . . . 0.0 107.739 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.5 mmt-85 -72.87 17.24 0.12 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.593 -1.317 . . . . 0.0 114.339 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -122.17 4.75 9.78 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 127.981 2.512 . . . . 0.0 111.756 174.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -119.77 167.04 12.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.953 1.301 . . . . 0.0 114.173 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.3 t -100.45 125.08 46.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.401 1.88 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.46 67.99 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -80.31 -38.61 30.33 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -126.16 -6.19 6.62 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.6 mptp? 69.9 1.86 3.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.543 2.337 . . . . 0.0 115.116 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -65.71 171.42 4.25 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.14 0.882 . . . . 0.0 111.158 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -116.38 164.24 14.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.819 1.247 . . . . 0.0 113.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.36 -1.49 76.55 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.565 1.555 . . . . 0.0 114.398 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -157.38 171.33 20.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.227 1.811 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -113.72 167.22 10.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.76 1.624 . . . . 0.0 109.185 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -39.05 59.35 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.12 -13.59 12.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.204 1.802 . . . . 0.0 113.775 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -130.82 17.24 5.19 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.66 2.384 . . . . 0.0 111.834 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -57.95 127.47 79.48 Favored Pre-proline 0 CA--C 1.55 0.96 0 O-C-N 121.613 -0.679 . . . . 0.0 112.553 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.95 -14.88 39.49 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.444 2.096 . . . . 0.0 112.774 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -84.46 -13.41 52.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.795 1.238 . . . . 0.0 113.177 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -70.55 158.7 87.19 Favored Pre-proline 0 N--CA 1.478 0.93 0 CA-C-N 119.087 0.858 . . . . 0.0 112.772 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -65.24 168.11 14.95 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.098 2.532 . . . . 0.0 111.06 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.4 mtm-85 55.1 40.62 31.92 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.649 1.18 . . . . 0.0 111.904 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.02 -162.21 33.63 Favored Glycine 0 CA--C 1.542 1.775 0 C-N-CA 125.932 1.729 . . . . 0.0 114.319 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -59.56 168.89 16.81 Favored 'Cis proline' 0 CA--C 1.543 0.964 0 N-CA-C 113.989 0.727 . . . . 0.0 113.989 -26.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -140.84 163.32 33.24 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.941 2.096 . . . . 0.0 110.1 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.98 -167.19 36.17 Favored Glycine 0 CA--C 1.543 1.836 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.62 172.48 10.38 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 124.733 3.622 . . . . 0.0 114.907 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -145.46 155.68 53.45 Favored Pre-proline 0 N--CA 1.479 1.004 0 C-N-CA 127.459 2.304 . . . . 0.0 111.71 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.66 157.27 1.55 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.976 3.784 . . . . 0.0 115.705 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -143.59 155.31 44.25 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.684 1.594 . . . . 0.0 110.83 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.1 p -129.23 13.61 6.14 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.554 1.542 . . . . 0.0 114.595 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -53.77 152.68 5.17 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.134 1.774 . . . . 0.0 114.439 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.55 -1.13 4.93 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.212 1.405 . . . . 0.0 112.275 179.422 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 C4'-C3'-C2' 99.642 -3.058 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 C4'-C3'-C2' 99.238 -3.462 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 99.67 -3.03 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 1 O4'-C1'-N19 112.701 4.501 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C4'-C3'-C2' 99.372 -3.328 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C4'-C3'-C2' 98.82 -3.88 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.173 0 O4'-C1'-N19 111.548 3.348 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 0 C4'-C3'-C2' 99.822 -2.878 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 O4'-C1'-N19 110.748 2.548 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.299 0 O4'-C1'-N19 112.154 3.954 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 1 O4'-C1'-N19 112.623 4.423 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 O4'-C1'-N19 111.849 3.649 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 1 C4'-C3'-C2' 98.672 -4.028 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 1 O4'-C1'-N19 113.013 4.813 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 0 O4'-C1'-N19 111.524 3.324 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.551 -3.149 . 0.378 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 C3'-C2'-C1' 105.094 3.993 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 110.978 2.778 . 0.225 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.108 0 C4'-C3'-O3' 118.526 3.048 OUTLIER-EPSILON 0.033 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 1 P-O3'-C3' 125.635 4.946 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.7 3.5 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 99.776 -2.924 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 C4'-C3'-C2' 99.408 -3.292 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 O4'-C1'-N19 112.792 4.592 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ' U' . . . . . 0.406 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.216 0 C3'-C2'-C1' 104.746 3.606 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ' G' . . . . . 0.406 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.573 0 C4'-C3'-C2' 99.892 -2.808 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C4'-C3'-C2' 99.872 -2.828 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 1 O4'-C1'-N19 112.89 4.69 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 1 C4'-C3'-C2' 97.221 -5.479 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 N19-C1'-C2' 109.701 -2.312 . 0.636 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 O4'-C1'-N19 111.664 3.464 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.497 3.297 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 0 O4'-C1'-N19 112.073 3.873 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 O4'-C1'-N19 111.549 3.349 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.098 0 O4'-C1'-N19 111.894 3.694 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.317 0 C4'-C3'-C2' 100.086 -2.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 P-O3'-C3' 123.554 3.211 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 1 O4'-C1'-N19 113.064 4.864 . 0.389 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 1 O5'-C5'-C4' 115.947 4.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C4'-C3'-C2' 99.15 -3.55 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 99.46 -3.24 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.113 0 C4'-C3'-C2' 99.22 -3.48 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 C4'-C3'-C2' 100.415 -2.285 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 O4'-C1'-N19 110.856 2.656 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ' U' . . . . . 0.436 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.269 1 O4'-C1'-N19 112.909 4.709 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ' C' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.504 1 O4'-C1'-N19 112.232 4.032 . 0.666 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 1 O4'-C1'-N19 113.008 4.808 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C5'-C4'-O4' 114.084 3.489 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 141' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.334 0 C4'-C3'-C2' 98.943 -3.757 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 C4'-C3'-C2' 98.858 -3.842 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 C4'-C3'-C2' 99.658 -3.042 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C4'-C3'-C2' 99.707 -2.993 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.582 3.382 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 2 O4'-C1'-N19 115.787 7.587 . 0.108 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 C5'-C4'-O4' 113.333 2.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C4'-C3'-C2' 98.869 -3.831 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.019 0 O4'-C1'-N19 111.488 3.288 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.024 0 C4'-C3'-C2' 99.377 -3.323 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 110.9 2.7 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.124 0 O4'-C1'-N19 111.89 3.69 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 99.914 -2.786 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 C4'-C3'-C2' 98.879 -3.821 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 2 O4'-C1'-N19 115.164 6.964 OUTLIER-DELTA 0.389 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 O4'-C1'-N19 110.594 2.394 . 0.191 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 99.79 -2.91 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.578 3.378 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.072 0 O4'-C1'-N19 111.571 3.371 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 O4'-C1'-N19 111.693 3.493 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.495 0.188 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.8 t -150.27 171.19 17.35 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.928 1.291 . . . . 0.0 111.638 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.35 144.71 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.914 1.685 . . . . 0.0 111.179 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.2 m -128.92 8.98 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 125.394 1.478 . . . . 0.0 113.871 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -138.43 29.59 2.42 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.056 1.742 . . . . 0.0 111.735 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -172.87 179.57 44.24 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.953 1.74 . . . . 0.0 112.51 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -113.83 -5.11 13.26 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.713 1.205 . . . . 0.0 113.892 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -150.37 153.65 36.39 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.229 1.412 . . . . 0.0 111.084 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -153.03 -42.85 0.1 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.005 1.722 . . . . 0.0 110.801 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -152.14 159.41 43.63 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.837 2.055 . . . . 0.0 109.059 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -56.05 137.68 50.71 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -124.09 -11.82 7.5 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.892 1.677 . . . . 0.0 113.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.04 -22.26 78.44 Favored Glycine 0 CA--C 1.54 1.602 0 CA-C-N 119.122 0.874 . . . . 0.0 115.268 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.73 -176.51 41.19 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.712 1.625 . . . . 0.0 112.074 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -150.06 -41.56 0.13 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -151.88 144.12 23.99 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.458 1.503 . . . . 0.0 110.416 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -58.37 -16.3 14.06 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -120.67 13.35 11.61 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.287 2.235 . . . . 0.0 112.345 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.8 t -51.25 112.58 0.76 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.164 1.386 . . . . 0.0 111.991 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 50.62 27.97 3.24 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.367 1.867 . . . . 0.0 114.748 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.44 133.84 45.06 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.702 1.201 . . . . 0.0 109.635 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -134.19 156.55 48.16 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.111 1.365 . . . . 0.0 110.505 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -67.66 14.88 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 128.197 2.599 . . . . 0.0 114.764 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -125.43 3.6 7.69 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.574 1.949 . . . . 0.0 112.914 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -105.79 167.11 10.0 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.601 1.16 . . . . 0.0 113.047 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -99.32 119.31 37.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.801 1.24 . . . . 0.0 111.488 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -26.38 68.61 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -83.85 -43.61 15.17 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.88 -3.45 11.19 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm 69.54 6.95 5.97 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.6 1.96 . . . . 0.0 115.008 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.51 173.39 3.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.27 0.941 . . . . 0.0 111.521 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -126.64 139.51 53.11 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 111.188 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.07 -8.96 23.08 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.935 1.731 . . . . 0.0 114.109 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -152.1 171.07 18.45 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.556 1.942 . . . . 0.0 110.706 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -113.14 167.25 10.7 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.678 1.591 . . . . 0.0 110.618 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.91 -41.0 64.0 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 112.781 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -62.21 -6.13 2.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.693 1.997 . . . . 0.0 114.146 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -135.34 11.26 3.51 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.547 2.339 . . . . 0.0 111.921 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.57 129.87 81.09 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.907 1.283 . . . . 0.0 114.084 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.68 -9.51 26.33 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.574 2.849 . . . . 0.0 113.61 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -113.06 8.85 18.51 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.594 1.158 . . . . 0.0 113.85 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -108.27 134.31 20.24 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 123.865 0.866 . . . . 0.0 110.522 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.12 -23.25 76.91 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.914 2.409 . . . . 0.0 114.438 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -100.01 16.88 22.53 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.263 1.425 . . . . 0.0 113.952 177.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.4 -36.2 34.97 Favored Glycine 0 CA--C 1.544 1.889 0 C-N-CA 126.631 2.062 . . . . 0.0 114.377 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -56.07 165.23 4.16 Favored 'Trans proline' 0 C--N 1.355 0.893 0 CA-C-N 120.028 1.914 . . . . 0.0 113.385 -30.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 149.38 35.53 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.231 1.012 . . . . 0.0 111.723 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.49 58.65 0.17 Allowed Glycine 0 CA--C 1.536 1.402 0 CA-C-O 118.573 -1.126 . . . . 0.0 115.056 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.22 157.46 61.73 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.922 2.415 . . . . 0.0 111.486 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -148.36 135.35 10.41 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 124.692 1.197 . . . . 0.0 111.579 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.3 161.16 45.2 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.08 2.52 . . . . 0.0 111.998 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -153.66 164.73 37.79 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.885 1.274 . . . . 0.0 112.32 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.8 p -142.64 156.19 45.03 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.967 1.707 . . . . 0.0 111.052 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -157.4 172.29 18.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.892 1.277 . . . . 0.0 111.638 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.67 158.83 33.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.078 1.351 . . . . 0.0 112.333 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.472 0.649 0 C-N-CA 125.208 1.403 . . . . 0.0 110.703 179.438 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.204 0 C4'-C3'-C2' 99.676 -3.024 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C4'-C3'-C2' 99.341 -3.359 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C4'-C3'-C2' 99.494 -3.206 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 1 O4'-C1'-N19 112.618 4.418 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C5'-C4'-O4' 113.316 2.94 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C4'-C3'-C2' 99.034 -3.666 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.217 0 C4'-C3'-C2' 99.24 -3.46 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 O4'-C1'-N19 111.277 3.077 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.226 0 C5'-C4'-O4' 112.562 2.402 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.157 0 O4'-C1'-N19 112.017 3.817 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 1 O4'-C1'-N19 112.605 4.405 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.208 0 O4'-C1'-N19 111.65 3.45 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C4'-C3'-C2' 98.832 -3.868 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.85 2 O4'-C1'-N19 112.973 4.773 . 0.605 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.733 0 C3'-C2'-C1' 104.885 3.761 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.763 -2.937 . 0.013 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 N19-C1'-C2' 119.21 3.631 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 O4'-C1'-N19 111.685 3.485 . 0.114 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.152 0 P-O3'-C3' 123.059 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C4'-C3'-C2' 100.274 -2.426 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 O4'-C1'-N19 111.712 3.512 . 0.593 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 C4'-C3'-C2' 99.415 -3.285 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.283 -3.417 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 1 O4'-C1'-N19 112.86 4.66 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ' U' . . . . . 0.445 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.138 0 C3'-C2'-C1' 104.049 2.833 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ' G' . . . . . 0.445 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.539 2.259 0 O4'-C1'-N19 111.523 3.323 . 0.47 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.173 0 C4'-C3'-C2' 99.944 -2.756 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.986 1 O4'-C1'-N19 112.29 4.09 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 1 C4'-C3'-C2' 96.976 -5.724 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C4'-C3'-C2' 100.117 -2.583 . 0.532 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.813 3.613 . 0.505 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.681 3.481 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.97 0 O4'-C1'-N19 112.084 3.884 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C4'-C3'-C2' 99.739 -2.961 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.783 1 C5'-C4'-C3' 108.519 -4.654 . 0.932 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 1 C5'-C4'-C3' 109.189 -4.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.637 0 O5'-C5'-C4' 113.346 2.247 . 0.571 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 P-O3'-C3' 123.041 2.784 . 0.746 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 100.141 -2.559 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 99.109 -3.591 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 99.287 -3.413 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 C4'-C3'-C2' 99.102 -3.598 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.196 0 C4'-C3'-C2' 100.242 -2.458 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.071 2.871 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ' U' . . . . . 0.419 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.114 1 O4'-C1'-N19 113.095 4.895 . 0.8 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ' C' . . . . . 0.419 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.449 0 O4'-C1'-N19 112.164 3.964 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 1 O4'-C1'-N19 113.252 5.052 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' ' U' . . . . . 0.409 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C5'-C4'-O4' 113.705 3.218 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' ' U' . . . . . 0.409 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O4'-C1'-N19 111.958 3.758 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 O4'-C1'-N19 112.262 4.062 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.172 -3.528 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 99.273 -3.427 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.57 3.37 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 N19-C1'-C2' 118.339 3.087 . 0.284 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 0 C5'-C4'-O4' 113.318 2.941 . 0.025 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 C4'-C3'-C2' 99.072 -3.628 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 O4'-C1'-N19 111.275 3.075 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C4'-C3'-C2' 99.371 -3.329 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 O4'-C1'-N19 110.79 2.59 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.149 0 O4'-C1'-N19 111.69 3.49 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C4'-C3'-C2' 100.145 -2.555 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O4'-C1'-N19 110.702 2.502 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 O4'-C1'-N19 112.058 3.858 . 0.556 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.491 0 O5'-C5'-C4' 114.551 3.108 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 100.148 -2.552 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 O4'-C1'-N19 111.946 3.746 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 O4'-C1'-N19 111.954 3.754 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 O4'-C1'-N19 111.765 3.565 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.537 0.208 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.1 p -140.75 167.12 22.93 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.844 1.658 . . . . 0.0 111.623 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.92 162.71 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.872 1.669 . . . . 0.0 111.451 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -151.52 150.88 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.011 1.324 . . . . 0.0 111.385 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -155.95 157.12 35.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.91 1.684 . . . . 0.0 110.741 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.19 -171.18 41.85 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.931 1.253 . . . . 0.0 112.924 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -141.12 142.38 34.1 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.324 1.449 . . . . 0.0 110.177 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.6 tttp 48.26 40.29 13.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.001 2.12 . . . . 0.0 113.952 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -78.76 -27.65 44.69 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.99 1.716 . . . . 0.0 109.461 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -143.78 -177.04 5.22 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 127.196 2.198 . . . . 0.0 110.153 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -143.71 -15.8 0.63 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.071 1.748 . . . . 0.0 113.937 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -132.58 165.11 25.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -176.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.01 -173.26 39.19 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 126.0 1.762 . . . . 0.0 112.227 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.73 23.49 2.5 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.767 1.175 . . . . 0.0 115.151 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -137.47 151.15 48.17 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.224 1.409 . . . . 0.0 111.105 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.63 162.73 29.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.036 1.734 . . . . 0.0 111.936 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -149.44 -179.07 6.79 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.505 1.922 . . . . 0.0 110.422 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -4.16 15.58 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.99 -1.069 . . . . 0.0 113.706 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 t -48.28 133.56 15.58 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.145 1.378 . . . . 0.0 110.018 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.256 23.4 tt0 61.39 30.34 18.92 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.15 156.13 4.28 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.836 0.854 . . . . 0.0 111.498 173.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -147.21 147.01 30.02 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.438 1.495 . . . . 0.0 108.091 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -69.78 14.8 0.09 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.847 2.059 . . . . 0.0 114.68 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -127.12 -1.46 6.44 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.856 2.063 . . . . 0.0 113.024 175.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -85.59 169.34 13.63 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.198 0.999 . . . . 0.0 112.003 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.4 t -103.94 118.0 35.65 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.514 1.526 . . . . 0.0 109.985 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -8.73 33.86 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -102.95 -37.63 7.72 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -6.59 9.53 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.272 7.3 ttmm 69.95 9.24 7.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.736 2.014 . . . . 0.0 115.569 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.4 174.05 2.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -132.33 137.84 47.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.576 1.15 . . . . 0.0 111.027 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.87 -9.84 11.32 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.037 1.78 . . . . 0.0 113.32 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -151.8 161.0 43.37 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.815 2.046 . . . . 0.0 110.398 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -98.97 164.45 12.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.748 1.219 . . . . 0.0 110.072 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.07 -35.35 61.96 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.5 -0.75 . . . . 0.0 112.987 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -62.39 -9.49 8.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.876 2.07 . . . . 0.0 112.951 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.58 16.93 3.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.456 2.703 . . . . 0.0 111.841 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t -58.38 122.52 60.34 Favored Pre-proline 0 CA--C 1.55 0.942 0 O-C-N 120.826 -1.171 . . . . 0.0 112.478 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.25 -11.51 30.32 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.609 2.206 . . . . 0.0 113.101 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -90.34 -18.64 25.17 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.559 1.544 . . . . 0.0 112.905 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -66.27 152.66 93.89 Favored Pre-proline 0 N--CA 1.481 1.092 0 CA-C-N 119.669 1.122 . . . . 0.0 113.956 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -81.11 -12.61 11.72 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.681 2.921 . . . . 0.0 114.26 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -146.49 155.65 42.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.034 1.733 . . . . 0.0 111.091 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.416 ' H ' ' HA ' ' A' ' 46' ' ' PRO . . . -175.22 -29.84 0.03 OUTLIER Glycine 0 CA--C 1.545 1.924 0 CA-C-O 116.541 -2.255 . . . . 0.0 117.158 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HA ' ' H ' ' A' ' 45' ' ' GLY . 89.5 Cg_endo -52.25 102.14 0.03 OUTLIER 'Cis proline' 0 C--N 1.357 1.016 0 CA-C-N 121.45 2.625 . . . . 0.0 113.385 -29.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -162.96 149.16 12.28 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.02 2.528 . . . . 0.0 108.555 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.54 177.09 40.39 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 114.526 0.57 . . . . 0.0 114.526 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -79.7 26.88 0.55 Allowed 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 124.761 3.641 . . . . 0.0 115.035 -176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.89 70.56 19.15 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 126.763 2.025 . . . . 0.0 111.591 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.78 162.61 29.61 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.556 2.838 . . . . 0.0 112.525 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.46 -32.91 74.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.742 0.817 . . . . 0.0 112.334 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 t -157.65 -38.45 0.07 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.231 1.413 . . . . 0.0 112.598 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -155.74 164.06 39.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 111.199 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 tp -126.28 6.54 7.07 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.093 1.757 . . . . 0.0 112.457 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 CA--C 1.54 0.559 0 C-N-CA 125.596 1.558 . . . . 0.0 111.474 -179.589 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.197 0 C4'-C3'-C2' 99.647 -3.053 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 C4'-C3'-C2' 99.183 -3.517 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C4'-C3'-C2' 99.934 -2.766 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 1 O4'-C1'-N19 112.261 4.061 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 C4'-C3'-C2' 99.609 -3.091 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 C4'-C3'-C2' 98.896 -3.804 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.153 0 C4'-C3'-C2' 99.369 -3.331 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 O4'-C1'-N19 111.183 2.983 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.147 0 C4'-C3'-C2' 100.342 -2.358 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.256 0 O4'-C1'-N19 112.02 3.82 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.034 1 O4'-C1'-N19 112.258 4.058 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 111.372 3.172 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 0 C4'-C3'-C2' 99.179 -3.521 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 1 C4'-C3'-C2' 98.113 -4.587 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 1 C3'-C2'-C1' 105.771 4.745 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 O4'-C1'-N19 111.975 3.775 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 1 O4'-C1'-N19 112.397 4.197 . 0.174 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 O4'-C1'-N19 110.9 2.7 . 0.103 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.461 3.261 . 0.197 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 C4'-C3'-C2' 99.131 -3.569 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 O4'-C1'-N19 112.206 4.006 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.446 -3.254 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 99.262 -3.438 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 O4'-C1'-N19 112.595 4.395 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C3'-C2'-C1' 103.731 2.479 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 0 C4'-C3'-C2' 99.734 -2.966 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 100.138 -2.562 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 O4'-C1'-N19 111.711 3.511 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 C4'-C3'-C2' 97.385 -5.315 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.196 0 O5'-C5'-C4' 114.244 2.889 . 0.65 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 111.526 3.326 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.222 3.022 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 111.586 3.386 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 100.126 -2.574 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 O4'-C1'-N19 112.022 3.822 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.326 0 C5'-C4'-C3' 111.093 -2.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 O4'-C4'-C3' 108.878 2.413 . 0.446 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.61 0 O4'-C1'-N19 111.815 3.615 . 0.418 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.904 0 C4'-C3'-C2' 99.077 -3.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 C4'-C3'-C2' 98.999 -3.701 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.024 0 C4'-C3'-C2' 99.344 -3.356 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.344 -3.356 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.43 0 C5'-C4'-O4' 112.61 2.436 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 99.4 -3.3 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ' U' . . . . . 0.435 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.199 1 O4'-C1'-N19 113.307 5.107 . 0.715 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ' C' . . . . . 0.435 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.498 1 O4'-C1'-N19 112.254 4.054 . 0.637 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 1 O4'-C1'-N19 113.131 4.931 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' ' U' . . . . . 0.433 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 99.185 -3.515 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' ' U' . . . . . 0.433 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.389 1 O4'-C1'-N19 112.215 4.015 . 0.61 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 112.419 4.219 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C4'-C3'-C2' 100.05 -2.65 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 110.753 2.553 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 111.315 3.115 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 99.141 -3.559 . 0.017 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 98.816 -3.884 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.988 0 C4'-C3'-C2' 99.292 -3.408 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C4'-C3'-C2' 99.523 -3.177 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 C4'-C3'-C2' 99.586 -3.114 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.985 0 O4'-C1'-N19 110.901 2.701 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.161 0 O4'-C1'-N19 111.975 3.775 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.216 0 C4'-C3'-C2' 99.835 -2.865 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 C4'-C3'-C2' 99.91 -2.79 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 O4'-C1'-N19 111.786 3.586 . 0.167 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.846 0 C4'-C3'-C2' 99.928 -2.772 . 0.396 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.56 -3.14 . 0.573 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 111.688 3.488 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 99.331 -3.369 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 O4'-C1'-N19 111.661 3.461 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 120.35 0.119 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.7 m -145.49 146.12 31.34 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.992 1.317 . . . . 0.0 110.568 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -139.74 164.22 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.979 1.711 . . . . 0.0 111.356 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 p -149.98 148.51 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.24 1.416 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -127.34 10.8 6.83 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.917 1.287 . . . . 0.0 114.46 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.55 21.5 2.89 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.359 1.457 . . . . 0.0 114.527 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -139.74 5.54 2.19 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.242 1.417 . . . . 0.0 113.272 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -129.74 8.69 5.35 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.603 1.561 . . . . 0.0 114.585 -177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 47.91 46.21 18.85 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.109 1.763 . . . . 0.0 114.017 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -141.16 152.21 44.49 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.024 1.33 . . . . 0.0 112.391 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.1 ttt-85 -149.88 154.79 38.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.613 1.965 . . . . 0.0 111.289 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.66 157.09 29.19 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.64 1.576 . . . . 0.0 109.661 171.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.73 176.48 48.01 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.452 0.548 . . . . 0.0 113.263 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.2 -162.22 29.72 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.422 1.487 . . . . 0.0 111.161 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.14 107.5 5.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.787 0.835 . . . . 0.0 110.114 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -143.07 30.03 1.45 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.195 2.198 . . . . 0.0 111.802 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -148.92 -3.73 0.44 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.1 ttm105 -137.9 -5.46 1.71 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.311 1.845 . . . . 0.0 113.284 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.9 p -50.26 -23.74 2.45 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.809 2.444 . . . . 0.0 116.481 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -126.51 32.33 5.19 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.474 1.51 . . . . 0.0 111.956 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -119.08 119.07 33.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.267 1.427 . . . . 0.0 109.746 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -137.96 162.86 32.96 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.336 1.854 . . . . 0.0 108.282 176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' HA ' ' H21' ' B' ' 110' ' ' ' G' . 9.3 mpt_? -64.02 -1.62 1.58 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.691 1.997 . . . . 0.0 116.042 -172.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -117.3 13.49 14.59 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.397 1.879 . . . . 0.0 112.998 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -132.64 162.29 31.74 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.674 1.19 . . . . 0.0 113.52 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.5 t -83.05 125.06 31.04 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.841 1.256 . . . . 0.0 113.779 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.65 66.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.267 -0.896 . . . . 0.0 113.362 175.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -87.37 -57.8 2.82 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.216 0.916 . . . . 0.0 112.909 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.6 -6.92 21.18 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 67.71 6.31 4.96 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.544 1.937 . . . . 0.0 114.73 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.91 158.18 36.0 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 110.722 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -94.39 162.36 13.86 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.32 82.06 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.612 1.577 . . . . 0.0 116.437 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -155.33 175.62 13.62 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.794 1.297 . . . . 0.0 112.116 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -117.48 159.71 22.39 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.508 1.923 . . . . 0.0 108.76 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.17 -34.93 33.66 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.61 -20.54 21.57 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.392 1.477 . . . . 0.0 113.834 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.53 18.6 6.87 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.982 2.113 . . . . 0.0 112.694 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.64 124.39 26.0 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -71.65 -12.63 29.24 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.927 2.418 . . . . 0.0 114.56 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -99.12 -2.32 37.28 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -72.13 155.01 92.14 Favored Pre-proline 0 N--CA 1.477 0.909 0 CA-C-N 119.062 0.846 . . . . 0.0 111.938 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.83 -9.9 27.08 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 123.562 2.842 . . . . 0.0 113.795 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -133.36 42.55 3.0 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.097 2.159 . . . . 0.0 112.369 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.26 172.54 30.81 Favored Glycine 0 CA--C 1.544 1.87 0 C-N-CA 125.746 1.641 . . . . 0.0 112.636 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -62.86 168.61 30.51 Favored 'Cis proline' 0 CA--C 1.544 1.019 0 CA-C-N 118.371 1.086 . . . . 0.0 112.449 -27.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -84.56 22.95 1.2 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.529 1.531 . . . . 0.0 115.006 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.45 177.18 21.77 Favored Glycine 0 CA--C 1.544 1.867 0 C-N-CA 126.066 1.793 . . . . 0.0 114.637 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -81.83 28.65 0.55 Allowed 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 124.919 3.746 . . . . 0.0 114.403 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -147.74 156.66 44.73 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 127.344 2.258 . . . . 0.0 111.487 -178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.4 -14.36 33.99 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.139 2.559 . . . . 0.0 113.796 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -148.76 147.47 28.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.034 1.734 . . . . 0.0 110.205 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.4 p -140.87 166.19 25.46 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.06 1.744 . . . . 0.0 111.189 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 m -144.73 157.35 44.22 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.061 1.344 . . . . 0.0 111.836 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.81 3.78 5.42 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.218 1.407 . . . . 0.0 113.852 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 124.91 1.284 . . . . 0.0 111.516 179.699 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 C4'-C3'-C2' 99.555 -3.145 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 0 C4'-C3'-C2' 99.55 -3.15 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 99.563 -3.137 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 1 O4'-C1'-N19 112.412 4.212 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C4'-C3'-C2' 99.486 -3.214 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.131 0 C4'-C3'-C2' 99.057 -3.643 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C4'-C3'-C2' 99.447 -3.253 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.639 -3.061 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 110.823 2.623 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 0 O4'-C1'-N19 112.085 3.885 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 1 O4'-C1'-N19 112.795 4.595 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.27 0 O4'-C1'-N19 112.103 3.903 . 0.594 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 98.813 -3.887 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.969 2 C4'-C3'-C2' 98.332 -4.368 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 1 C3'-C2'-C1' 105.179 4.088 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 110.655 2.455 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 C3'-C2'-C1' 104.849 3.721 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' G' . . . . . 0.492 ' H21' ' HA ' ' A' ' 23' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C4'-C3'-C2' 99.697 -3.003 . 0.293 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 0 C5'-C4'-C3' 110.552 -3.298 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 C5'-C4'-O4' 113.693 3.209 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.995 3.795 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 99.157 -3.543 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C4'-C3'-C2' 99.232 -3.468 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 1 O4'-C1'-N19 112.723 4.523 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ' U' . . . . . 0.425 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.129 0 O4'-C1'-N19 110.704 2.504 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ' G' . . . . . 0.425 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.538 2.124 0 C4'-C3'-C2' 99.694 -3.006 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.026 0 C4'-C3'-C2' 100.012 -2.688 . 0.63 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 1 O4'-C1'-N19 112.362 4.162 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 C4'-C3'-C2' 97.708 -4.992 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.552 0 O5'-C5'-C4' 114.626 3.162 . 0.638 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 O4'-C1'-N19 111.658 3.458 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 O4'-C1'-N19 111.448 3.248 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 O4'-C1'-N19 111.852 3.652 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 C4'-C3'-C2' 100.12 -2.58 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 1 O4'-C1'-N19 112.207 4.007 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 C5'-C4'-C3' 110.783 -3.145 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 O4'-C4'-C3' 109.066 2.547 . 0.438 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.555 1 O4'-C1'-N19 112.217 4.017 . 0.456 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 1 C4'-C3'-C2' 98.273 -4.427 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 C4'-C3'-C2' 99.092 -3.608 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 99.488 -3.212 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 C4'-C3'-C2' 99.181 -3.519 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.405 0 O4'-C1'-N19 110.78 2.58 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 99.518 -3.182 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ' U' . . . . . 0.436 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.242 1 O4'-C1'-N19 113.219 5.019 . 0.747 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ' C' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.433 1 O4'-C1'-N19 112.355 4.155 . 0.593 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 O4'-C1'-N19 113.275 5.075 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' ' U' . . . . . 0.424 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 C4'-C3'-C2' 99.462 -3.238 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' ' U' . . . . . 0.424 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 112.102 3.902 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.926 3.726 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C4'-C3'-C2' 99.625 -3.075 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C4'-C3'-C2' 99.067 -3.633 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 1 O4'-C1'-N19 112.342 4.142 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 2 O4'-C1'-N19 114.677 6.477 . 0.024 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.917 0 C4'-C3'-C2' 98.724 -3.976 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.181 -3.519 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.918 0 O4'-C1'-N19 111.464 3.264 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.036 0 C4'-C3'-C2' 99.412 -3.288 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 110.916 2.716 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.22 0 O4'-C1'-N19 111.573 3.373 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 C4'-C3'-C2' 99.79 -2.91 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.426 3.226 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 1 O4'-C1'-N19 113.196 4.996 OUTLIER-DELTA 0.01 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C3'-C2'-C1' 103.906 2.673 . 0.022 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 O4'-C1'-N19 110.663 2.463 . 0.763 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.047 0 O4'-C1'-N19 111.688 3.488 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.41 -3.29 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 111.715 3.515 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.386 0.136 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.5 p -141.48 164.95 28.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.573 1.549 . . . . 0.0 111.85 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.78 150.42 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.449 1.499 . . . . 0.0 111.192 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.1 t -139.68 32.62 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.65 1.58 . . . . 0.0 110.253 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m 54.92 25.35 6.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.215 1.806 . . . . 0.0 114.87 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.55 29.15 0.22 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.51 1.052 . . . . 0.0 115.366 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -148.2 162.35 39.64 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.932 1.293 . . . . 0.0 112.133 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -148.28 174.96 11.48 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.817 1.647 . . . . 0.0 112.523 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -126.59 4.0 6.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.123 1.369 . . . . 0.0 113.338 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.8 -26.7 36.48 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.089 1.356 . . . . 0.0 113.969 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -64.71 -18.69 65.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.641 1.576 . . . . 0.0 112.625 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -116.54 -35.95 4.1 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.261 1.824 . . . . 0.0 113.198 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.31 -179.18 45.82 Favored Glycine 0 CA--C 1.536 1.366 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.96 172.31 43.86 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.778 1.656 . . . . 0.0 112.921 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -142.74 10.65 1.81 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.553 1.141 . . . . 0.0 113.632 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.95 179.73 7.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.508 1.523 . . . . 0.0 111.838 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -128.74 163.09 25.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.63 1.972 . . . . 0.0 111.63 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 57.63 23.37 9.29 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.528 1.931 . . . . 0.0 114.735 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -48.65 -28.24 3.38 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.593 1.957 . . . . 0.0 115.511 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -133.37 36.63 3.39 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.31 1.444 . . . . 0.0 111.293 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -142.65 93.32 2.51 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.526 1.13 . . . . 0.0 112.087 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -98.36 169.59 9.45 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.986 1.315 . . . . 0.0 110.579 175.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HA ' ' H21' ' B' ' 110' ' ' ' G' . 2.0 mpt_? -61.61 -9.05 5.19 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -176.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -103.58 2.88 33.97 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.525 1.53 . . . . 0.0 113.798 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -112.94 172.57 6.85 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.14 122.9 42.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.484 1.914 . . . . 0.0 110.883 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.17 -19.26 65.89 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -88.66 -42.13 12.19 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.63 -5.03 9.75 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.284 13.4 mptt 68.21 4.39 4.13 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.307 2.243 . . . . 0.0 115.247 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.59 172.76 3.15 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.222 0.919 . . . . 0.0 110.565 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -119.65 159.69 23.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.47 1.108 . . . . 0.0 113.837 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.18 -4.56 65.04 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.37 1.462 . . . . 0.0 114.758 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -153.41 169.64 22.64 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.324 1.849 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -111.27 163.45 13.93 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.794 1.638 . . . . 0.0 109.748 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -37.59 55.02 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -56.87 -18.59 13.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.936 1.695 . . . . 0.0 113.632 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.32 17.27 5.46 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.258 2.223 . . . . 0.0 112.964 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -52.0 125.16 31.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 123.697 0.799 . . . . 0.0 113.131 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.66 -12.89 29.51 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.806 2.337 . . . . 0.0 113.334 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -81.67 -19.79 40.9 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.271 1.028 . . . . 0.0 112.0 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.51 155.03 94.02 Favored Pre-proline 0 N--CA 1.476 0.838 0 CA-C-N 118.686 0.676 . . . . 0.0 112.569 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -71.48 4.43 2.97 Favored 'Trans proline' 0 CA--C 1.548 1.181 0 C-N-CA 123.98 3.12 . . . . 0.0 114.563 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -128.52 30.93 5.08 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.646 1.978 . . . . 0.0 114.024 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.5 173.88 43.2 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 125.236 1.398 . . . . 0.0 113.475 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -59.16 169.81 13.86 Favored 'Cis proline' 0 CA--C 1.545 1.074 0 CA-C-N 118.021 0.91 . . . . 0.0 112.659 -29.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 58.31 -165.84 0.17 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.58 1.552 . . . . 0.0 112.409 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.57 170.02 34.01 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.461 1.029 . . . . 0.0 114.009 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -77.57 48.61 2.64 Favored 'Trans proline' 0 CA--C 1.548 1.178 1 C-N-CA 125.609 4.206 . . . . 0.0 113.592 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -138.45 150.62 66.99 Favored Pre-proline 0 N--CA 1.479 1.022 0 C-N-CA 125.677 1.591 . . . . 0.0 112.023 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.49 170.64 17.99 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.49 2.793 . . . . 0.0 112.623 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -144.54 153.62 42.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.366 1.466 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.8 p -66.69 -12.3 57.84 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.501 1.521 . . . . 0.0 115.004 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 t -150.21 165.33 33.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.082 1.753 . . . . 0.0 110.732 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -148.48 175.27 11.28 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.556 1.542 . . . . 0.0 112.704 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 126.08 1.752 . . . . 0.0 111.096 -179.571 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.137 0 C4'-C3'-C2' 99.516 -3.184 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 C4'-C3'-C2' 99.576 -3.124 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 99.52 -3.18 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 1 O4'-C1'-N19 112.216 4.016 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 99.478 -3.222 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 C4'-C3'-C2' 98.892 -3.808 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.081 0 C4'-C3'-C2' 99.317 -3.383 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.011 2.811 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 110.018 -3.655 . 0.522 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 O4'-C1'-N19 112.158 3.958 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.901 1 O4'-C1'-N19 112.865 4.665 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.284 0 O4'-C1'-N19 111.953 3.753 . 0.596 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.079 -3.621 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . 0.414 " H3'" " H5'" ' B' ' 107' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.092 1 O4'-C1'-N19 112.248 4.048 . 0.718 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . 0.414 " H5'" " H3'" ' B' ' 106' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C3'-C2'-C1' 104.518 3.354 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C3'-C2'-C1' 103.439 2.154 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 1 O4'-C1'-N19 112.324 4.124 OUTLIER-DELTA 0.01 3g . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' G' . . . . . 0.516 ' H21' ' HA ' ' A' ' 23' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 O4'-C1'-N19 112.061 3.861 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.442 0 O4'-C1'-N19 111.307 3.107 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C5'-C4'-O4' 113.359 2.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.994 3.794 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C4'-C3'-C2' 99.619 -3.081 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C4'-C3'-C2' 99.492 -3.208 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 1 O4'-C1'-N19 112.671 4.471 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ' U' . . . . . 0.412 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C3'-C2'-C1' 103.782 2.536 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ' G' . . . . . 0.412 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-C2' 99.943 -2.757 . 0.498 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.205 0 O4'-C1'-N19 110.786 2.586 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 111.964 3.764 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 C4'-C3'-C2' 97.339 -5.361 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.463 0 O5'-C5'-C4' 114.544 3.103 . 0.602 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 O4'-C1'-N19 111.881 3.681 . 0.537 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 111.965 3.765 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 1 O4'-C1'-N19 112.441 4.241 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.113 0 O4'-C1'-N19 111.46 3.26 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.015 2 C4'-C3'-C2' 98.56 -4.14 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.326 0 C5'-C4'-C3' 110.067 -3.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.553 0 O5'-C5'-C4' 113.633 2.452 . 0.701 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C3'-C2'-C1' 103.764 2.516 . 0.904 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 100.188 -2.512 . 0.04 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 98.926 -3.774 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C4'-C3'-C2' 99.208 -3.492 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.339 -3.361 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.399 0 C5'-C4'-O4' 112.645 2.46 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.278 -3.422 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ' U' . . . . . 0.439 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 113.345 5.145 . 0.731 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ' C' . . . . . 0.439 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.478 1 O4'-C1'-N19 112.281 4.081 . 0.676 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 1 O4'-C1'-N19 113.223 5.023 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' ' U' . . . . . 0.403 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C4'-C3'-C2' 99.237 -3.463 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' ' U' . . . . . 0.403 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 O4'-C1'-N19 112.203 4.003 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 O4'-C1'-N19 111.977 3.777 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.413 -3.287 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 O4'-C1'-N19 110.733 2.533 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 103.952 2.724 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.586 2 O4'-C1'-N19 115.806 7.606 OUTLIER-DELTA 0.089 3b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.971 0 O4'-C1'-N19 111.115 2.915 . 0.019 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C4'-C3'-C2' 99.093 -3.607 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 O4'-C1'-N19 111.257 3.057 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.382 -3.318 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 O4'-C1'-N19 110.934 2.734 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.112 0 O4'-C1'-N19 111.863 3.663 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C4'-C3'-C2' 99.657 -3.043 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 O4'-C1'-N19 111.273 3.073 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 O4'-C1'-N19 112.15 3.95 . 0.104 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.991 -2.709 . 0.355 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 100.049 -2.651 . 0.767 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.106 0 O4'-C1'-N19 112.011 3.811 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 111.792 3.592 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.87 3.67 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 111.256 0.095 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.5 p -126.85 -3.64 6.48 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.095 1.358 . . . . 0.0 114.501 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.2 m -141.83 166.93 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.215 1.806 . . . . 0.0 111.136 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.7 t -120.79 30.28 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 124.808 1.243 . . . . 0.0 111.731 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -62.37 154.12 29.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.85 1.66 . . . . 0.0 113.46 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.57 -17.44 0.13 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -138.79 173.42 11.59 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.395 1.478 . . . . 0.0 111.77 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -138.85 165.08 27.98 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.076 1.75 . . . . 0.0 111.752 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -133.73 175.32 9.56 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.769 1.628 . . . . 0.0 112.161 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -146.57 164.87 31.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.877 1.671 . . . . 0.0 112.006 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -150.66 156.87 42.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.191 1.396 . . . . 0.0 112.719 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -135.67 3.45 3.01 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.293 1.437 . . . . 0.0 113.511 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.97 -165.63 35.28 Favored Glycine 0 CA--C 1.535 1.286 0 O-C-N 120.965 -1.084 . . . . 0.0 113.987 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.45 -176.24 33.33 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.537 1.542 . . . . 0.0 112.981 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -124.75 5.05 8.14 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.733 1.213 . . . . 0.0 113.645 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -150.84 159.17 44.72 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.269 1.428 . . . . 0.0 111.505 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -138.5 172.51 12.78 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.234 2.213 . . . . 0.0 110.411 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -76.05 36.52 0.14 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 126.391 1.876 . . . . 0.0 112.924 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.0 m -47.01 107.93 0.13 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.126 2.17 . . . . 0.0 112.71 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 51.71 32.7 9.77 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.271 1.828 . . . . 0.0 114.551 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 tt -65.77 111.24 3.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.692 0.797 . . . . 0.0 109.596 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -139.84 151.2 45.5 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.021 2.128 . . . . 0.0 108.517 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HA ' ' H21' ' B' ' 110' ' ' ' G' . 21.3 mmt-85 -66.36 2.18 1.34 Allowed 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -175.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -113.9 9.72 17.55 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.794 1.638 . . . . 0.0 112.345 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -128.4 164.16 23.3 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.905 1.282 . . . . 0.0 114.219 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.57 123.45 35.87 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 113.987 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.99 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -92.92 -41.1 10.23 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -121.96 -4.67 9.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.285 13.7 mptt 65.89 13.52 9.07 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 114.863 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.38 174.32 5.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.179 -0.951 . . . . 0.0 111.021 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 155.13 28.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.5 1.52 . . . . 0.0 112.968 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.98 -3.87 70.82 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.411 1.482 . . . . 0.0 115.547 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -153.43 175.49 13.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.505 1.522 . . . . 0.0 111.616 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -117.71 164.27 15.24 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.445 1.898 . . . . 0.0 109.622 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.2 57.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.064 0.946 . . . . 0.0 112.705 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -54.18 -18.34 3.72 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.116 2.167 . . . . 0.0 113.976 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -133.3 15.34 4.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.333 2.253 . . . . 0.0 113.231 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.8 122.97 36.84 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.664 1.186 . . . . 0.0 113.702 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.37 -14.69 31.2 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.836 2.358 . . . . 0.0 112.857 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -82.95 -12.65 57.14 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.951 1.3 . . . . 0.0 112.647 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -61.73 147.4 89.11 Favored Pre-proline 0 N--CA 1.48 1.05 0 CA-C-N 119.409 1.004 . . . . 0.0 112.866 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.05 148.11 9.94 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.529 3.486 . . . . 0.0 115.226 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -148.8 151.74 35.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.149 1.78 . . . . 0.0 110.33 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.38 168.71 53.17 Favored Glycine 0 CA--C 1.544 1.887 0 C-N-CA 123.576 0.608 . . . . 0.0 113.803 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.35 166.86 54.11 Favored 'Cis proline' 0 CA--C 1.542 0.887 0 CA-C-N 117.911 0.856 . . . . 0.0 112.886 26.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -138.1 165.65 26.09 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.871 1.668 . . . . 0.0 111.616 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.44 176.08 47.71 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.995 1.283 . . . . 0.0 113.036 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -74.18 67.42 5.17 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 125.183 3.922 . . . . 0.0 112.44 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -135.53 147.97 63.87 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 125.919 1.687 . . . . 0.0 111.562 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.41 150.64 70.57 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.195 2.597 . . . . 0.0 113.1 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -129.68 -20.55 3.21 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.812 1.645 . . . . 0.0 112.265 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -161.5 163.12 30.5 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.954 2.502 . . . . 0.0 108.737 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -152.41 159.76 43.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.888 1.275 . . . . 0.0 112.21 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -143.04 173.55 11.46 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.16 1.384 . . . . 0.0 112.35 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.472 0.635 0 C-N-CA 125.16 1.384 . . . . 0.0 110.719 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.246 0 C4'-C3'-C2' 99.722 -2.978 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 98.991 -3.709 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 C5'-C4'-O4' 113.015 2.725 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 0 O4'-C1'-N19 111.999 3.799 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 99.625 -3.075 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C4'-C3'-C2' 98.946 -3.754 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.11 0 C4'-C3'-C2' 99.305 -3.395 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 0 O4'-C1'-N19 111.24 3.04 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 110.647 2.447 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 O4'-C1'-N19 112.173 3.973 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.999 1 O4'-C1'-N19 112.427 4.227 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.287 0 C4'-C3'-C2' 99.513 -3.187 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.304 -3.396 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.674 3.474 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C3'-C2'-C1' 104.774 3.638 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C5'-C4'-O4' 112.772 2.552 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C3'-C2'-C1' 105.073 3.97 OUTLIER-DELTA 0.01 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' G' . . . . . 0.555 ' H21' ' HA ' ' A' ' 23' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 C4'-C3'-C2' 99.492 -3.208 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.332 0 O4'-C1'-N19 110.837 2.637 . 0.012 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.269 -3.431 . 0.0 OUTLIER '7D dist 3d' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 1 O4'-C1'-N19 112.275 4.075 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 99.405 -3.295 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 C4'-C3'-C2' 99.396 -3.304 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 1 O4'-C1'-N19 112.7 4.5 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ' U' . . . . . 0.449 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.537 2.087 0 C3'-C2'-C1' 104.029 2.81 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ' G' . . . . . 0.449 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.538 2.146 0 C4'-C3'-C2' 99.766 -2.934 . 0.482 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 110.834 2.634 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 O4'-C1'-N19 112.499 4.299 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 1 C4'-C3'-C2' 97.458 -5.242 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.331 0 O5'-C5'-C4' 114.612 3.152 . 0.605 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O4'-C1'-N19 111.88 3.68 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 O4'-C1'-N19 111.958 3.758 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 1 O4'-C1'-N19 112.314 4.114 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 C4'-C3'-C2' 99.818 -2.882 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.96 1 C5'-C4'-C3' 108.975 -4.35 . 0.912 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.312 1 C5'-C4'-C3' 109.017 -4.322 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.609 0 P-O3'-C3' 122.189 2.074 . 0.57 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 1 O4'-C1'-N19 113.051 4.851 . 0.756 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.383 0 C4'-C3'-C2' 100.183 -2.517 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 99.111 -3.589 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 C4'-C3'-C2' 99.366 -3.334 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 O4'-C1'-N19 111.746 3.546 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.468 0 O4'-C1'-N19 110.85 2.65 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.84 -2.86 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ' U' . . . . . 0.431 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 O4'-C1'-N19 113.46 5.26 . 0.757 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ' C' . . . . . 0.431 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.632 1 O4'-C1'-N19 112.696 4.496 . 0.607 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.136 1 O4'-C1'-N19 113.066 4.866 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' ' U' . . . . . 0.44 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 C4'-C3'-C2' 99.086 -3.614 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' ' U' . . . . . 0.44 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.336 1 O4'-C1'-N19 112.329 4.129 . 0.686 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 1 C4'-C3'-C2' 98.529 -4.171 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 C4'-C3'-C2' 99.628 -3.072 . 0.647 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 O4'-C1'-N19 111.941 3.741 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 111.624 3.424 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.608 2 O4'-C1'-N19 116.135 7.935 . 0.124 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 99.173 -3.527 . 0.458 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.992 0 C4'-C3'-C2' 98.878 -3.822 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 O4'-C1'-N19 111.62 3.42 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 98.856 -3.844 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 100.279 -2.421 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.186 0 O4'-C1'-N19 111.606 3.406 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 99.814 -2.886 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.505 3.305 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 112.024 3.824 . 0.156 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 1 O4'-C1'-N19 112.335 4.135 . 0.526 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 99.556 -3.144 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 99.472 -3.228 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 C4'-C3'-C2' 99.513 -3.187 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 O4'-C1'-N19 111.573 3.373 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.568 0.223 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.1 p -140.65 163.35 33.11 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.742 1.617 . . . . 0.0 111.688 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 p -139.33 -0.98 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.704 1.202 . . . . 0.0 113.826 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.83 146.19 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.85 1.26 . . . . 0.0 112.505 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -154.12 167.82 28.57 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.436 1.494 . . . . 0.0 112.151 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.54 9.24 0.08 OUTLIER Glycine 0 CA--C 1.538 1.488 0 N-CA-C 116.376 1.31 . . . . 0.0 116.376 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 53.94 18.31 1.61 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.688 1.995 . . . . 0.0 115.658 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -154.65 154.01 32.25 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.036 1.734 . . . . 0.0 111.172 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -139.68 157.71 45.33 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.378 1.871 . . . . 0.0 110.069 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -139.83 -20.57 0.9 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 48.06 31.92 2.69 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.796 2.038 . . . . 0.0 115.162 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 51.47 -101.99 0.11 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.246 2.218 . . . . 0.0 114.154 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.11 -144.64 10.69 Favored Glycine 0 CA--C 1.533 1.164 0 O-C-N 121.198 -0.939 . . . . 0.0 113.166 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.32 -168.67 40.0 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.818 1.675 . . . . 0.0 111.762 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -69.12 -41.93 76.73 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.797 -0.825 . . . . 0.0 110.529 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -167.74 143.71 4.02 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.447 2.699 . . . . 0.0 108.767 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -112.7 -171.49 1.87 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.832 1.653 . . . . 0.0 111.943 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 66.52 23.13 10.5 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 126.992 2.117 . . . . 0.0 114.231 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -48.49 -29.32 4.03 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.574 1.95 . . . . 0.0 114.45 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -122.64 44.23 2.69 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.211 1.805 . . . . 0.0 111.834 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.63 160.91 38.78 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.967 1.707 . . . . 0.0 109.977 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -154.58 155.85 35.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.122 1.769 . . . . 0.0 108.805 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -62.09 -6.01 2.66 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -117.72 13.81 14.26 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.221 1.809 . . . . 0.0 112.831 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -120.69 164.17 16.96 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.699 1.199 . . . . 0.0 113.631 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -88.3 124.38 33.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.988 1.315 . . . . 0.0 113.108 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.97 -7.06 31.74 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -105.89 -35.68 7.24 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.001 1.32 . . . . 0.0 114.267 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.51 -6.76 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.283 62.3 mttm 66.63 11.39 8.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.724 2.01 . . . . 0.0 116.296 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.56 158.36 21.3 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.935 0.789 . . . . 0.0 109.605 170.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -104.37 143.85 32.43 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.274 1.029 . . . . 0.0 111.815 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.89 -7.43 35.8 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.343 1.449 . . . . 0.0 115.342 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -149.88 172.84 14.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.299 1.44 . . . . 0.0 111.7 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -116.08 162.73 16.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.185 1.794 . . . . 0.0 110.07 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.65 -40.87 41.08 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -66.51 -3.16 5.65 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.323 1.449 . . . . 0.0 114.321 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.5 10.95 4.08 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.931 2.492 . . . . 0.0 111.752 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.98 116.1 9.56 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.68 -21.6 70.02 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 123.69 2.927 . . . . 0.0 114.493 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -74.51 -21.41 59.57 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.71 0.804 . . . . 0.0 112.945 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.8 139.3 90.9 Favored Pre-proline 0 N--CA 1.473 0.718 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.11 -11.49 17.77 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.719 2.946 . . . . 0.0 113.927 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -146.68 176.77 9.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.703 2.001 . . . . 0.0 111.989 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.15 -33.43 0.1 OUTLIER Glycine 0 CA--C 1.544 1.886 0 CA-C-O 117.086 -1.952 . . . . 0.0 116.496 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -47.24 162.34 2.4 Favored 'Cis proline' 0 C--N 1.357 0.99 0 CA-C-N 120.512 2.156 . . . . 0.0 114.264 -28.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -142.73 145.67 33.57 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.679 1.592 . . . . 0.0 110.595 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.44 -57.9 0.2 Allowed Glycine 0 CA--C 1.538 1.504 0 CA-C-O 118.472 -1.182 . . . . 0.0 113.467 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.28 158.5 56.07 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.838 2.359 . . . . 0.0 111.594 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.72 156.56 33.18 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.953 1.701 . . . . 0.0 111.3 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -71.17 -9.48 25.57 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 123.299 2.666 . . . . 0.0 115.084 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -144.29 125.64 14.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.444 1.097 . . . . 0.0 111.844 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.5 m -137.39 -21.43 1.17 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 126.258 1.823 . . . . 0.0 111.979 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p -135.12 175.77 9.27 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.677 1.991 . . . . 0.0 111.304 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -149.35 175.74 11.17 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.04 1.336 . . . . 0.0 112.597 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 125.123 1.369 . . . . 0.0 112.118 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.126 0 C4'-C3'-C2' 99.683 -3.017 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 0 C4'-C3'-C2' 99.614 -3.086 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.747 -2.953 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.092 1 O4'-C1'-N19 112.418 4.218 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.575 -3.125 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 0 C4'-C3'-C2' 98.899 -3.801 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 O4'-C1'-N19 111.785 3.585 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 111.246 3.046 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 C4'-C3'-C2' 100.016 -2.684 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.172 0 O4'-C1'-N19 111.989 3.789 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.053 1 O4'-C1'-N19 112.714 4.514 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.238 0 O4'-C1'-N19 112.032 3.832 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 C4'-C3'-C2' 98.403 -4.297 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.893 2 C4'-C3'-C2' 98.349 -4.351 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 O4'-C1'-N19 112.044 3.844 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C3'-C2'-C1' 104.76 3.622 . 0.725 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C3'-C2'-C1' 104.898 3.775 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 111.038 2.838 . 0.159 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 C5'-C4'-O4' 112.623 2.445 . 0.104 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.672 -3.028 . 0.178 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 1 O4'-C1'-N19 112.274 4.074 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C4'-C3'-C2' 99.471 -3.229 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C4'-C3'-C2' 99.335 -3.365 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 1 O4'-C1'-N19 112.909 4.709 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ' U' . . . . . 0.434 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.537 2.109 0 O4'-C1'-N19 111.416 3.216 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ' G' . . . . . 0.434 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.541 2.352 0 C4'-C3'-C2' 99.537 -3.163 . 0.47 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C4'-C3'-C2' 99.704 -2.996 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.013 1 O4'-C1'-N19 112.545 4.345 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 1 C4'-C3'-C2' 97.094 -5.606 . 0.635 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 C5'-C4'-O4' 112.651 2.465 . 0.629 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 O4'-C1'-N19 111.67 3.47 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 111.836 3.636 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 1 O4'-C1'-N19 112.38 4.18 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 99.861 -2.839 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.871 1 C5'-C4'-C3' 108.988 -4.341 . 0.942 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.336 0 C5'-C4'-C3' 111.797 -2.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 O4'-C4'-C3' 108.516 2.154 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 O4'-C1'-N19 114.297 6.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 1 O5'-C5'-C4' 116.172 4.266 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C4'-C3'-C2' 99.061 -3.639 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 99.299 -3.401 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C4'-C3'-C2' 99.321 -3.379 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.371 0 C5'-C4'-O4' 112.487 2.348 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 99.807 -2.893 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ' U' . . . . . 0.461 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.251 1 O4'-C1'-N19 113.279 5.079 . 0.755 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ' C' . . . . . 0.461 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.473 0 O4'-C1'-N19 112.041 3.841 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 O4'-C1'-N19 113.151 4.951 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C4'-C3'-C2' 99.017 -3.683 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 141' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.032 -3.668 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 111.889 3.689 . 0.831 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.645 -3.055 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 O4'-C1'-N19 111.353 3.153 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.296 3.096 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O4'-C1'-N19 111.459 3.259 . 0.03 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O5'-C5'-C4' 113.959 2.685 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 C4'-C3'-C2' 99.147 -3.553 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 O4'-C1'-N19 111.343 3.143 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.056 0 C4'-C3'-C2' 99.431 -3.269 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 O4'-C1'-N19 110.777 2.577 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 111.644 3.444 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C4'-C3'-C2' 99.918 -2.782 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 111.109 2.909 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 O4'-C1'-N19 112.184 3.984 . 0.122 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 0 C3'-C2'-C1' 103.605 2.339 . 0.363 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 100.034 -2.666 . 0.73 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 O4'-C1'-N19 111.723 3.523 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 111.572 3.372 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 O4'-C1'-N19 111.599 3.399 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.9 t -99.27 122.57 42.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.387 1.475 . . . . 0.0 112.113 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.09 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -82.8 -50.97 8.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -111.73 -4.35 14.7 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 67.81 12.22 8.73 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.184 1.794 . . . . 0.0 114.998 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.78 164.56 12.03 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.958 0.903 . . . . 0.0 110.348 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -117.26 124.66 49.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.598 1.559 . . . . 0.0 110.05 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.08 -13.18 4.69 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.97 1.748 . . . . 0.0 115.03 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -151.75 172.96 15.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.893 1.677 . . . . 0.0 111.464 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.53 162.14 15.98 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.898 1.679 . . . . 0.0 110.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -37.24 40.95 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -54.73 -21.72 11.82 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.079 1.752 . . . . 0.0 113.878 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.2 19.33 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.798 2.039 . . . . 0.0 112.995 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.61 126.8 65.09 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo . . . . . 0 C--N 1.354 0.844 0 C-N-CA 123.207 2.604 . . . . 0.0 113.025 -179.699 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -95.29 121.51 37.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.998 -1.064 . . . . 0.0 110.661 174.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.71 -23.28 67.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -89.82 -39.6 12.99 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.0 -4.41 8.53 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.27 14.0 mptt 67.67 9.67 7.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.501 1.921 . . . . 0.0 115.251 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.5 176.85 2.66 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.43 1.014 . . . . 0.0 110.354 170.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -124.66 149.43 47.16 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.05 -1.031 . . . . 0.0 112.701 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.08 -2.68 55.16 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.261 1.41 . . . . 0.0 114.731 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -153.33 169.15 23.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.85 1.66 . . . . 0.0 111.126 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -112.55 166.9 10.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.948 1.699 . . . . 0.0 110.025 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.36 47.66 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.931 0.893 . . . . 0.0 113.086 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.7 -12.73 3.17 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.389 1.876 . . . . 0.0 114.651 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -133.25 14.03 4.19 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.123 2.169 . . . . 0.0 112.64 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -56.96 124.01 62.63 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 124.286 1.034 . . . . 0.0 113.28 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.353 0.793 0 C-N-CA 122.989 2.459 . . . . 0.0 113.33 -178.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 CA--C 1.546 0.807 0 CA-C-O 120.732 0.301 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -84.11 125.32 32.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.936 1.294 . . . . 0.0 112.851 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.5 75.74 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.853 -1.154 . . . . 0.0 113.162 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -75.93 -42.61 48.22 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.72 -9.27 8.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.403 63.2 mttp 66.0 14.88 9.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.441 1.896 . . . . 0.0 116.082 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -73.89 167.37 21.6 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -112.04 161.03 16.91 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.66 66.96 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.387 1.47 . . . . 0.0 114.654 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.51 174.95 13.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 111.604 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -117.56 163.26 16.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.503 1.921 . . . . 0.0 109.544 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.35 48.54 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -60.34 -14.08 16.58 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.573 1.949 . . . . 0.0 113.065 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.31 13.36 5.58 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.837 2.455 . . . . 0.0 112.67 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -53.93 129.49 57.02 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.598 1.159 . . . . 0.0 113.425 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--N 1.354 0.848 0 C-N-CA 123.124 2.55 . . . . 0.0 113.444 -177.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.3 t -100.45 125.08 46.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.401 1.88 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.46 67.99 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -80.31 -38.61 30.33 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -126.16 -6.19 6.62 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.6 mptp? 69.9 1.86 3.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.543 2.337 . . . . 0.0 115.116 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -65.71 171.42 4.25 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.14 0.882 . . . . 0.0 111.158 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -116.38 164.24 14.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.819 1.247 . . . . 0.0 113.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.36 -1.49 76.55 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.565 1.555 . . . . 0.0 114.398 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -157.38 171.33 20.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.227 1.811 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -113.72 167.22 10.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.76 1.624 . . . . 0.0 109.185 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -39.05 59.35 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.12 -13.59 12.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.204 1.802 . . . . 0.0 113.775 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -130.82 17.24 5.19 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.66 2.384 . . . . 0.0 111.834 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -57.95 127.47 79.48 Favored Pre-proline 0 CA--C 1.55 0.96 0 O-C-N 121.613 -0.679 . . . . 0.0 112.553 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.351 0.698 0 C-N-CA 122.444 2.096 . . . . 0.0 112.774 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -99.32 119.31 37.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.801 1.24 . . . . 0.0 111.488 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -26.38 68.61 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -83.85 -43.61 15.17 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.88 -3.45 11.19 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm 69.54 6.95 5.97 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.6 1.96 . . . . 0.0 115.008 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.51 173.39 3.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.27 0.941 . . . . 0.0 111.521 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -126.64 139.51 53.11 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 111.188 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.07 -8.96 23.08 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.935 1.731 . . . . 0.0 114.109 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -152.1 171.07 18.45 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.556 1.942 . . . . 0.0 110.706 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -113.14 167.25 10.7 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.678 1.591 . . . . 0.0 110.618 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.91 -41.0 64.0 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 112.781 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -62.21 -6.13 2.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.693 1.997 . . . . 0.0 114.146 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -135.34 11.26 3.51 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.547 2.339 . . . . 0.0 111.921 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.57 129.87 81.09 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.907 1.283 . . . . 0.0 114.084 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo . . . . . 0 C--N 1.354 0.839 0 C-N-CA 123.574 2.849 . . . . 0.0 113.61 -178.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.4 t -103.94 118.0 35.65 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.514 1.526 . . . . 0.0 109.985 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -8.73 33.86 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -102.95 -37.63 7.72 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -6.59 9.53 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.272 7.3 ttmm 69.95 9.24 7.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.736 2.014 . . . . 0.0 115.569 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.4 174.05 2.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -132.33 137.84 47.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.576 1.15 . . . . 0.0 111.027 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.87 -9.84 11.32 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.037 1.78 . . . . 0.0 113.32 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -151.8 161.0 43.37 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.815 2.046 . . . . 0.0 110.398 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -98.97 164.45 12.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.748 1.219 . . . . 0.0 110.072 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.07 -35.35 61.96 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.5 -0.75 . . . . 0.0 112.987 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -62.39 -9.49 8.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.876 2.07 . . . . 0.0 112.951 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.58 16.93 3.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.456 2.703 . . . . 0.0 111.841 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t -58.38 122.52 60.34 Favored Pre-proline 0 CA--C 1.55 0.942 0 O-C-N 120.826 -1.171 . . . . 0.0 112.478 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo . . . . . 0 C--N 1.353 0.794 0 C-N-CA 122.609 2.206 . . . . 0.0 113.101 -178.123 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.5 t -83.05 125.06 31.04 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.841 1.256 . . . . 0.0 113.779 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.65 66.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.267 -0.896 . . . . 0.0 113.362 175.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -87.37 -57.8 2.82 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.216 0.916 . . . . 0.0 112.909 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.6 -6.92 21.18 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 67.71 6.31 4.96 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.544 1.937 . . . . 0.0 114.73 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.91 158.18 36.0 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 110.722 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -94.39 162.36 13.86 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.32 82.06 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.612 1.577 . . . . 0.0 116.437 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -155.33 175.62 13.62 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.794 1.297 . . . . 0.0 112.116 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -117.48 159.71 22.39 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.508 1.923 . . . . 0.0 108.76 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.17 -34.93 33.66 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.61 -20.54 21.57 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.392 1.477 . . . . 0.0 113.834 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.53 18.6 6.87 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.982 2.113 . . . . 0.0 112.694 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.64 124.39 26.0 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo . . . . . 0 C--N 1.352 0.757 0 C-N-CA 122.927 2.418 . . . . 0.0 114.56 -174.306 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.14 122.9 42.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.484 1.914 . . . . 0.0 110.883 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.17 -19.26 65.89 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -88.66 -42.13 12.19 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.63 -5.03 9.75 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.284 13.4 mptt 68.21 4.39 4.13 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.307 2.243 . . . . 0.0 115.247 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.59 172.76 3.15 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.222 0.919 . . . . 0.0 110.565 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -119.65 159.69 23.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.47 1.108 . . . . 0.0 113.837 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.18 -4.56 65.04 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.37 1.462 . . . . 0.0 114.758 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -153.41 169.64 22.64 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.324 1.849 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -111.27 163.45 13.93 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.794 1.638 . . . . 0.0 109.748 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -37.59 55.02 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -56.87 -18.59 13.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.936 1.695 . . . . 0.0 113.632 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.32 17.27 5.46 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.258 2.223 . . . . 0.0 112.964 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -52.0 125.16 31.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 123.697 0.799 . . . . 0.0 113.131 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo . . . . . 0 C--N 1.353 0.811 0 C-N-CA 122.806 2.337 . . . . 0.0 113.334 -177.5 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.57 123.45 35.87 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 113.987 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.99 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -92.92 -41.1 10.23 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -121.96 -4.67 9.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.285 13.7 mptt 65.89 13.52 9.07 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 114.863 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.38 174.32 5.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.179 -0.951 . . . . 0.0 111.021 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 155.13 28.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.5 1.52 . . . . 0.0 112.968 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.98 -3.87 70.82 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.411 1.482 . . . . 0.0 115.547 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -153.43 175.49 13.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.505 1.522 . . . . 0.0 111.616 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -117.71 164.27 15.24 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.445 1.898 . . . . 0.0 109.622 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.2 57.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.064 0.946 . . . . 0.0 112.705 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -54.18 -18.34 3.72 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.116 2.167 . . . . 0.0 113.976 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -133.3 15.34 4.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.333 2.253 . . . . 0.0 113.231 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.8 122.97 36.84 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.664 1.186 . . . . 0.0 113.702 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo . . . . . 0 C--N 1.352 0.76 0 C-N-CA 122.836 2.358 . . . . 0.0 112.857 -178.777 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -88.3 124.38 33.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.988 1.315 . . . . 0.0 113.108 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.97 -7.06 31.74 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -105.89 -35.68 7.24 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.001 1.32 . . . . 0.0 114.267 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.51 -6.76 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.283 62.3 mttm 66.63 11.39 8.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.724 2.01 . . . . 0.0 116.296 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.56 158.36 21.3 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.935 0.789 . . . . 0.0 109.605 170.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -104.37 143.85 32.43 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.274 1.029 . . . . 0.0 111.815 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.89 -7.43 35.8 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.343 1.449 . . . . 0.0 115.342 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -149.88 172.84 14.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.299 1.44 . . . . 0.0 111.7 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -116.08 162.73 16.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.185 1.794 . . . . 0.0 110.07 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.65 -40.87 41.08 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -66.51 -3.16 5.65 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.323 1.449 . . . . 0.0 114.321 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.5 10.95 4.08 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.931 2.492 . . . . 0.0 111.752 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.98 116.1 9.56 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo . . . . . 0 C--N 1.355 0.919 0 C-N-CA 123.69 2.927 . . . . 0.0 114.493 178.576 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.228 0.061 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -134.87 1.37 3.02 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.262 1.025 . . . . 0.0 113.477 -177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.1 t 64.45 -25.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 128.196 2.598 . . . . 0.0 115.64 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 t 62.81 29.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 126.46 1.904 . . . . 0.0 111.925 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -147.92 158.41 44.03 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.904 2.082 . . . . 0.0 110.516 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.67 7.68 4.91 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 115.959 1.144 . . . . 0.0 115.959 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 49.46 31.83 4.28 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.23 1.812 . . . . 0.0 114.813 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -55.81 141.16 39.74 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.017 1.327 . . . . 0.0 112.216 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -113.36 -20.75 11.23 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.285 1.834 . . . . 0.0 112.721 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 53.23 -130.64 2.19 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.409 1.884 . . . . 0.0 112.066 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 62.45 17.73 9.76 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.101 1.76 . . . . 0.0 114.003 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -150.58 157.82 43.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.074 2.149 . . . . 0.0 110.216 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.26 -29.14 0.35 Allowed Glycine 0 CA--C 1.535 1.314 0 N-CA-C 116.004 1.162 . . . . 0.0 116.004 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.63 -22.81 0.25 Allowed Glycine 0 CA--C 1.536 1.395 0 CA-C-N 118.379 1.09 . . . . 0.0 115.262 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.45 163.03 30.99 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.862 1.665 . . . . 0.0 110.733 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 mtp-105 -129.59 32.67 4.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.06 1.344 . . . . 0.0 113.425 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -75.54 -170.24 1.21 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.514 1.926 . . . . 0.0 111.39 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -63.14 -2.94 1.5 Allowed 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 m -49.48 -16.49 0.21 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.867 2.467 . . . . 0.0 117.299 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -129.3 33.33 4.55 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.457 1.503 . . . . 0.0 112.132 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -129.51 161.38 30.58 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.541 1.536 . . . . 0.0 113.32 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -153.5 164.91 37.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.671 2.788 . . . . 0.0 107.412 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.0 0.82 1.68 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -113.7 8.05 17.4 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.747 1.619 . . . . 0.0 112.506 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.21 169.22 9.01 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.9 t -99.27 122.57 42.62 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.387 1.475 . . . . 0.0 112.113 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.09 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -82.8 -50.97 8.09 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 p -111.73 -4.35 14.7 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 67.81 12.22 8.73 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.184 1.794 . . . . 0.0 114.998 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.78 164.56 12.03 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.958 0.903 . . . . 0.0 110.348 173.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -117.26 124.66 49.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.598 1.559 . . . . 0.0 110.05 175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.08 -13.18 4.69 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.97 1.748 . . . . 0.0 115.03 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -151.75 172.96 15.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.893 1.677 . . . . 0.0 111.464 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.53 162.14 15.98 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.898 1.679 . . . . 0.0 110.773 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.76 -37.24 40.95 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -54.73 -21.72 11.82 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.079 1.752 . . . . 0.0 113.878 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.2 19.33 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.798 2.039 . . . . 0.0 112.995 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -55.61 126.8 65.09 Favored Pre-proline 0 CA--C 1.554 1.105 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.98 -7.26 20.73 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.207 2.604 . . . . 0.0 113.025 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -108.48 6.96 26.64 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.972 1.709 . . . . 0.0 112.748 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -122.01 135.88 25.75 Favored Pre-proline 0 N--CA 1.479 0.977 0 CA-C-N 119.447 1.021 . . . . 0.0 112.585 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo -52.84 162.77 2.34 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 124.289 3.326 . . . . 0.0 115.436 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -132.91 164.2 27.46 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.065 1.746 . . . . 0.0 111.48 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.41 176.69 29.74 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.171 0.891 . . . . 0.0 114.9 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.03 -23.44 10.21 Favored 'Cis proline' 0 CA--C 1.542 0.876 0 C-N-CA 124.562 -1.016 . . . . 0.0 114.653 29.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -137.12 28.59 2.82 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 125.484 1.513 . . . . 0.0 113.168 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.4 -168.82 24.53 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 126.688 2.09 . . . . 0.0 112.045 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.6 167.13 23.61 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.336 2.691 . . . . 0.0 111.857 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.2 mtp-105 -127.76 80.62 71.7 Favored Pre-proline 0 N--CA 1.478 0.959 0 C-N-CA 125.063 1.345 . . . . 0.0 111.901 -178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -73.69 172.27 16.13 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 123.747 2.965 . . . . 0.0 112.284 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -131.84 12.39 4.8 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.902 1.281 . . . . 0.0 114.152 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.6 p -141.37 161.72 37.21 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.162 1.785 . . . . 0.0 111.493 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.1 p -155.39 168.12 28.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.304 1.442 . . . . 0.0 112.071 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.7 mt -140.89 159.51 42.06 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.181 1.792 . . . . 0.0 110.881 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 125.609 1.564 . . . . 0.0 110.867 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.129 0 O4'-C1'-N19 111.111 2.911 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.086 0 C4'-C3'-C2' 99.532 -3.168 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C5'-C4'-O4' 112.886 2.633 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 O4'-C1'-N19 111.667 3.467 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.282 0 C4'-C3'-C2' 99.472 -3.228 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.999 1 C4'-C3'-C2' 98.665 -4.035 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.168 0 C4'-C3'-C2' 99.435 -3.265 . 0.491 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 0 O4'-C1'-N19 110.848 2.648 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 0 C4'-C3'-C2' 100.003 -2.697 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 1 O4'-C1'-N19 112.212 4.012 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.037 1 O4'-C1'-N19 112.699 4.499 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 O4'-C1'-N19 111.668 3.468 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 C4'-C3'-C2' 98.944 -3.756 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 1 C4'-C3'-C2' 98.381 -4.319 . 0.546 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 C3'-C2'-C1' 104.43 3.255 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 110.919 2.719 . 0.06 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 C5'-C4'-O4' 114.012 3.437 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 1 C3'-C2'-C1' 105.427 4.363 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.458 0 P-O3'-C3' 124.08 3.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.206 0 C4'-C3'-C2' 99.515 -3.185 . 0.346 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 1 O4'-C1'-N19 112.488 4.288 . 0.711 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.172 0 C4'-C3'-C2' 99.26 -3.44 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.277 -3.423 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 1 O4'-C1'-N19 112.731 4.531 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ' U' . . . . . 0.405 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 C3'-C2'-C1' 103.694 2.438 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ' G' . . . . . 0.405 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 C4'-C3'-C2' 99.783 -2.917 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 O4'-C1'-N19 110.969 2.769 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 1 O4'-C1'-N19 112.477 4.277 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 1 C4'-C3'-C2' 97.656 -5.044 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.432 0 O5'-C5'-C4' 114.762 3.259 . 0.616 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 O4'-C1'-N19 111.975 3.775 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 O4'-C1'-N19 112.042 3.842 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 1 O4'-C1'-N19 112.247 4.047 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 99.381 -3.319 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.905 0 O4'-C1'-N19 111.901 3.701 . 0.869 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.361 0 C3'-C2'-C1' 104.639 3.488 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O5'-C5'-C4' 114.823 3.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C3'-C2'-C1' 104.063 2.848 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 100.354 -2.346 . 0.072 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 C4'-C3'-C2' 99.033 -3.667 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C4'-C3'-C2' 99.164 -3.536 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 O4'-C1'-N19 111.888 3.688 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.446 0 O4'-C1'-N19 110.813 2.613 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 C4'-C3'-C2' 99.807 -2.893 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ' U' . . . . . 0.468 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.272 1 O4'-C1'-N19 113.247 5.047 . 0.785 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ' C' . . . . . 0.468 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.541 2.377 0 O4'-C1'-N19 112.125 3.925 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.067 1 O4'-C1'-N19 113.064 4.864 . 0.649 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ' U' . . . . . 0.439 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.078 -3.622 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' ' U' . . . . . 0.439 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 112.168 3.968 . 0.573 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.813 3.613 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.355 0 C4'-C3'-C2' 99.81 -2.89 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C3'-C2'-C1' 104.432 3.258 . 0.571 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 110.937 2.737 . 0.231 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 C5'-C4'-O4' 112.328 2.235 . 0.506 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.141 0 O5'-C5'-C4' 115.633 3.881 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 99.146 -3.554 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.171 2.971 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 C4'-C3'-C2' 99.393 -3.307 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.026 0 O4'-C1'-N19 110.902 2.702 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.136 1 O4'-C1'-N19 112.324 4.124 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.34 1 O4'-C1'-N19 112.214 4.014 . 0.691 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 O4'-C1'-N19 112.101 3.901 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 1 O4'-C1'-N19 114.378 6.178 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' ' U' . . . . . 0.437 " H2'" ' C8 ' ' B' ' 157' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 O4'-C1'-N19 111.642 3.442 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' ' G' . . . . . 0.437 ' C8 ' " H2'" ' B' ' 156' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 C4'-C3'-C2' 100.102 -2.598 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.255 0 O4'-C1'-N19 111.853 3.653 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 O4'-C1'-N19 111.688 3.488 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 O4'-C1'-N19 111.608 3.408 . 0.824 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.324 0.106 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.1 m -140.65 141.76 35.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.058 1.343 . . . . 0.0 110.437 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.69 162.49 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.909 1.684 . . . . 0.0 111.232 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.7 161.34 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.654 1.582 . . . . 0.0 111.376 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -153.11 150.23 28.89 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.937 1.295 . . . . 0.0 111.052 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.66 174.47 36.69 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.089 1.328 . . . . 0.0 113.027 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -133.71 -0.32 3.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.589 1.155 . . . . 0.0 114.079 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 tptm 57.21 8.12 0.53 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 127.526 2.331 . . . . 0.0 115.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 62.42 173.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.609 2.363 . . . . 0.0 113.649 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -123.26 142.83 50.51 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.046 1.338 . . . . 0.0 111.249 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -131.67 12.63 4.89 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.507 1.523 . . . . 0.0 113.703 -174.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -138.59 -6.72 1.5 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.518 1.527 . . . . 0.0 113.778 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.5 -175.31 47.53 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.03 1.3 . . . . 0.0 112.822 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.51 177.51 47.85 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 123.981 0.801 . . . . 0.0 114.424 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 60.1 170.18 0.08 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.594 2.357 . . . . 0.0 116.777 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -144.94 -13.05 0.55 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.224 1.81 . . . . 0.0 113.477 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.58 -173.64 4.58 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.967 1.707 . . . . 0.0 111.927 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 62.94 -2.37 0.41 Allowed 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 127.373 2.269 . . . . 0.0 116.384 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.9 m -48.7 111.69 0.5 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.838 1.655 . . . . 0.0 112.465 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 50.19 39.75 20.41 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.048 1.739 . . . . 0.0 114.361 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.27 91.16 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.275 1.03 . . . . 0.0 111.937 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -61.48 145.72 50.89 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.397 1.879 . . . . 0.0 111.929 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' HA ' ' H21' ' B' ' 110' ' ' ' G' . 4.9 mpt_? -64.9 0.76 1.08 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.304 1.841 . . . . 0.0 115.369 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -115.08 2.41 14.16 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.458 1.503 . . . . 0.0 113.071 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -94.7 164.86 12.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.65 1.58 . . . . 0.0 111.863 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -95.29 121.51 37.02 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.998 -1.064 . . . . 0.0 110.661 174.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.71 -23.28 67.3 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -89.82 -39.6 12.99 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.3 p -123.0 -4.41 8.53 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.27 14.0 mptt 67.67 9.67 7.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.501 1.921 . . . . 0.0 115.251 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.5 176.85 2.66 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.43 1.014 . . . . 0.0 110.354 170.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -124.66 149.43 47.16 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.05 -1.031 . . . . 0.0 112.701 -178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.08 -2.68 55.16 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.261 1.41 . . . . 0.0 114.731 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -153.33 169.15 23.79 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.85 1.66 . . . . 0.0 111.126 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -112.55 166.9 10.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.948 1.699 . . . . 0.0 110.025 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.36 47.66 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.931 0.893 . . . . 0.0 113.086 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.7 -12.73 3.17 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.389 1.876 . . . . 0.0 114.651 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -133.25 14.03 4.19 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.123 2.169 . . . . 0.0 112.64 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t -56.96 124.01 62.63 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 124.286 1.034 . . . . 0.0 113.28 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.67 -15.34 40.95 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.989 2.459 . . . . 0.0 113.33 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -79.18 -20.94 47.15 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.218 1.007 . . . . 0.0 112.658 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -64.8 143.23 98.74 Favored Pre-proline 0 N--CA 1.479 1.003 0 CA-C-N 119.273 0.942 . . . . 0.0 112.206 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -39.21 93.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.356 0.964 1 C-N-CA 126.534 4.823 . . . . 0.0 116.942 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 49.09 29.44 2.49 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 127.004 2.121 . . . . 0.0 114.345 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.84 -166.97 22.93 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 126.138 1.828 . . . . 0.0 113.467 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -56.32 137.04 10.22 Favored 'Cis proline' 0 CA--C 1.539 0.727 0 CA-C-N 117.649 0.725 . . . . 0.0 112.724 -26.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -154.85 158.31 39.18 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.014 1.326 . . . . 0.0 113.233 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.02 49.48 0.04 OUTLIER Glycine 0 CA--C 1.54 1.631 0 CA-C-O 118.204 -1.331 . . . . 0.0 115.687 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -68.91 109.63 2.19 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.135 2.557 . . . . 0.0 111.033 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -140.41 152.77 67.5 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 126.271 1.828 . . . . 0.0 112.039 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -70.45 166.12 29.52 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.4 2.733 . . . . 0.0 112.179 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -139.23 161.12 38.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.362 1.465 . . . . 0.0 111.604 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.0 m -57.96 139.64 53.95 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.445 1.498 . . . . 0.0 112.493 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.3 p -150.39 166.63 29.49 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.273 1.429 . . . . 0.0 112.145 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.8 tp -139.43 -11.79 1.2 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.869 1.268 . . . . 0.0 113.98 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 N--CA 1.472 0.633 0 C-N-CA 125.593 1.557 . . . . 0.0 110.55 179.734 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 C4'-C3'-C2' 99.714 -2.986 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 C4'-C3'-C2' 99.358 -3.342 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 99.575 -3.125 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 112.115 3.915 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C4'-C3'-C2' 99.661 -3.039 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 99.375 -3.325 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.11 0 C4'-C3'-C2' 99.302 -3.398 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 0 C4'-C3'-C2' 99.89 -2.81 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.125 0 C4'-C3'-C2' 100.026 -2.674 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.954 3.754 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.026 1 O4'-C1'-N19 112.741 4.541 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.277 0 O4'-C1'-N19 111.821 3.621 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 C4'-C3'-C2' 99.115 -3.585 . 0.711 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.831 2 O4'-C1'-N19 112.617 4.417 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.8 0 C3'-C2'-C1' 104.73 3.589 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 O4'-C1'-N19 111.797 3.597 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.211 1 C1'-O4'-C4' 105.787 -4.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' G' . . . . . 0.446 ' H21' ' HA ' ' A' ' 23' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.476 0 C4'-C3'-C2' 99.404 -3.296 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.981 0 C5'-C4'-C3' 110.104 -3.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 111.144 2.944 . 0.29 3g . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 O4'-C1'-N19 111.809 3.609 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 99.31 -3.39 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 C4'-C3'-C2' 99.135 -3.565 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 1 O4'-C1'-N19 112.917 4.717 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ' U' . . . . . 0.457 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.141 0 O4'-C1'-N19 111.285 3.085 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ' G' . . . . . 0.457 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.54 2.31 0 C4'-C3'-C2' 99.646 -3.054 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 C4'-C3'-C2' 99.78 -2.92 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 1 O4'-C1'-N19 112.36 4.16 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 1 C4'-C3'-C2' 96.912 -5.788 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.135 0 C4'-C3'-C2' 100.002 -2.698 . 0.519 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 O4'-C1'-N19 111.86 3.66 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C1'-N19 111.678 3.478 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 O4'-C1'-N19 111.95 3.75 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C4'-C3'-C2' 100.032 -2.668 . 0.767 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.824 1 C5'-C4'-C3' 108.777 -4.482 . 0.899 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.288 0 C5'-C4'-C3' 110.085 -3.61 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.591 0 O5'-C5'-C4' 113.67 2.478 . 0.61 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C3'-C2'-C1' 103.606 2.34 . 0.833 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 100.151 -2.549 . 0.021 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 C4'-C3'-C2' 99.036 -3.664 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 C4'-C3'-C2' 99.294 -3.406 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.033 0 C4'-C3'-C2' 99.141 -3.559 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.223 0 C5'-C4'-O4' 112.657 2.47 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 C4'-C3'-C2' 99.798 -2.902 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 1 O4'-C1'-N19 112.916 4.716 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 0 O4'-C1'-N19 112.101 3.901 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 1 O4'-C1'-N19 112.806 4.606 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' ' U' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C4'-C3'-C2' 99.165 -3.535 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' ' U' . . . . . 0.441 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.139 2 C4'-C3'-C2' 98.561 -4.139 . 0.554 1L . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 O4'-C1'-N19 111.71 3.51 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 C4'-C3'-C2' 100.044 -2.656 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.683 0 C4'-C3'-C2' 100.176 -2.524 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O4'-C1'-N19 110.08 1.88 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 O4'-C1'-N19 112.146 3.946 . 0.05 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.876 0 C4'-C3'-C2' 99.229 -3.471 . 0.218 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.022 0 C4'-C3'-C2' 99.039 -3.661 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 O4'-C1'-N19 111.224 3.024 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.967 0 C4'-C3'-C2' 99.44 -3.26 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 O4'-C1'-N19 110.703 2.503 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 O4'-C1'-N19 111.264 3.064 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 0 C4'-C3'-C2' 99.74 -2.96 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C1'-N19 111.619 3.419 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 1 O4'-C1'-N19 112.723 4.523 . 0.114 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 1 O4'-C1'-N19 112.396 4.196 . 0.469 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.609 -3.091 . 0.474 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.234 0 O4'-C1'-N19 111.833 3.633 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 O4'-C1'-N19 111.563 3.363 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 O4'-C1'-N19 111.383 3.183 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 119.531 -0.271 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 p -139.38 160.98 38.56 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.777 1.631 . . . . 0.0 111.485 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -130.55 11.24 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 124.594 1.157 . . . . 0.0 113.893 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t 67.84 -51.4 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 128.79 2.836 . . . . 0.0 113.414 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 m -80.31 3.04 22.32 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.873 1.669 . . . . 0.0 113.654 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.35 176.64 44.56 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.459 1.504 . . . . 0.0 113.368 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -146.06 168.19 21.54 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.978 1.711 . . . . 0.0 112.546 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -144.05 145.83 32.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.744 1.618 . . . . 0.0 111.084 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -134.67 12.51 3.72 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.249 1.42 . . . . 0.0 113.714 -177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.0 156.63 30.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.217 1.407 . . . . 0.0 114.114 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -149.08 146.2 27.61 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.948 1.699 . . . . 0.0 111.067 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -157.05 153.68 28.3 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.844 1.658 . . . . 0.0 109.77 177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.43 160.44 28.57 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.957 1.265 . . . . 0.0 112.998 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.25 37.69 0.06 OUTLIER Glycine 0 CA--C 1.534 1.267 0 N-CA-C 115.703 1.041 . . . . 0.0 115.703 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -146.65 144.49 29.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.525 1.13 . . . . 0.0 111.371 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.2 ttp85 -140.67 45.92 1.8 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.369 1.468 . . . . 0.0 111.307 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -138.6 161.46 37.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.928 1.691 . . . . 0.0 112.356 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -94.44 -9.04 36.81 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.965 1.706 . . . . 0.0 112.764 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 m -48.63 -17.16 0.15 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.812 2.845 . . . . 0.0 117.396 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -128.49 29.13 5.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.764 1.226 . . . . 0.0 113.296 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 77.3 mt -97.7 161.88 13.55 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 122.523 1.154 . . . . 0.0 112.534 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -149.88 137.32 19.87 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.347 2.659 . . . . 0.0 106.412 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -69.02 6.85 0.81 Allowed 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.935 1.458 . . . . 0.0 114.935 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -127.21 26.23 6.07 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 127.699 2.4 . . . . 0.0 110.683 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -132.69 153.37 51.19 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.789 2.036 . . . . 0.0 111.589 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -84.11 125.32 32.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.936 1.294 . . . . 0.0 112.851 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.5 75.74 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.853 -1.154 . . . . 0.0 113.162 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -75.93 -42.61 48.22 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -121.72 -9.27 8.89 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.403 63.2 mttp 66.0 14.88 9.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.441 1.896 . . . . 0.0 116.082 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -73.89 167.37 21.6 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -112.04 161.03 16.91 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.66 66.96 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.387 1.47 . . . . 0.0 114.654 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -153.51 174.95 13.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 111.604 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -117.56 163.26 16.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.503 1.921 . . . . 0.0 109.544 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.35 48.54 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -60.34 -14.08 16.58 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.573 1.949 . . . . 0.0 113.065 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.31 13.36 5.58 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.837 2.455 . . . . 0.0 112.67 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.3 t -53.93 129.49 57.02 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 124.598 1.159 . . . . 0.0 113.425 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.19 -18.56 56.26 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.124 2.55 . . . . 0.0 113.444 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -113.57 14.97 19.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.016 1.326 . . . . 0.0 113.877 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -54.55 134.87 63.29 Favored Pre-proline 0 N--CA 1.478 0.954 0 CA-C-N 118.915 0.78 . . . . 0.0 112.833 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.26 -6.76 19.15 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 123.427 2.752 . . . . 0.0 115.399 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -136.2 149.85 48.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.592 1.557 . . . . 0.0 111.635 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.22 -116.04 1.97 Allowed Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.143 1.83 . . . . 0.0 109.957 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -94.82 144.36 7.91 Favored 'Cis proline' 0 CA--C 1.542 0.894 0 CA-C-N 119.167 1.483 . . . . 0.0 111.535 26.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.31 40.94 5.74 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 126.128 1.771 . . . . 0.0 113.509 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.88 61.76 0.14 Allowed Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.742 1.163 . . . . 0.0 113.738 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -77.77 38.37 0.67 Allowed 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 125.138 3.892 . . . . 0.0 113.588 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -151.97 136.26 10.11 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 126.118 1.767 . . . . 0.0 111.015 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -70.67 165.93 30.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.158 2.572 . . . . 0.0 112.247 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -139.13 160.16 40.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.085 1.354 . . . . 0.0 111.649 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 m -141.28 148.57 40.02 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.654 1.582 . . . . 0.0 110.259 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -56.45 144.4 31.3 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.831 1.252 . . . . 0.0 112.922 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -150.58 175.45 11.9 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.399 1.48 . . . . 0.0 112.403 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 CA--C 1.54 0.596 0 C-N-CA 125.496 1.518 . . . . 0.0 110.745 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.263 0 C4'-C3'-C2' 99.994 -2.706 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 C4'-C3'-C2' 99.597 -3.103 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 100.131 -2.569 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 O4'-C1'-N19 111.419 3.219 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C4'-C3'-C2' 99.668 -3.032 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 1 C4'-C3'-C2' 98.524 -4.176 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 O4'-C1'-N19 111.659 3.459 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.061 0 C4'-C3'-C2' 99.877 -2.823 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.099 0 C4'-C3'-C2' 100.166 -2.534 . 0.76 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 O4'-C1'-N19 111.809 3.609 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.942 3.742 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C4'-C3'-C2' 99.181 -3.519 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 0 O4'-C1'-N19 111.382 3.182 . 0.674 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.749 -2.951 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 P-O3'-C3' 123.813 3.428 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 1 P-O3'-C3' 125.066 4.472 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C3'-C2'-C1' 104.535 3.373 . 0.01 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O4'-C1'-N19 111.539 3.339 . 0.032 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.031 0 O4'-C1'-N19 110.211 2.011 . 0.518 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 C4'-C3'-C2' 98.953 -3.747 . 0.699 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 O4'-C1'-N19 112.094 3.894 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.247 0 O4'-C1'-N19 111.596 3.396 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C4'-C3'-C2' 99.656 -3.044 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 1 O4'-C1'-N19 112.44 4.24 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ' U' . . . . . 0.435 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C3'-C2'-C1' 104.137 2.93 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ' G' . . . . . 0.435 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.539 2.256 0 C4'-C3'-C2' 99.953 -2.747 . 0.443 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 111.111 2.911 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.024 1 O4'-C1'-N19 112.476 4.276 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 1 C4'-C3'-C2' 97.473 -5.227 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.558 0 O5'-C5'-C4' 114.816 3.297 . 0.593 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 O4'-C1'-N19 111.837 3.637 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.964 3.764 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.997 1 O4'-C1'-N19 112.369 4.169 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C4'-C3'-C2' 99.787 -2.913 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.857 1 C5'-C4'-C3' 108.645 -4.57 . 0.924 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.303 0 C4'-C3'-C2' 100.074 -2.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.419 0 C1'-O4'-C4' 106.723 -3.196 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 O4'-C1'-N19 111.5 3.3 . 0.505 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.533 0 C4'-C3'-C2' 99.952 -2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 99.1 -3.6 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.317 -3.383 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 0 O4'-C1'-N19 111.868 3.668 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.446 0 O4'-C1'-N19 110.804 2.604 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 C4'-C3'-C2' 99.435 -3.265 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ' U' . . . . . 0.46 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.227 1 O4'-C1'-N19 113.294 5.094 . 0.758 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ' C' . . . . . 0.46 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.448 1 O4'-C1'-N19 112.235 4.035 . 0.681 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 1 O4'-C1'-N19 113.366 5.166 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.116 0 C4'-C3'-C2' 99.026 -3.674 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 0 O4'-C1'-N19 111.961 3.761 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 0 C4'-C3'-C2' 99.015 -3.685 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 C4'-C3'-C2' 99.933 -2.767 . 0.65 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C3'-C2'-C1' 104.343 3.158 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.371 0 O4'-C1'-N19 111.395 3.195 . 0.34 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.6 1 O4'-C1'-N19 114.096 5.896 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 C4'-C3'-C2' 99.596 -3.104 . 0.119 2h . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.039 0 C4'-C3'-C2' 99.608 -3.092 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.157 0 C4'-C3'-C2' 99.374 -3.326 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.956 0 C4'-C3'-C2' 99.705 -2.995 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 100.285 -2.415 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.178 0 O4'-C1'-N19 111.835 3.635 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 C4'-C3'-C2' 98.961 -3.739 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 O4'-C1'-N19 111.664 3.464 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 113.801 5.601 . 0.754 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 0 O4'-C4'-C3' 109.072 2.551 . 0.409 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 0 C4'-C3'-C2' 100.219 -2.481 . 0.482 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 O4'-C1'-N19 110.771 2.571 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 C4'-C3'-C2' 99.805 -2.895 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.044 2.844 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.347 0.118 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.0 m -139.4 138.96 36.99 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.246 1.418 . . . . 0.0 110.24 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.6 13.86 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 125.031 1.332 . . . . 0.0 114.024 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.1 t -134.55 129.18 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.412 1.485 . . . . 0.0 109.87 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 m -67.3 159.23 29.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.031 1.333 . . . . 0.0 113.876 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.24 164.73 36.01 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.311 1.434 . . . . 0.0 112.386 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -154.66 136.27 14.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.266 1.027 . . . . 0.0 111.701 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -135.27 -0.61 2.69 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.096 1.758 . . . . 0.0 113.971 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -142.92 177.78 8.12 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.772 2.029 . . . . 0.0 110.795 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -135.22 162.67 31.88 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.323 1.449 . . . . 0.0 112.039 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -139.08 159.67 41.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.406 1.882 . . . . 0.0 110.52 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -125.58 -17.84 5.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.526 1.13 . . . . 0.0 113.369 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.68 175.47 21.97 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.917 1.246 . . . . 0.0 114.217 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.61 -7.83 0.06 OUTLIER Glycine 0 CA--C 1.542 1.731 0 C-N-CA 127.202 2.335 . . . . 0.0 114.065 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.55 158.83 43.41 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.777 2.031 . . . . 0.0 110.849 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.3 mmm-85 -141.96 -9.43 0.9 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.019 1.728 . . . . 0.0 114.631 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -117.47 13.94 14.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.188 1.395 . . . . 0.0 113.973 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 38.36 63.13 0.89 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.754 2.422 . . . . 0.0 114.005 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.6 m 53.34 22.53 2.82 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.152 1.781 . . . . 0.0 114.501 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 54.63 35.25 23.26 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.127 1.771 . . . . 0.0 112.32 -173.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.15 163.36 6.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.873 1.269 . . . . 0.0 112.865 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -138.3 160.9 38.28 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.957 2.103 . . . . 0.0 107.739 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.5 mmt-85 -72.87 17.24 0.12 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.593 -1.317 . . . . 0.0 114.339 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -122.17 4.75 9.78 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 127.981 2.512 . . . . 0.0 111.756 174.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -119.77 167.04 12.47 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.953 1.301 . . . . 0.0 114.173 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.3 t -100.45 125.08 46.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.401 1.88 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.46 67.99 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -80.31 -38.61 30.33 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.4 p -126.16 -6.19 6.62 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.282 1.6 mptp? 69.9 1.86 3.64 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.543 2.337 . . . . 0.0 115.116 177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -65.71 171.42 4.25 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.14 0.882 . . . . 0.0 111.158 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -116.38 164.24 14.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.819 1.247 . . . . 0.0 113.853 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.36 -1.49 76.55 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.565 1.555 . . . . 0.0 114.398 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -157.38 171.33 20.58 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.227 1.811 . . . . 0.0 110.754 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -113.72 167.22 10.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.76 1.624 . . . . 0.0 109.185 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.13 -39.05 59.35 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -60.12 -13.59 12.74 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.204 1.802 . . . . 0.0 113.775 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -130.82 17.24 5.19 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.66 2.384 . . . . 0.0 111.834 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -57.95 127.47 79.48 Favored Pre-proline 0 CA--C 1.55 0.96 0 O-C-N 121.613 -0.679 . . . . 0.0 112.553 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.95 -14.88 39.49 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.444 2.096 . . . . 0.0 112.774 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -84.46 -13.41 52.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.795 1.238 . . . . 0.0 113.177 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -70.55 158.7 87.19 Favored Pre-proline 0 N--CA 1.478 0.93 0 CA-C-N 119.087 0.858 . . . . 0.0 112.772 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -65.24 168.11 14.95 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.098 2.532 . . . . 0.0 111.06 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.4 mtm-85 55.1 40.62 31.92 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.649 1.18 . . . . 0.0 111.904 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.02 -162.21 33.63 Favored Glycine 0 CA--C 1.542 1.775 0 C-N-CA 125.932 1.729 . . . . 0.0 114.319 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -59.56 168.89 16.81 Favored 'Cis proline' 0 CA--C 1.543 0.964 0 N-CA-C 113.989 0.727 . . . . 0.0 113.989 -26.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -140.84 163.32 33.24 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.941 2.096 . . . . 0.0 110.1 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.98 -167.19 36.17 Favored Glycine 0 CA--C 1.543 1.836 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.62 172.48 10.38 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 124.733 3.622 . . . . 0.0 114.907 -178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -145.46 155.68 53.45 Favored Pre-proline 0 N--CA 1.479 1.004 0 C-N-CA 127.459 2.304 . . . . 0.0 111.71 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.66 157.27 1.55 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.976 3.784 . . . . 0.0 115.705 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -143.59 155.31 44.25 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.684 1.594 . . . . 0.0 110.83 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.1 p -129.23 13.61 6.14 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 125.554 1.542 . . . . 0.0 114.595 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -53.77 152.68 5.17 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.134 1.774 . . . . 0.0 114.439 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.55 -1.13 4.93 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.212 1.405 . . . . 0.0 112.275 179.422 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.156 0 C4'-C3'-C2' 99.642 -3.058 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 C4'-C3'-C2' 99.238 -3.462 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 99.67 -3.03 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.06 1 O4'-C1'-N19 112.701 4.501 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.199 0 C4'-C3'-C2' 99.372 -3.328 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C4'-C3'-C2' 98.82 -3.88 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.173 0 O4'-C1'-N19 111.548 3.348 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 0 C4'-C3'-C2' 99.822 -2.878 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 O4'-C1'-N19 110.748 2.548 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.299 0 O4'-C1'-N19 112.154 3.954 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.942 1 O4'-C1'-N19 112.623 4.423 . 0.684 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 O4'-C1'-N19 111.849 3.649 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.111 1 C4'-C3'-C2' 98.672 -4.028 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 1 O4'-C1'-N19 113.013 4.813 . 0.666 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 0 O4'-C1'-N19 111.524 3.324 . 0.0 OUTLIER '7D dist 1t' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.412 0 C4'-C3'-C2' 99.551 -3.149 . 0.378 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.497 0 C3'-C2'-C1' 105.094 3.993 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 110.978 2.778 . 0.225 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.108 0 C4'-C3'-O3' 118.526 3.048 OUTLIER-EPSILON 0.033 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 1 P-O3'-C3' 125.635 4.946 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.105 0 O4'-C1'-N19 111.7 3.5 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 99.776 -2.924 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 C4'-C3'-C2' 99.408 -3.292 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 1 O4'-C1'-N19 112.792 4.592 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ' U' . . . . . 0.406 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.539 2.216 0 C3'-C2'-C1' 104.746 3.606 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ' G' . . . . . 0.406 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.573 0 C4'-C3'-C2' 99.892 -2.808 . 0.496 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 C4'-C3'-C2' 99.872 -2.828 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.057 1 O4'-C1'-N19 112.89 4.69 . 0.737 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 1 C4'-C3'-C2' 97.221 -5.479 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 N19-C1'-C2' 109.701 -2.312 . 0.636 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.008 0 O4'-C1'-N19 111.664 3.464 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.215 0 O4'-C1'-N19 111.497 3.297 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 0 O4'-C1'-N19 112.073 3.873 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 O4'-C1'-N19 111.549 3.349 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.098 0 O4'-C1'-N19 111.894 3.694 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.317 0 C4'-C3'-C2' 100.086 -2.614 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 P-O3'-C3' 123.554 3.211 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 1 O4'-C1'-N19 113.064 4.864 . 0.389 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.117 1 O5'-C5'-C4' 115.947 4.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C4'-C3'-C2' 99.15 -3.55 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.084 0 C4'-C3'-C2' 99.46 -3.24 . 0.747 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.113 0 C4'-C3'-C2' 99.22 -3.48 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.331 0 C4'-C3'-C2' 100.415 -2.285 . 0.859 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.085 0 O4'-C1'-N19 110.856 2.656 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ' U' . . . . . 0.436 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.269 1 O4'-C1'-N19 112.909 4.709 . 0.783 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ' C' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.543 2.504 1 O4'-C1'-N19 112.232 4.032 . 0.666 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.077 1 O4'-C1'-N19 113.008 4.808 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C5'-C4'-O4' 114.084 3.489 . 0.723 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.334 0 C4'-C3'-C2' 98.943 -3.757 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.098 0 C4'-C3'-C2' 98.858 -3.842 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 C4'-C3'-C2' 99.658 -3.042 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C4'-C3'-C2' 99.707 -2.993 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.582 3.382 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 2 O4'-C1'-N19 115.787 7.587 . 0.108 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 C5'-C4'-O4' 113.333 2.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.132 0 C4'-C3'-C2' 98.869 -3.831 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.019 0 O4'-C1'-N19 111.488 3.288 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.024 0 C4'-C3'-C2' 99.377 -3.323 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 110.9 2.7 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.124 0 O4'-C1'-N19 111.89 3.69 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 C4'-C3'-C2' 99.914 -2.786 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.076 0 C4'-C3'-C2' 98.879 -3.821 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 2 O4'-C1'-N19 115.164 6.964 OUTLIER-DELTA 0.389 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.223 0 O4'-C1'-N19 110.594 2.394 . 0.191 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 99.79 -2.91 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.578 3.378 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.072 0 O4'-C1'-N19 111.571 3.371 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.261 0 O4'-C1'-N19 111.693 3.493 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.495 0.188 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.8 t -150.27 171.19 17.35 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.928 1.291 . . . . 0.0 111.638 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.35 144.71 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.914 1.685 . . . . 0.0 111.179 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.2 m -128.92 8.98 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 125.394 1.478 . . . . 0.0 113.871 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -138.43 29.59 2.42 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.056 1.742 . . . . 0.0 111.735 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -172.87 179.57 44.24 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.953 1.74 . . . . 0.0 112.51 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -113.83 -5.11 13.26 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.713 1.205 . . . . 0.0 113.892 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -150.37 153.65 36.39 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.229 1.412 . . . . 0.0 111.084 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -153.03 -42.85 0.1 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.005 1.722 . . . . 0.0 110.801 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -152.14 159.41 43.63 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.837 2.055 . . . . 0.0 109.059 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -56.05 137.68 50.71 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -124.09 -11.82 7.5 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.892 1.677 . . . . 0.0 113.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.04 -22.26 78.44 Favored Glycine 0 CA--C 1.54 1.602 0 CA-C-N 119.122 0.874 . . . . 0.0 115.268 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.73 -176.51 41.19 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.712 1.625 . . . . 0.0 112.074 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -150.06 -41.56 0.13 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -151.88 144.12 23.99 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.458 1.503 . . . . 0.0 110.416 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -58.37 -16.3 14.06 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -120.67 13.35 11.61 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.287 2.235 . . . . 0.0 112.345 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.8 t -51.25 112.58 0.76 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.164 1.386 . . . . 0.0 111.991 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 50.62 27.97 3.24 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.367 1.867 . . . . 0.0 114.748 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.44 133.84 45.06 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.702 1.201 . . . . 0.0 109.635 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -134.19 156.55 48.16 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.111 1.365 . . . . 0.0 110.505 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -67.66 14.88 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 128.197 2.599 . . . . 0.0 114.764 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -125.43 3.6 7.69 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.574 1.949 . . . . 0.0 112.914 175.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -105.79 167.11 10.0 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.601 1.16 . . . . 0.0 113.047 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -99.32 119.31 37.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.801 1.24 . . . . 0.0 111.488 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -26.38 68.61 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -83.85 -43.61 15.17 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -117.88 -3.45 11.19 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm 69.54 6.95 5.97 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.6 1.96 . . . . 0.0 115.008 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.51 173.39 3.38 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.27 0.941 . . . . 0.0 111.521 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -126.64 139.51 53.11 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.187 1.395 . . . . 0.0 111.188 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.07 -8.96 23.08 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.935 1.731 . . . . 0.0 114.109 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -152.1 171.07 18.45 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.556 1.942 . . . . 0.0 110.706 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -113.14 167.25 10.7 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.678 1.591 . . . . 0.0 110.618 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.91 -41.0 64.0 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 112.781 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -62.21 -6.13 2.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.693 1.997 . . . . 0.0 114.146 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -135.34 11.26 3.51 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 127.547 2.339 . . . . 0.0 111.921 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.57 129.87 81.09 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.907 1.283 . . . . 0.0 114.084 -176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -69.68 -9.51 26.33 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.574 2.849 . . . . 0.0 113.61 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -113.06 8.85 18.51 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.594 1.158 . . . . 0.0 113.85 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -108.27 134.31 20.24 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 123.865 0.866 . . . . 0.0 110.522 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -61.12 -23.25 76.91 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.914 2.409 . . . . 0.0 114.438 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -100.01 16.88 22.53 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.263 1.425 . . . . 0.0 113.952 177.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.4 -36.2 34.97 Favored Glycine 0 CA--C 1.544 1.889 0 C-N-CA 126.631 2.062 . . . . 0.0 114.377 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -56.07 165.23 4.16 Favored 'Trans proline' 0 C--N 1.355 0.893 0 CA-C-N 120.028 1.914 . . . . 0.0 113.385 -30.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 149.38 35.53 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.231 1.012 . . . . 0.0 111.723 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.49 58.65 0.17 Allowed Glycine 0 CA--C 1.536 1.402 0 CA-C-O 118.573 -1.126 . . . . 0.0 115.056 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.22 157.46 61.73 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.922 2.415 . . . . 0.0 111.486 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -148.36 135.35 10.41 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 124.692 1.197 . . . . 0.0 111.579 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.3 161.16 45.2 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.08 2.52 . . . . 0.0 111.998 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -153.66 164.73 37.79 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.885 1.274 . . . . 0.0 112.32 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.8 p -142.64 156.19 45.03 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.967 1.707 . . . . 0.0 111.052 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -157.4 172.29 18.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.892 1.277 . . . . 0.0 111.638 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.2 mt -68.67 158.83 33.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.078 1.351 . . . . 0.0 112.333 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.472 0.649 0 C-N-CA 125.208 1.403 . . . . 0.0 110.703 179.438 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.204 0 C4'-C3'-C2' 99.676 -3.024 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C4'-C3'-C2' 99.341 -3.359 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 C4'-C3'-C2' 99.494 -3.206 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.072 1 O4'-C1'-N19 112.618 4.418 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C5'-C4'-O4' 113.316 2.94 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C4'-C3'-C2' 99.034 -3.666 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.217 0 C4'-C3'-C2' 99.24 -3.46 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.159 0 O4'-C1'-N19 111.277 3.077 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.226 0 C5'-C4'-O4' 112.562 2.402 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.157 0 O4'-C1'-N19 112.017 3.817 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 1 O4'-C1'-N19 112.605 4.405 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.208 0 O4'-C1'-N19 111.65 3.45 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C4'-C3'-C2' 98.832 -3.868 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.85 2 O4'-C1'-N19 112.973 4.773 . 0.605 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.733 0 C3'-C2'-C1' 104.885 3.761 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.639 0 C4'-C3'-C2' 99.763 -2.937 . 0.013 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 N19-C1'-C2' 119.21 3.631 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 O4'-C1'-N19 111.685 3.485 . 0.114 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.152 0 P-O3'-C3' 123.059 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 C4'-C3'-C2' 100.274 -2.426 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 O4'-C1'-N19 111.712 3.512 . 0.593 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 0 C4'-C3'-C2' 99.415 -3.285 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 99.283 -3.417 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 1 O4'-C1'-N19 112.86 4.66 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ' U' . . . . . 0.445 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.138 0 C3'-C2'-C1' 104.049 2.833 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ' G' . . . . . 0.445 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.539 2.259 0 O4'-C1'-N19 111.523 3.323 . 0.47 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.173 0 C4'-C3'-C2' 99.944 -2.756 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.986 1 O4'-C1'-N19 112.29 4.09 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 1 C4'-C3'-C2' 96.976 -5.724 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.241 0 C4'-C3'-C2' 100.117 -2.583 . 0.532 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.209 0 O4'-C1'-N19 111.813 3.613 . 0.505 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 111.681 3.481 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.97 0 O4'-C1'-N19 112.084 3.884 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.268 0 C4'-C3'-C2' 99.739 -2.961 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.783 1 C5'-C4'-C3' 108.519 -4.654 . 0.932 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.213 1 C5'-C4'-C3' 109.189 -4.207 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.637 0 O5'-C5'-C4' 113.346 2.247 . 0.571 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 P-O3'-C3' 123.041 2.784 . 0.746 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 100.141 -2.559 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 99.109 -3.591 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 99.287 -3.413 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 0 C4'-C3'-C2' 99.102 -3.598 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.196 0 C4'-C3'-C2' 100.242 -2.458 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 111.071 2.871 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ' U' . . . . . 0.419 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.114 1 O4'-C1'-N19 113.095 4.895 . 0.8 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ' C' . . . . . 0.419 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.449 0 O4'-C1'-N19 112.164 3.964 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 1 O4'-C1'-N19 113.252 5.052 . 0.578 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' ' U' . . . . . 0.409 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.165 0 C5'-C4'-O4' 113.705 3.218 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' ' U' . . . . . 0.409 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O4'-C1'-N19 111.958 3.758 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 1 O4'-C1'-N19 112.262 4.062 . 0.719 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 99.172 -3.528 . 0.631 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 99.273 -3.427 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.599 0 O4'-C1'-N19 111.57 3.37 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 N19-C1'-C2' 118.339 3.087 . 0.284 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.934 0 C5'-C4'-O4' 113.318 2.941 . 0.025 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 C4'-C3'-C2' 99.072 -3.628 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.118 0 O4'-C1'-N19 111.275 3.075 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C4'-C3'-C2' 99.371 -3.329 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.291 0 O4'-C1'-N19 110.79 2.59 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.149 0 O4'-C1'-N19 111.69 3.49 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C4'-C3'-C2' 100.145 -2.555 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O4'-C1'-N19 110.702 2.502 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 O4'-C1'-N19 112.058 3.858 . 0.556 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.491 0 O5'-C5'-C4' 114.551 3.108 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 100.148 -2.552 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 O4'-C1'-N19 111.946 3.746 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 O4'-C1'-N19 111.954 3.754 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 O4'-C1'-N19 111.765 3.565 . 0.826 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.537 0.208 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.1 p -140.75 167.12 22.93 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.844 1.658 . . . . 0.0 111.623 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.92 162.71 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 125.872 1.669 . . . . 0.0 111.451 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -151.52 150.88 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.011 1.324 . . . . 0.0 111.385 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -155.95 157.12 35.72 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.91 1.684 . . . . 0.0 110.741 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 167.19 -171.18 41.85 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.931 1.253 . . . . 0.0 112.924 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -141.12 142.38 34.1 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.324 1.449 . . . . 0.0 110.177 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.6 tttp 48.26 40.29 13.88 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.001 2.12 . . . . 0.0 113.952 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -78.76 -27.65 44.69 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.99 1.716 . . . . 0.0 109.461 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -143.78 -177.04 5.22 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 127.196 2.198 . . . . 0.0 110.153 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -143.71 -15.8 0.63 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.071 1.748 . . . . 0.0 113.937 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -132.58 165.11 25.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -176.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.01 -173.26 39.19 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 126.0 1.762 . . . . 0.0 112.227 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.73 23.49 2.5 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.767 1.175 . . . . 0.0 115.151 178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -137.47 151.15 48.17 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.224 1.409 . . . . 0.0 111.105 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.63 162.73 29.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.036 1.734 . . . . 0.0 111.936 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 ttt85 -149.44 -179.07 6.79 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.505 1.922 . . . . 0.0 110.422 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -4.16 15.58 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.99 -1.069 . . . . 0.0 113.706 173.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 t -48.28 133.56 15.58 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.145 1.378 . . . . 0.0 110.018 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.256 23.4 tt0 61.39 30.34 18.92 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.15 156.13 4.28 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.836 0.854 . . . . 0.0 111.498 173.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -147.21 147.01 30.02 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.438 1.495 . . . . 0.0 108.091 174.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -69.78 14.8 0.09 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.847 2.059 . . . . 0.0 114.68 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -127.12 -1.46 6.44 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.856 2.063 . . . . 0.0 113.024 175.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -85.59 169.34 13.63 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.198 0.999 . . . . 0.0 112.003 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.4 t -103.94 118.0 35.65 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.514 1.526 . . . . 0.0 109.985 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.22 -8.73 33.86 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -102.95 -37.63 7.72 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -120.97 -6.59 9.53 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.272 7.3 ttmm 69.95 9.24 7.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.736 2.014 . . . . 0.0 115.569 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.4 174.05 2.93 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -132.33 137.84 47.57 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.576 1.15 . . . . 0.0 111.027 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.87 -9.84 11.32 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 126.037 1.78 . . . . 0.0 113.32 -177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -151.8 161.0 43.37 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.815 2.046 . . . . 0.0 110.398 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -98.97 164.45 12.18 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.748 1.219 . . . . 0.0 110.072 175.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.07 -35.35 61.96 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.5 -0.75 . . . . 0.0 112.987 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -62.39 -9.49 8.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.876 2.07 . . . . 0.0 112.951 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.58 16.93 3.35 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 128.456 2.703 . . . . 0.0 111.841 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.1 t -58.38 122.52 60.34 Favored Pre-proline 0 CA--C 1.55 0.942 0 O-C-N 120.826 -1.171 . . . . 0.0 112.478 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.25 -11.51 30.32 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.609 2.206 . . . . 0.0 113.101 -178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -90.34 -18.64 25.17 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.559 1.544 . . . . 0.0 112.905 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -66.27 152.66 93.89 Favored Pre-proline 0 N--CA 1.481 1.092 0 CA-C-N 119.669 1.122 . . . . 0.0 113.956 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -81.11 -12.61 11.72 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.681 2.921 . . . . 0.0 114.26 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -146.49 155.65 42.69 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.034 1.733 . . . . 0.0 111.091 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.416 ' H ' ' HA ' ' A' ' 46' ' ' PRO . . . -175.22 -29.84 0.03 OUTLIER Glycine 0 CA--C 1.545 1.924 0 CA-C-O 116.541 -2.255 . . . . 0.0 117.158 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HA ' ' H ' ' A' ' 45' ' ' GLY . 89.5 Cg_endo -52.25 102.14 0.03 OUTLIER 'Cis proline' 0 C--N 1.357 1.016 0 CA-C-N 121.45 2.625 . . . . 0.0 113.385 -29.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -162.96 149.16 12.28 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.02 2.528 . . . . 0.0 108.555 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.54 177.09 40.39 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 114.526 0.57 . . . . 0.0 114.526 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -79.7 26.88 0.55 Allowed 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 124.761 3.641 . . . . 0.0 115.035 -176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -142.89 70.56 19.15 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 126.763 2.025 . . . . 0.0 111.591 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -77.78 162.61 29.61 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.556 2.838 . . . . 0.0 112.525 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -66.46 -32.91 74.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.742 0.817 . . . . 0.0 112.334 177.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.0 t -157.65 -38.45 0.07 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.231 1.413 . . . . 0.0 112.598 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -155.74 164.06 39.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 111.199 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 tp -126.28 6.54 7.07 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.093 1.757 . . . . 0.0 112.457 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 CA--C 1.54 0.559 0 C-N-CA 125.596 1.558 . . . . 0.0 111.474 -179.589 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.197 0 C4'-C3'-C2' 99.647 -3.053 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 C4'-C3'-C2' 99.183 -3.517 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C4'-C3'-C2' 99.934 -2.766 . 0.704 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 1 O4'-C1'-N19 112.261 4.061 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.14 0 C4'-C3'-C2' 99.609 -3.091 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.287 0 C4'-C3'-C2' 98.896 -3.804 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.153 0 C4'-C3'-C2' 99.369 -3.331 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.181 0 O4'-C1'-N19 111.183 2.983 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.147 0 C4'-C3'-C2' 100.342 -2.358 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.256 0 O4'-C1'-N19 112.02 3.82 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.034 1 O4'-C1'-N19 112.258 4.058 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 O4'-C1'-N19 111.372 3.172 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 0 C4'-C3'-C2' 99.179 -3.521 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.094 1 C4'-C3'-C2' 98.113 -4.587 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 1 C3'-C2'-C1' 105.771 4.745 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 0 O4'-C1'-N19 111.975 3.775 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 1 O4'-C1'-N19 112.397 4.197 . 0.174 3a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 O4'-C1'-N19 110.9 2.7 . 0.103 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.461 3.261 . 0.197 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 C4'-C3'-C2' 99.131 -3.569 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 1 O4'-C1'-N19 112.206 4.006 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.446 -3.254 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 99.262 -3.438 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 O4'-C1'-N19 112.595 4.395 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C3'-C2'-C1' 103.731 2.479 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 0 C4'-C3'-C2' 99.734 -2.966 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.187 0 C4'-C3'-C2' 100.138 -2.562 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.218 0 O4'-C1'-N19 111.711 3.511 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.537 1 C4'-C3'-C2' 97.385 -5.315 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.196 0 O5'-C5'-C4' 114.244 2.889 . 0.65 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O4'-C1'-N19 111.526 3.326 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.222 3.022 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 111.586 3.386 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C4'-C3'-C2' 100.126 -2.574 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.433 0 O4'-C1'-N19 112.022 3.822 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.326 0 C5'-C4'-C3' 111.093 -2.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 O4'-C4'-C3' 108.878 2.413 . 0.446 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.61 0 O4'-C1'-N19 111.815 3.615 . 0.418 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.904 0 C4'-C3'-C2' 99.077 -3.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.275 0 C4'-C3'-C2' 98.999 -3.701 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.024 0 C4'-C3'-C2' 99.344 -3.356 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 0 C4'-C3'-C2' 99.344 -3.356 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.43 0 C5'-C4'-O4' 112.61 2.436 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.095 0 C4'-C3'-C2' 99.4 -3.3 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ' U' . . . . . 0.435 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.199 1 O4'-C1'-N19 113.307 5.107 . 0.715 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ' C' . . . . . 0.435 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.498 1 O4'-C1'-N19 112.254 4.054 . 0.637 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 1 O4'-C1'-N19 113.131 4.931 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' ' U' . . . . . 0.433 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 C4'-C3'-C2' 99.185 -3.515 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' ' U' . . . . . 0.433 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.389 1 O4'-C1'-N19 112.215 4.015 . 0.61 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 112.419 4.219 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 C4'-C3'-C2' 100.05 -2.65 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 110.753 2.553 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 O4'-C1'-N19 111.315 3.115 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.201 0 C4'-C3'-C2' 99.141 -3.559 . 0.017 7a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 98.816 -3.884 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.988 0 C4'-C3'-C2' 99.292 -3.408 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C4'-C3'-C2' 99.523 -3.177 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.206 0 C4'-C3'-C2' 99.586 -3.114 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.985 0 O4'-C1'-N19 110.901 2.701 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.161 0 O4'-C1'-N19 111.975 3.775 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.216 0 C4'-C3'-C2' 99.835 -2.865 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.269 0 C4'-C3'-C2' 99.91 -2.79 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 O4'-C1'-N19 111.786 3.586 . 0.167 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.846 0 C4'-C3'-C2' 99.928 -2.772 . 0.396 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C4'-C3'-C2' 99.56 -3.14 . 0.573 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 111.688 3.488 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 99.331 -3.369 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 O4'-C1'-N19 111.661 3.461 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 120.35 0.119 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.7 m -145.49 146.12 31.34 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.992 1.317 . . . . 0.0 110.568 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -139.74 164.22 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.979 1.711 . . . . 0.0 111.356 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 p -149.98 148.51 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.24 1.416 . . . . 0.0 110.815 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 m -127.34 10.8 6.83 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.917 1.287 . . . . 0.0 114.46 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.55 21.5 2.89 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.359 1.457 . . . . 0.0 114.527 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -139.74 5.54 2.19 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.242 1.417 . . . . 0.0 113.272 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -129.74 8.69 5.35 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.603 1.561 . . . . 0.0 114.585 -177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 47.91 46.21 18.85 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.109 1.763 . . . . 0.0 114.017 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -141.16 152.21 44.49 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.024 1.33 . . . . 0.0 112.391 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.1 ttt-85 -149.88 154.79 38.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.613 1.965 . . . . 0.0 111.289 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.66 157.09 29.19 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.64 1.576 . . . . 0.0 109.661 171.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.73 176.48 48.01 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.452 0.548 . . . . 0.0 113.263 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.2 -162.22 29.72 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.422 1.487 . . . . 0.0 111.161 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.14 107.5 5.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.787 0.835 . . . . 0.0 110.114 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -143.07 30.03 1.45 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.195 2.198 . . . . 0.0 111.802 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -148.92 -3.73 0.44 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 -171.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.1 ttm105 -137.9 -5.46 1.71 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.311 1.845 . . . . 0.0 113.284 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.9 p -50.26 -23.74 2.45 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.809 2.444 . . . . 0.0 116.481 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -126.51 32.33 5.19 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.474 1.51 . . . . 0.0 111.956 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -119.08 119.07 33.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.267 1.427 . . . . 0.0 109.746 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -137.96 162.86 32.96 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.336 1.854 . . . . 0.0 108.282 176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' HA ' ' H21' ' B' ' 110' ' ' ' G' . 9.3 mpt_? -64.02 -1.62 1.58 Allowed 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.691 1.997 . . . . 0.0 116.042 -172.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -117.3 13.49 14.59 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.397 1.879 . . . . 0.0 112.998 175.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -132.64 162.29 31.74 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.674 1.19 . . . . 0.0 113.52 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 50.5 t -83.05 125.06 31.04 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.841 1.256 . . . . 0.0 113.779 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.65 66.56 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.267 -0.896 . . . . 0.0 113.362 175.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -87.37 -57.8 2.82 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.216 0.916 . . . . 0.0 112.909 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -103.6 -6.92 21.18 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 67.71 6.31 4.96 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.544 1.937 . . . . 0.0 114.73 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.91 158.18 36.0 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 110.722 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -94.39 162.36 13.86 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.017 1.118 . . . . 0.0 114.017 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.32 82.06 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.612 1.577 . . . . 0.0 116.437 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -155.33 175.62 13.62 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.794 1.297 . . . . 0.0 112.116 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -117.48 159.71 22.39 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.508 1.923 . . . . 0.0 108.76 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.17 -34.93 33.66 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -56.61 -20.54 21.57 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.392 1.477 . . . . 0.0 113.834 177.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.53 18.6 6.87 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.982 2.113 . . . . 0.0 112.694 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.64 124.39 26.0 Favored Pre-proline 0 CA--C 1.556 1.201 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -71.65 -12.63 29.24 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.927 2.418 . . . . 0.0 114.56 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -99.12 -2.32 37.28 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -72.13 155.01 92.14 Favored Pre-proline 0 N--CA 1.477 0.909 0 CA-C-N 119.062 0.846 . . . . 0.0 111.938 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.83 -9.9 27.08 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 123.562 2.842 . . . . 0.0 113.795 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -133.36 42.55 3.0 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.097 2.159 . . . . 0.0 112.369 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.26 172.54 30.81 Favored Glycine 0 CA--C 1.544 1.87 0 C-N-CA 125.746 1.641 . . . . 0.0 112.636 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -62.86 168.61 30.51 Favored 'Cis proline' 0 CA--C 1.544 1.019 0 CA-C-N 118.371 1.086 . . . . 0.0 112.449 -27.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -84.56 22.95 1.2 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.529 1.531 . . . . 0.0 115.006 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.45 177.18 21.77 Favored Glycine 0 CA--C 1.544 1.867 0 C-N-CA 126.066 1.793 . . . . 0.0 114.637 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -81.83 28.65 0.55 Allowed 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 124.919 3.746 . . . . 0.0 114.403 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -147.74 156.66 44.73 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 127.344 2.258 . . . . 0.0 111.487 -178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.4 -14.36 33.99 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.139 2.559 . . . . 0.0 113.796 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -148.76 147.47 28.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.034 1.734 . . . . 0.0 110.205 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.4 p -140.87 166.19 25.46 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.06 1.744 . . . . 0.0 111.189 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 m -144.73 157.35 44.22 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.061 1.344 . . . . 0.0 111.836 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.81 3.78 5.42 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.218 1.407 . . . . 0.0 113.852 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 124.91 1.284 . . . . 0.0 111.516 179.699 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.135 0 C4'-C3'-C2' 99.555 -3.145 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.074 0 C4'-C3'-C2' 99.55 -3.15 . 0.741 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 C4'-C3'-C2' 99.563 -3.137 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.054 1 O4'-C1'-N19 112.412 4.212 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.202 0 C4'-C3'-C2' 99.486 -3.214 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.131 0 C4'-C3'-C2' 99.057 -3.643 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.146 0 C4'-C3'-C2' 99.447 -3.253 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C4'-C3'-C2' 99.639 -3.061 . 0.753 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.145 0 O4'-C1'-N19 110.823 2.623 . 0.74 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.242 0 O4'-C1'-N19 112.085 3.885 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 1 O4'-C1'-N19 112.795 4.595 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.27 0 O4'-C1'-N19 112.103 3.903 . 0.594 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C4'-C3'-C2' 98.813 -3.887 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.969 2 C4'-C3'-C2' 98.332 -4.368 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 1 C3'-C2'-C1' 105.179 4.088 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 110.655 2.455 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.367 0 C3'-C2'-C1' 104.849 3.721 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' G' . . . . . 0.492 ' H21' ' HA ' ' A' ' 23' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C4'-C3'-C2' 99.697 -3.003 . 0.293 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 0 C5'-C4'-C3' 110.552 -3.298 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.18 0 C5'-C4'-O4' 113.693 3.209 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.995 3.795 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 99.157 -3.543 . 0.719 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.205 0 C4'-C3'-C2' 99.232 -3.468 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 1 O4'-C1'-N19 112.723 4.523 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ' U' . . . . . 0.425 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.538 2.129 0 O4'-C1'-N19 110.704 2.504 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ' G' . . . . . 0.425 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.538 2.124 0 C4'-C3'-C2' 99.694 -3.006 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.026 0 C4'-C3'-C2' 100.012 -2.688 . 0.63 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 1 O4'-C1'-N19 112.362 4.162 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 1 C4'-C3'-C2' 97.708 -4.992 . 0.65 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.552 0 O5'-C5'-C4' 114.626 3.162 . 0.638 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 O4'-C1'-N19 111.658 3.458 . 0.485 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.424 0 O4'-C1'-N19 111.448 3.248 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.211 0 O4'-C1'-N19 111.852 3.652 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 C4'-C3'-C2' 100.12 -2.58 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 1 O4'-C1'-N19 112.207 4.007 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.432 0 C5'-C4'-C3' 110.783 -3.145 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 O4'-C4'-C3' 109.066 2.547 . 0.438 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.555 1 O4'-C1'-N19 112.217 4.017 . 0.456 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 1 C4'-C3'-C2' 98.273 -4.427 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 C4'-C3'-C2' 99.092 -3.608 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C4'-C3'-C2' 99.488 -3.212 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.123 0 C4'-C3'-C2' 99.181 -3.519 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.405 0 O4'-C1'-N19 110.78 2.58 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 99.518 -3.182 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ' U' . . . . . 0.436 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.242 1 O4'-C1'-N19 113.219 5.019 . 0.747 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ' C' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.433 1 O4'-C1'-N19 112.355 4.155 . 0.593 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.233 1 O4'-C1'-N19 113.275 5.075 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' ' U' . . . . . 0.424 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.143 0 C4'-C3'-C2' 99.462 -3.238 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' ' U' . . . . . 0.424 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 O4'-C1'-N19 112.102 3.902 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.926 3.726 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 C4'-C3'-C2' 99.625 -3.075 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C4'-C3'-C2' 99.067 -3.633 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.299 1 O4'-C1'-N19 112.342 4.142 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 2 O4'-C1'-N19 114.677 6.477 . 0.024 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.917 0 C4'-C3'-C2' 98.724 -3.976 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.181 -3.519 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.918 0 O4'-C1'-N19 111.464 3.264 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.036 0 C4'-C3'-C2' 99.412 -3.288 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.243 0 O4'-C1'-N19 110.916 2.716 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.22 0 O4'-C1'-N19 111.573 3.373 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.189 0 C4'-C3'-C2' 99.79 -2.91 . 0.752 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.389 0 O4'-C1'-N19 111.426 3.226 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 1 O4'-C1'-N19 113.196 4.996 OUTLIER-DELTA 0.01 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.832 0 C3'-C2'-C1' 103.906 2.673 . 0.022 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 0 O4'-C1'-N19 110.663 2.463 . 0.763 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.047 0 O4'-C1'-N19 111.688 3.488 . 0.822 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 C4'-C3'-C2' 99.41 -3.29 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.264 0 O4'-C1'-N19 111.715 3.515 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.386 0.136 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.5 p -141.48 164.95 28.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.573 1.549 . . . . 0.0 111.85 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.78 150.42 22.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.449 1.499 . . . . 0.0 111.192 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.1 t -139.68 32.62 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.65 1.58 . . . . 0.0 110.253 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m 54.92 25.35 6.69 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.215 1.806 . . . . 0.0 114.87 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.55 29.15 0.22 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.51 1.052 . . . . 0.0 115.366 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -148.2 162.35 39.64 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.932 1.293 . . . . 0.0 112.133 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -148.28 174.96 11.48 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.817 1.647 . . . . 0.0 112.523 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -126.59 4.0 6.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.123 1.369 . . . . 0.0 113.338 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.8 -26.7 36.48 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.089 1.356 . . . . 0.0 113.969 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.5 ttt-85 -64.71 -18.69 65.23 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.641 1.576 . . . . 0.0 112.625 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -116.54 -35.95 4.1 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.261 1.824 . . . . 0.0 113.198 -178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.31 -179.18 45.82 Favored Glycine 0 CA--C 1.536 1.366 0 N-CA-C 115.945 1.138 . . . . 0.0 115.945 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.96 172.31 43.86 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 125.778 1.656 . . . . 0.0 112.921 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -142.74 10.65 1.81 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.553 1.141 . . . . 0.0 113.632 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.95 179.73 7.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.508 1.523 . . . . 0.0 111.838 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -128.74 163.09 25.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.63 1.972 . . . . 0.0 111.63 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 57.63 23.37 9.29 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 126.528 1.931 . . . . 0.0 114.735 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -48.65 -28.24 3.38 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.593 1.957 . . . . 0.0 115.511 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -133.37 36.63 3.39 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.31 1.444 . . . . 0.0 111.293 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -142.65 93.32 2.51 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.526 1.13 . . . . 0.0 112.087 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -98.36 169.59 9.45 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.986 1.315 . . . . 0.0 110.579 175.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HA ' ' H21' ' B' ' 110' ' ' ' G' . 2.0 mpt_? -61.61 -9.05 5.19 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -176.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -103.58 2.88 33.97 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.525 1.53 . . . . 0.0 113.798 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -112.94 172.57 6.85 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.14 122.9 42.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.484 1.914 . . . . 0.0 110.883 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.17 -19.26 65.89 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -88.66 -42.13 12.19 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.63 -5.03 9.75 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.284 13.4 mptt 68.21 4.39 4.13 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.307 2.243 . . . . 0.0 115.247 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.59 172.76 3.15 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.222 0.919 . . . . 0.0 110.565 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -119.65 159.69 23.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.47 1.108 . . . . 0.0 113.837 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.18 -4.56 65.04 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.37 1.462 . . . . 0.0 114.758 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -153.41 169.64 22.64 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.324 1.849 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -111.27 163.45 13.93 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.794 1.638 . . . . 0.0 109.748 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.16 -37.59 55.02 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -56.87 -18.59 13.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.936 1.695 . . . . 0.0 113.632 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.32 17.27 5.46 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.258 2.223 . . . . 0.0 112.964 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.9 t -52.0 125.16 31.03 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 123.697 0.799 . . . . 0.0 113.131 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -71.66 -12.89 29.51 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.806 2.337 . . . . 0.0 113.334 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -81.67 -19.79 40.9 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.271 1.028 . . . . 0.0 112.0 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.51 155.03 94.02 Favored Pre-proline 0 N--CA 1.476 0.838 0 CA-C-N 118.686 0.676 . . . . 0.0 112.569 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -71.48 4.43 2.97 Favored 'Trans proline' 0 CA--C 1.548 1.181 0 C-N-CA 123.98 3.12 . . . . 0.0 114.563 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -128.52 30.93 5.08 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.646 1.978 . . . . 0.0 114.024 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.5 173.88 43.2 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 125.236 1.398 . . . . 0.0 113.475 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -59.16 169.81 13.86 Favored 'Cis proline' 0 CA--C 1.545 1.074 0 CA-C-N 118.021 0.91 . . . . 0.0 112.659 -29.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 58.31 -165.84 0.17 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.58 1.552 . . . . 0.0 112.409 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.57 170.02 34.01 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.461 1.029 . . . . 0.0 114.009 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -77.57 48.61 2.64 Favored 'Trans proline' 0 CA--C 1.548 1.178 1 C-N-CA 125.609 4.206 . . . . 0.0 113.592 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -138.45 150.62 66.99 Favored Pre-proline 0 N--CA 1.479 1.022 0 C-N-CA 125.677 1.591 . . . . 0.0 112.023 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.49 170.64 17.99 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.49 2.793 . . . . 0.0 112.623 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -144.54 153.62 42.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.366 1.466 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.8 p -66.69 -12.3 57.84 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.501 1.521 . . . . 0.0 115.004 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 t -150.21 165.33 33.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.082 1.753 . . . . 0.0 110.732 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 pp -148.48 175.27 11.28 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.556 1.542 . . . . 0.0 112.704 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 126.08 1.752 . . . . 0.0 111.096 -179.571 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.137 0 C4'-C3'-C2' 99.516 -3.184 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.976 0 C4'-C3'-C2' 99.576 -3.124 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 C4'-C3'-C2' 99.52 -3.18 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 1 O4'-C1'-N19 112.216 4.016 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 99.478 -3.222 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 C4'-C3'-C2' 98.892 -3.808 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.081 0 C4'-C3'-C2' 99.317 -3.383 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.011 2.811 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.009 0 C5'-C4'-C3' 110.018 -3.655 . 0.522 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 O4'-C1'-N19 112.158 3.958 . 0.614 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.901 1 O4'-C1'-N19 112.865 4.665 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.284 0 O4'-C1'-N19 111.953 3.753 . 0.596 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.1 0 C4'-C3'-C2' 99.079 -3.621 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . 0.414 " H3'" " H5'" ' B' ' 107' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.092 1 O4'-C1'-N19 112.248 4.048 . 0.718 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . 0.414 " H5'" " H3'" ' B' ' 106' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C3'-C2'-C1' 104.518 3.354 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 C3'-C2'-C1' 103.439 2.154 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.238 1 O4'-C1'-N19 112.324 4.124 OUTLIER-DELTA 0.01 3g . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' G' . . . . . 0.516 ' H21' ' HA ' ' A' ' 23' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 O4'-C1'-N19 112.061 3.861 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.442 0 O4'-C1'-N19 111.307 3.107 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C5'-C4'-O4' 113.359 2.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.994 3.794 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 C4'-C3'-C2' 99.619 -3.081 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 C4'-C3'-C2' 99.492 -3.208 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.258 1 O4'-C1'-N19 112.671 4.471 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ' U' . . . . . 0.412 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C3'-C2'-C1' 103.782 2.536 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ' G' . . . . . 0.412 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C4'-C3'-C2' 99.943 -2.757 . 0.498 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.205 0 O4'-C1'-N19 110.786 2.586 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.07 0 O4'-C1'-N19 111.964 3.764 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 C4'-C3'-C2' 97.339 -5.361 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.463 0 O5'-C5'-C4' 114.544 3.103 . 0.602 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 O4'-C1'-N19 111.881 3.681 . 0.537 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.08 0 O4'-C1'-N19 111.965 3.765 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.152 1 O4'-C1'-N19 112.441 4.241 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.113 0 O4'-C1'-N19 111.46 3.26 . 0.684 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.015 2 C4'-C3'-C2' 98.56 -4.14 . 0.612 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.326 0 C5'-C4'-C3' 110.067 -3.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.553 0 O5'-C5'-C4' 113.633 2.452 . 0.701 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C3'-C2'-C1' 103.764 2.516 . 0.904 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 100.188 -2.512 . 0.04 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 C4'-C3'-C2' 98.926 -3.774 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C4'-C3'-C2' 99.208 -3.492 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.339 -3.361 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.399 0 C5'-C4'-O4' 112.645 2.46 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.278 -3.422 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ' U' . . . . . 0.439 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.173 1 O4'-C1'-N19 113.345 5.145 . 0.731 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ' C' . . . . . 0.439 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.478 1 O4'-C1'-N19 112.281 4.081 . 0.676 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 1 O4'-C1'-N19 113.223 5.023 . 0.581 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' ' U' . . . . . 0.403 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C4'-C3'-C2' 99.237 -3.463 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' ' U' . . . . . 0.403 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.355 1 O4'-C1'-N19 112.203 4.003 . 0.651 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 O4'-C1'-N19 111.977 3.777 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.413 -3.287 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 O4'-C1'-N19 110.733 2.533 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 103.952 2.724 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.586 2 O4'-C1'-N19 115.806 7.606 OUTLIER-DELTA 0.089 3b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.971 0 O4'-C1'-N19 111.115 2.915 . 0.019 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.057 0 C4'-C3'-C2' 99.093 -3.607 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.003 0 O4'-C1'-N19 111.257 3.057 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 99.382 -3.318 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.16 0 O4'-C1'-N19 110.934 2.734 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.112 0 O4'-C1'-N19 111.863 3.663 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C4'-C3'-C2' 99.657 -3.043 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 0 O4'-C1'-N19 111.273 3.073 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 O4'-C1'-N19 112.15 3.95 . 0.104 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.991 -2.709 . 0.355 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 100.049 -2.651 . 0.767 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.106 0 O4'-C1'-N19 112.011 3.811 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 111.792 3.592 . 0.748 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.87 3.67 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 111.256 0.095 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.5 p -126.85 -3.64 6.48 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.095 1.358 . . . . 0.0 114.501 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.2 m -141.83 166.93 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.215 1.806 . . . . 0.0 111.136 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.7 t -120.79 30.28 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 124.808 1.243 . . . . 0.0 111.731 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -62.37 154.12 29.07 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.85 1.66 . . . . 0.0 113.46 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.57 -17.44 0.13 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -138.79 173.42 11.59 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.395 1.478 . . . . 0.0 111.77 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -138.85 165.08 27.98 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.076 1.75 . . . . 0.0 111.752 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -133.73 175.32 9.56 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.769 1.628 . . . . 0.0 112.161 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -146.57 164.87 31.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.877 1.671 . . . . 0.0 112.006 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.3 ptt-85 -150.66 156.87 42.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.191 1.396 . . . . 0.0 112.719 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -135.67 3.45 3.01 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.293 1.437 . . . . 0.0 113.511 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.97 -165.63 35.28 Favored Glycine 0 CA--C 1.535 1.286 0 O-C-N 120.965 -1.084 . . . . 0.0 113.987 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.45 -176.24 33.33 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.537 1.542 . . . . 0.0 112.981 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -124.75 5.05 8.14 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.733 1.213 . . . . 0.0 113.645 -177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -150.84 159.17 44.72 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.269 1.428 . . . . 0.0 111.505 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -138.5 172.51 12.78 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.234 2.213 . . . . 0.0 110.411 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -76.05 36.52 0.14 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 126.391 1.876 . . . . 0.0 112.924 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.0 m -47.01 107.93 0.13 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.126 2.17 . . . . 0.0 112.71 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 51.71 32.7 9.77 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.271 1.828 . . . . 0.0 114.551 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 tt -65.77 111.24 3.14 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.692 0.797 . . . . 0.0 109.596 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -139.84 151.2 45.5 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.021 2.128 . . . . 0.0 108.517 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HA ' ' H21' ' B' ' 110' ' ' ' G' . 21.3 mmt-85 -66.36 2.18 1.34 Allowed 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -175.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -113.9 9.72 17.55 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.794 1.638 . . . . 0.0 112.345 174.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -128.4 164.16 23.3 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.905 1.282 . . . . 0.0 114.219 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.7 t -92.57 123.45 35.87 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 113.987 -177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.14 -18.99 65.77 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -92.92 -41.1 10.23 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.5 p -121.96 -4.67 9.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.285 13.7 mptt 65.89 13.52 9.07 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.44 1.896 . . . . 0.0 114.863 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -70.38 174.32 5.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.179 -0.951 . . . . 0.0 111.021 170.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 155.13 28.2 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.5 1.52 . . . . 0.0 112.968 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.98 -3.87 70.82 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.411 1.482 . . . . 0.0 115.547 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -153.43 175.49 13.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.505 1.522 . . . . 0.0 111.616 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -117.71 164.27 15.24 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.445 1.898 . . . . 0.0 109.622 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.09 -40.2 57.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.064 0.946 . . . . 0.0 112.705 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -54.18 -18.34 3.72 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.116 2.167 . . . . 0.0 113.976 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -133.3 15.34 4.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.333 2.253 . . . . 0.0 113.231 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.9 t -53.8 122.97 36.84 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.664 1.186 . . . . 0.0 113.702 -177.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.37 -14.69 31.2 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.836 2.358 . . . . 0.0 112.857 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -82.95 -12.65 57.14 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.951 1.3 . . . . 0.0 112.647 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -61.73 147.4 89.11 Favored Pre-proline 0 N--CA 1.48 1.05 0 CA-C-N 119.409 1.004 . . . . 0.0 112.866 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.05 148.11 9.94 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.529 3.486 . . . . 0.0 115.226 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -148.8 151.74 35.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.149 1.78 . . . . 0.0 110.33 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.38 168.71 53.17 Favored Glycine 0 CA--C 1.544 1.887 0 C-N-CA 123.576 0.608 . . . . 0.0 113.803 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.35 166.86 54.11 Favored 'Cis proline' 0 CA--C 1.542 0.887 0 CA-C-N 117.911 0.856 . . . . 0.0 112.886 26.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -138.1 165.65 26.09 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.871 1.668 . . . . 0.0 111.616 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -176.44 176.08 47.71 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.995 1.283 . . . . 0.0 113.036 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -74.18 67.42 5.17 Favored 'Trans proline' 0 CA--C 1.545 1.07 0 C-N-CA 125.183 3.922 . . . . 0.0 112.44 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -135.53 147.97 63.87 Favored Pre-proline 0 N--CA 1.476 0.844 0 C-N-CA 125.919 1.687 . . . . 0.0 111.562 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.41 150.64 70.57 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.195 2.597 . . . . 0.0 113.1 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -129.68 -20.55 3.21 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.812 1.645 . . . . 0.0 112.265 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 t -161.5 163.12 30.5 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 127.954 2.502 . . . . 0.0 108.737 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.3 m -152.41 159.76 43.36 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.888 1.275 . . . . 0.0 112.21 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -143.04 173.55 11.46 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.16 1.384 . . . . 0.0 112.35 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.472 0.635 0 C-N-CA 125.16 1.384 . . . . 0.0 110.719 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.246 0 C4'-C3'-C2' 99.722 -2.978 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 C4'-C3'-C2' 98.991 -3.709 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 0 C5'-C4'-O4' 113.015 2.725 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.148 0 O4'-C1'-N19 111.999 3.799 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C4'-C3'-C2' 99.625 -3.075 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C4'-C3'-C2' 98.946 -3.754 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.11 0 C4'-C3'-C2' 99.305 -3.395 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 0 O4'-C1'-N19 111.24 3.04 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 110.647 2.447 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.184 0 O4'-C1'-N19 112.173 3.973 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 1.999 1 O4'-C1'-N19 112.427 4.227 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.287 0 C4'-C3'-C2' 99.513 -3.187 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.272 0 C4'-C3'-C2' 99.304 -3.396 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.674 3.474 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C3'-C2'-C1' 104.774 3.638 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.648 0 C5'-C4'-O4' 112.772 2.552 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C3'-C2'-C1' 105.073 3.97 OUTLIER-DELTA 0.01 3g . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' G' . . . . . 0.555 ' H21' ' HA ' ' A' ' 23' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 C4'-C3'-C2' 99.492 -3.208 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.332 0 O4'-C1'-N19 110.837 2.637 . 0.012 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.269 -3.431 . 0.0 OUTLIER '7D dist 3d' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 1 O4'-C1'-N19 112.275 4.075 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.273 0 C4'-C3'-C2' 99.405 -3.295 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 C4'-C3'-C2' 99.396 -3.304 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 1 O4'-C1'-N19 112.7 4.5 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ' U' . . . . . 0.449 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.537 2.087 0 C3'-C2'-C1' 104.029 2.81 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ' G' . . . . . 0.449 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.538 2.146 0 C4'-C3'-C2' 99.766 -2.934 . 0.482 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 110.834 2.634 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 1 O4'-C1'-N19 112.499 4.299 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.524 1 C4'-C3'-C2' 97.458 -5.242 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.331 0 O5'-C5'-C4' 114.612 3.152 . 0.605 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 O4'-C1'-N19 111.88 3.68 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 0 O4'-C1'-N19 111.958 3.758 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.055 1 O4'-C1'-N19 112.314 4.114 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.308 0 C4'-C3'-C2' 99.818 -2.882 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.96 1 C5'-C4'-C3' 108.975 -4.35 . 0.912 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.312 1 C5'-C4'-C3' 109.017 -4.322 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.609 0 P-O3'-C3' 122.189 2.074 . 0.57 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 1 O4'-C1'-N19 113.051 4.851 . 0.756 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.383 0 C4'-C3'-C2' 100.183 -2.517 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.296 0 C4'-C3'-C2' 99.111 -3.589 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.05 0 C4'-C3'-C2' 99.366 -3.334 . 0.731 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 O4'-C1'-N19 111.746 3.546 . 0.668 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.468 0 O4'-C1'-N19 110.85 2.65 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.217 0 C4'-C3'-C2' 99.84 -2.86 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ' U' . . . . . 0.431 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 O4'-C1'-N19 113.46 5.26 . 0.757 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ' C' . . . . . 0.431 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.632 1 O4'-C1'-N19 112.696 4.496 . 0.607 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.136 1 O4'-C1'-N19 113.066 4.866 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' ' U' . . . . . 0.44 " H2'" ' C6 ' ' B' ' 141' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.063 0 C4'-C3'-C2' 99.086 -3.614 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' ' U' . . . . . 0.44 ' C6 ' " H2'" ' B' ' 140' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.336 1 O4'-C1'-N19 112.329 4.129 . 0.686 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.381 1 C4'-C3'-C2' 98.529 -4.171 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.358 0 C4'-C3'-C2' 99.628 -3.072 . 0.647 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 O4'-C1'-N19 111.941 3.741 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 O4'-C1'-N19 111.624 3.424 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.608 2 O4'-C1'-N19 116.135 7.935 . 0.124 3b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C4'-C3'-C2' 99.173 -3.527 . 0.458 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.992 0 C4'-C3'-C2' 98.878 -3.822 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.259 0 O4'-C1'-N19 111.62 3.42 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.079 0 C4'-C3'-C2' 98.856 -3.844 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.295 0 C4'-C3'-C2' 100.279 -2.421 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.186 0 O4'-C1'-N19 111.606 3.406 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.167 0 C4'-C3'-C2' 99.814 -2.886 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.505 3.305 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.363 0 O4'-C1'-N19 112.024 3.824 . 0.156 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.25 1 O4'-C1'-N19 112.335 4.135 . 0.526 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.188 0 C4'-C3'-C2' 99.556 -3.144 . 0.476 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 C4'-C3'-C2' 99.472 -3.228 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 C4'-C3'-C2' 99.513 -3.187 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 O4'-C1'-N19 111.573 3.373 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.568 0.223 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.1 p -140.65 163.35 33.11 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.742 1.617 . . . . 0.0 111.688 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.8 p -139.33 -0.98 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 124.704 1.202 . . . . 0.0 113.826 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -61.83 146.19 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.85 1.26 . . . . 0.0 112.505 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -154.12 167.82 28.57 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.436 1.494 . . . . 0.0 112.151 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.54 9.24 0.08 OUTLIER Glycine 0 CA--C 1.538 1.488 0 N-CA-C 116.376 1.31 . . . . 0.0 116.376 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 53.94 18.31 1.61 Allowed 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.688 1.995 . . . . 0.0 115.658 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -154.65 154.01 32.25 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.036 1.734 . . . . 0.0 111.172 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -139.68 157.71 45.33 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.378 1.871 . . . . 0.0 110.069 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -139.83 -20.57 0.9 Allowed 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 48.06 31.92 2.69 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.796 2.038 . . . . 0.0 115.162 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 51.47 -101.99 0.11 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.246 2.218 . . . . 0.0 114.154 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.11 -144.64 10.69 Favored Glycine 0 CA--C 1.533 1.164 0 O-C-N 121.198 -0.939 . . . . 0.0 113.166 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.32 -168.67 40.0 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.818 1.675 . . . . 0.0 111.762 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -69.12 -41.93 76.73 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.797 -0.825 . . . . 0.0 110.529 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -167.74 143.71 4.02 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 128.447 2.699 . . . . 0.0 108.767 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -112.7 -171.49 1.87 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.832 1.653 . . . . 0.0 111.943 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 66.52 23.13 10.5 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 126.992 2.117 . . . . 0.0 114.231 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 t -48.49 -29.32 4.03 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.574 1.95 . . . . 0.0 114.45 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -122.64 44.23 2.69 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.211 1.805 . . . . 0.0 111.834 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.63 160.91 38.78 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.967 1.707 . . . . 0.0 109.977 175.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -154.58 155.85 35.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.122 1.769 . . . . 0.0 108.805 176.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -62.09 -6.01 2.66 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -117.72 13.81 14.26 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.221 1.809 . . . . 0.0 112.831 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -120.69 164.17 16.96 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.699 1.199 . . . . 0.0 113.631 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -88.3 124.38 33.83 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.988 1.315 . . . . 0.0 113.108 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.97 -7.06 31.74 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -105.89 -35.68 7.24 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.001 1.32 . . . . 0.0 114.267 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.51 -6.76 5.22 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.283 62.3 mttm 66.63 11.39 8.12 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.724 2.01 . . . . 0.0 116.296 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.56 158.36 21.3 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.935 0.789 . . . . 0.0 109.605 170.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -104.37 143.85 32.43 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.274 1.029 . . . . 0.0 111.815 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.89 -7.43 35.8 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.343 1.449 . . . . 0.0 115.342 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -149.88 172.84 14.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.299 1.44 . . . . 0.0 111.7 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -116.08 162.73 16.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.185 1.794 . . . . 0.0 110.07 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.65 -40.87 41.08 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -66.51 -3.16 5.65 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.323 1.449 . . . . 0.0 114.321 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -133.5 10.95 4.08 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 127.931 2.492 . . . . 0.0 111.752 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.98 116.1 9.56 Favored Pre-proline 0 CA--C 1.555 1.143 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.68 -21.6 70.02 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 123.69 2.927 . . . . 0.0 114.493 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -74.51 -21.41 59.57 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.71 0.804 . . . . 0.0 112.945 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -68.8 139.3 90.9 Favored Pre-proline 0 N--CA 1.473 0.718 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.11 -11.49 17.77 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 123.719 2.946 . . . . 0.0 113.927 178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -146.68 176.77 9.6 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.703 2.001 . . . . 0.0 111.989 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.15 -33.43 0.1 OUTLIER Glycine 0 CA--C 1.544 1.886 0 CA-C-O 117.086 -1.952 . . . . 0.0 116.496 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -47.24 162.34 2.4 Favored 'Cis proline' 0 C--N 1.357 0.99 0 CA-C-N 120.512 2.156 . . . . 0.0 114.264 -28.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -142.73 145.67 33.57 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.679 1.592 . . . . 0.0 110.595 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.44 -57.9 0.2 Allowed Glycine 0 CA--C 1.538 1.504 0 CA-C-O 118.472 -1.182 . . . . 0.0 113.467 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.28 158.5 56.07 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.838 2.359 . . . . 0.0 111.594 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.72 156.56 33.18 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.953 1.701 . . . . 0.0 111.3 -177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -71.17 -9.48 25.57 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 123.299 2.666 . . . . 0.0 115.084 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -144.29 125.64 14.77 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.444 1.097 . . . . 0.0 111.844 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.5 m -137.39 -21.43 1.17 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 126.258 1.823 . . . . 0.0 111.979 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p -135.12 175.77 9.27 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.677 1.991 . . . . 0.0 111.304 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -149.35 175.74 11.17 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.04 1.336 . . . . 0.0 112.597 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 125.123 1.369 . . . . 0.0 112.118 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.126 0 C4'-C3'-C2' 99.683 -3.017 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.043 0 C4'-C3'-C2' 99.614 -3.086 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.069 0 C4'-C3'-C2' 99.747 -2.953 . 0.721 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.092 1 O4'-C1'-N19 112.418 4.218 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.161 0 C4'-C3'-C2' 99.575 -3.125 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 0 C4'-C3'-C2' 98.899 -3.801 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.136 0 O4'-C1'-N19 111.785 3.585 . 0.633 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 111.246 3.046 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.105 0 C4'-C3'-C2' 100.016 -2.684 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.172 0 O4'-C1'-N19 111.989 3.789 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.053 1 O4'-C1'-N19 112.714 4.514 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.238 0 O4'-C1'-N19 112.032 3.832 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.007 1 C4'-C3'-C2' 98.403 -4.297 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.893 2 C4'-C3'-C2' 98.349 -4.351 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 O4'-C1'-N19 112.044 3.844 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.276 0 C3'-C2'-C1' 104.76 3.622 . 0.725 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C3'-C2'-C1' 104.898 3.775 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 111.038 2.838 . 0.159 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.333 0 C5'-C4'-O4' 112.623 2.445 . 0.104 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.387 0 C4'-C3'-C2' 99.672 -3.028 . 0.178 3a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 1 O4'-C1'-N19 112.274 4.074 . 0.668 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.154 0 C4'-C3'-C2' 99.471 -3.229 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 C4'-C3'-C2' 99.335 -3.365 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.102 1 O4'-C1'-N19 112.909 4.709 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ' U' . . . . . 0.434 " H2'" ' C8 ' ' B' ' 118' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.537 2.109 0 O4'-C1'-N19 111.416 3.216 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ' G' . . . . . 0.434 ' C8 ' " H2'" ' B' ' 117' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.541 2.352 0 C4'-C3'-C2' 99.537 -3.163 . 0.47 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C4'-C3'-C2' 99.704 -2.996 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.013 1 O4'-C1'-N19 112.545 4.345 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 1 C4'-C3'-C2' 97.094 -5.606 . 0.635 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.166 0 C5'-C4'-O4' 112.651 2.465 . 0.629 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.207 0 O4'-C1'-N19 111.67 3.47 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.197 0 O4'-C1'-N19 111.836 3.636 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.179 1 O4'-C1'-N19 112.38 4.18 . 0.723 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 C4'-C3'-C2' 99.861 -2.839 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.871 1 C5'-C4'-C3' 108.988 -4.341 . 0.942 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.336 0 C5'-C4'-C3' 111.797 -2.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 O4'-C4'-C3' 108.516 2.154 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 O4'-C1'-N19 114.297 6.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.052 1 O5'-C5'-C4' 116.172 4.266 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 C4'-C3'-C2' 99.061 -3.639 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.12 0 C4'-C3'-C2' 99.299 -3.401 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C4'-C3'-C2' 99.321 -3.379 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.371 0 C5'-C4'-O4' 112.487 2.348 . 0.816 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.034 0 C4'-C3'-C2' 99.807 -2.893 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ' U' . . . . . 0.461 " H2'" ' C6 ' ' B' ' 138' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.251 1 O4'-C1'-N19 113.279 5.079 . 0.755 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ' C' . . . . . 0.461 ' C6 ' " H2'" ' B' ' 137' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.542 2.473 0 O4'-C1'-N19 112.041 3.841 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 1 O4'-C1'-N19 113.151 4.951 . 0.644 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.219 0 C4'-C3'-C2' 99.017 -3.683 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.032 -3.668 . 0.673 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.011 0 O4'-C1'-N19 111.889 3.689 . 0.831 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.645 -3.055 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 O4'-C1'-N19 111.353 3.153 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.296 3.096 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O4'-C1'-N19 111.459 3.259 . 0.03 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O5'-C5'-C4' 113.959 2.685 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 C4'-C3'-C2' 99.147 -3.553 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 O4'-C1'-N19 111.343 3.143 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.056 0 C4'-C3'-C2' 99.431 -3.269 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.119 0 O4'-C1'-N19 110.777 2.577 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 O4'-C1'-N19 111.644 3.444 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C4'-C3'-C2' 99.918 -2.782 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.315 0 O4'-C1'-N19 111.109 2.909 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 O4'-C1'-N19 112.184 3.984 . 0.122 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 0 C3'-C2'-C1' 103.605 2.339 . 0.363 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C4'-C3'-C2' 100.034 -2.666 . 0.73 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.115 0 O4'-C1'-N19 111.723 3.523 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.125 0 O4'-C1'-N19 111.572 3.372 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.171 0 O4'-C1'-N19 111.599 3.399 . 0.828 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_