data_2l45_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 2l45 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.31 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 12.0 t -59.24 179.75 0.09 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.046 1.739 . . . . 0.0 111.482 169.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -99.82 -48.77 4.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 126.494 1.917 . . . . 0.0 111.451 173.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.471 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -108.92 -22.26 12.26 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.7 m -86.72 -61.87 1.63 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.37 0.605 . . . . 0.0 110.92 -171.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.446 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.56 33.74 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.528 1.537 . . . . 0.0 114.503 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -144.45 149.93 36.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 110.459 -171.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.05 38.46 0.07 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.17 1.388 . . . . 0.0 114.315 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.26 -51.27 10.21 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 120.458 -1.402 . . . . 0.0 112.073 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.464 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -168.7 -161.98 0.36 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.027 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.85 175.41 5.45 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 129.377 3.071 . . . . 0.0 112.383 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.51 74.22 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.185 -168.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -14.86 62.94 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.694 1.134 . . . . 0.0 114.015 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.09 -19.81 13.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 112.951 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 8.9 t -86.51 -77.06 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.933 1.693 . . . . 0.0 109.865 172.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 p 64.59 8.04 4.14 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 127.374 2.27 . . . . 0.0 114.64 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -80.23 19.86 0.72 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -154.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 9.5 tmm_? . . . . . 0 C--O 1.26 1.638 0 C-N-CA 126.354 1.862 . . . . 0.0 112.442 -173.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 114.829 0.692 . . . . 0.0 114.829 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -58.66 159.75 6.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 122.237 1.018 . . . . 0.0 109.359 170.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -77.5 -38.99 47.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 124.218 1.007 . . . . 0.0 113.006 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -115.67 -34.99 4.67 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.541 1.136 . . . . 0.0 113.066 -179.416 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 6.3 m -76.43 -50.98 12.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.872 0.869 . . . . 0.0 111.808 -170.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 92.51 40.45 5.05 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.425 1.488 . . . . 0.0 113.867 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 7.0 mtmp? -133.92 9.72 3.88 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -166.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 54.34 27.39 7.99 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.72 -41.55 7.2 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.639 1.114 . . . . 0.0 112.645 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.8 p-80 -165.7 -166.92 1.01 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.958 1.303 . . . . 0.0 111.54 178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -112.38 176.68 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 127.995 2.518 . . . . 0.0 111.67 174.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.99 -36.46 77.23 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.397 1.079 . . . . 0.0 113.532 -164.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -23.32 67.38 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.083 1.353 . . . . 0.0 113.114 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -25.44 13.84 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.453 1.501 . . . . 0.0 113.021 176.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 53.2 t -79.16 -78.26 0.16 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.965 2.106 . . . . 0.0 109.822 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.303 7.7 t 41.82 45.06 3.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.126 2.171 . . . . 0.0 111.996 -169.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -97.9 21.55 10.46 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 53.7 mtt180 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 128.586 2.754 . . . . 0.0 114.157 -169.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.107 0 CA-C-O 120.074 -0.292 . . . . 0.0 113.235 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 35.4 t -71.89 -179.22 2.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.212 1.805 . . . . 0.0 109.987 170.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.27 -40.77 7.77 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 127.376 2.27 . . . . 0.0 111.673 170.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -119.34 -28.12 5.46 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -174.242 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.5 m -82.51 -51.62 7.63 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.471 1.108 . . . . 0.0 111.797 -170.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.427 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 109.72 28.03 4.4 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 126.525 2.012 . . . . 0.0 115.855 174.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.84 150.67 38.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.981 1.712 . . . . 0.0 111.223 -167.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.33 49.89 0.61 Allowed 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.157 1.344 . . . . 0.0 114.109 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.72 4.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 120.791 -1.193 . . . . 0.0 111.83 173.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -170.75 -172.59 1.21 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.938 1.295 . . . . 0.0 110.595 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.44 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 128.063 2.545 . . . . 0.0 111.552 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -58.35 -34.12 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.297 1.439 . . . . 0.0 113.408 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -24.22 67.65 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.878 0.871 . . . . 0.0 113.002 175.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.56 -26.73 13.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.598 1.159 . . . . 0.0 112.487 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.488 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.0 t -77.99 -72.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.056 1.342 . . . . 0.0 110.853 175.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p 61.0 0.15 0.36 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.266 2.227 . . . . 0.0 115.559 -168.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.73 27.52 0.73 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -156.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' O ' ' HE2' ' A' ' 5' ' ' LYS 0.253 0.1 OUTLIER . . . . . 0 C--O 1.25 1.115 0 C-N-CA 130.631 3.573 . . . . 0.0 119.11 178.279 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 114.3 0.48 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -53.52 154.02 3.83 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.37 1.081 . . . . 0.0 110.434 173.375 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -61.77 -52.93 62.19 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 112.487 175.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.96 -33.41 6.72 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.721 1.209 . . . . 0.0 113.265 -176.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.7 m -73.33 -68.75 0.47 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.999 0.919 . . . . 0.0 109.736 -171.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 112.71 33.88 1.98 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.816 1.198 . . . . 0.0 116.021 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -129.42 9.3 5.56 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 57.37 20.21 5.73 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.89 -34.7 52.34 Favored Glycine 0 CA--C 1.525 0.704 0 O-C-N 121.132 -0.98 . . . . 0.0 112.4 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -164.71 -160.18 0.5 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.376 1.47 . . . . 0.0 111.367 172.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.12 175.73 5.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.696 2.798 . . . . 0.0 112.924 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 mtm -52.97 -39.77 63.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -24.08 67.69 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.04 -11.93 15.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.744 1.218 . . . . 0.0 113.288 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 34.1 t -84.5 -72.95 0.45 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.161 1.785 . . . . 0.0 110.064 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 p 56.46 19.6 4.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.596 1.558 . . . . 0.0 113.717 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -85.77 -0.41 55.17 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -163.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 . . . . . 0 C--O 1.266 1.936 0 C-N-CA 126.934 2.093 . . . . 0.0 111.96 -167.371 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.881 0 CA-C-O 119.447 -0.641 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -54.55 142.59 27.22 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.923 0.889 . . . . 0.0 110.564 174.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -54.63 -50.6 67.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.76 1.624 . . . . 0.0 113.355 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.91 -22.36 11.9 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.5 m -93.87 -39.41 10.71 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.999 0.92 . . . . 0.0 112.707 -168.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.89 39.14 10.57 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.417 1.008 . . . . 0.0 115.231 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 5.6 mtmp? -136.35 9.5 3.19 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -165.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 54.23 25.39 5.75 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.12 -39.64 15.69 Favored Glycine 0 CA--C 1.525 0.713 0 O-C-N 120.368 -1.458 . . . . 0.0 112.647 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -169.17 -165.98 0.58 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.106 1.362 . . . . 0.0 111.861 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.401 ' HG3' ' H ' ' A' ' 13' ' ' MET . 2.9 tp-100 -112.67 177.7 4.54 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.168 1.787 . . . . 0.0 112.18 172.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.401 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -57.85 -32.95 68.15 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.621 1.169 . . . . 0.0 113.744 -164.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -67.13 -23.04 65.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.873 1.669 . . . . 0.0 113.987 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.45 -20.75 15.0 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.004 1.322 . . . . 0.0 112.313 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 47.3 t -85.04 -68.1 0.75 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.599 1.96 . . . . 0.0 112.848 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p 53.38 18.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.749 2.42 . . . . 0.0 115.125 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -82.69 2.93 31.23 Favored 'General case' 0 CA--C 1.558 1.286 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -161.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 . . . . . 0 N--CA 1.493 1.72 0 C-N-CA 127.081 2.153 . . . . 0.0 113.225 -168.36 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.517 0 CA-C-O 118.432 -1.205 . . . . 0.0 113.226 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.474 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.1 t -62.91 153.41 33.53 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.945 1.373 . . . . 0.0 110.415 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -58.07 6.85 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.841 0.856 . . . . 0.0 111.114 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -23.52 11.15 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.653 1.181 . . . . 0.0 114.013 -171.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.416 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 35.4 m -79.61 -54.09 6.22 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.035 0.934 . . . . 0.0 112.193 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.474 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 99.37 30.27 6.67 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.821 2.153 . . . . 0.0 115.779 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -129.39 11.29 5.83 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 -162.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 53.64 29.33 9.16 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.68 -36.43 7.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 120.952 -1.093 . . . . 0.0 113.941 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -166.28 -165.48 0.78 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.843 1.657 . . . . 0.0 109.918 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -117.56 176.45 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.625 1.97 . . . . 0.0 110.921 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.1 mtm -49.55 -38.88 32.75 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.078 1.351 . . . . 0.0 113.693 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -17.76 60.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.969 1.708 . . . . 0.0 114.35 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.31 -22.33 10.96 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.395 1.478 . . . . 0.0 113.767 172.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 16.2 t -77.82 -68.55 0.62 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.763 1.625 . . . . 0.0 110.409 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.5 t 39.94 42.29 1.04 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.66 1.984 . . . . 0.0 113.418 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.61 15.82 26.85 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -174.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 127.953 2.501 . . . . 0.0 116.058 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 113.616 0.206 . . . . 0.0 113.616 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -59.05 151.93 21.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.11 0.564 . . . . 0.0 110.995 174.141 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -61.24 -50.49 72.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.482 1.113 . . . . 0.0 113.208 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -39.53 6.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.13 0.972 . . . . 0.0 112.594 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.2 m -70.67 -52.59 20.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 113.054 -168.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 91.17 43.26 4.73 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.662 1.125 . . . . 0.0 114.501 176.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -138.42 9.14 2.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 -167.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 53.44 37.2 25.04 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.57 -46.16 5.28 Favored Glycine 0 C--N 1.338 0.685 0 O-C-N 121.48 -0.763 . . . . 0.0 113.255 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -165.26 -168.04 1.3 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.968 1.707 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -109.62 176.69 4.98 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.525 2.33 . . . . 0.0 111.156 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.49 -36.04 75.26 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.049 -167.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -59.53 -13.96 11.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.787 1.635 . . . . 0.0 114.906 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.62 -8.64 9.01 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 42.0 t -85.74 -71.25 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.935 1.694 . . . . 0.0 109.853 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.369 0.6 OUTLIER 55.39 12.46 0.74 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.935 2.494 . . . . 0.0 115.003 -173.775 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -83.41 -1.86 54.46 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -161.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 C-N-CA 126.421 1.888 . . . . 0.0 114.149 -175.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.792 0 CA-C-O 120.206 -0.219 . . . . 0.0 112.771 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -58.79 146.14 38.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.875 0.47 . . . . 0.0 110.995 176.584 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -50.93 -56.09 14.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 113.018 165.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.39 -36.02 6.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 13.0 m -71.29 -57.9 4.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.498 0.666 . . . . 0.0 110.906 -172.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.468 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 104.94 23.4 7.79 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.634 2.064 . . . . 0.0 115.685 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -125.42 4.37 7.67 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -162.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 60.24 29.13 18.75 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.3 -45.7 7.33 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.527 -0.733 . . . . 0.0 111.704 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -159.03 -171.32 3.34 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -102.27 168.48 9.32 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 129.473 3.109 . . . . 0.0 112.482 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.6 mtp -49.06 -38.64 24.81 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.218 1.807 . . . . 0.0 113.513 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.01 -19.26 63.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.888 1.675 . . . . 0.0 114.604 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.96 -22.23 13.5 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.347 1.459 . . . . 0.0 112.975 172.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.507 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 7.7 t -78.44 -75.22 0.24 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.154 2.181 . . . . 0.0 110.537 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p 54.38 17.65 1.63 Allowed 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 126.53 1.932 . . . . 0.0 112.771 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.03 4.97 53.09 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -161.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.374 2.4 ptt180 . . . . . 0 N--CA 1.486 1.37 0 C-N-CA 129.572 3.149 . . . . 0.0 116.566 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 5.6 t -54.8 165.62 0.6 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.412 1.485 . . . . 0.0 112.94 171.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.76 -37.3 30.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 126.735 2.014 . . . . 0.0 112.895 171.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -35.57 2.91 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -173.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.0 m -70.7 -55.2 9.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.977 0.911 . . . . 0.0 109.812 -171.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.439 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 110.2 24.24 5.77 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.604 2.05 . . . . 0.0 114.914 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -136.5 151.1 49.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.878 2.071 . . . . 0.0 108.956 -169.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -74.92 49.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.179 1.354 . . . . 0.0 113.103 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.4 -41.1 6.23 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 120.814 -1.179 . . . . 0.0 112.84 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -168.62 -175.62 2.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.249 1.42 . . . . 0.0 111.552 -174.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -125.83 175.55 7.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.529 2.732 . . . . 0.0 110.669 171.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -55.5 -33.55 63.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.652 1.181 . . . . 0.0 114.142 -158.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -63.84 -35.87 82.04 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.149 1.379 . . . . 0.0 113.18 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 -22.69 20.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.233 0.613 . . . . 0.0 112.581 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.0 t -77.76 -78.22 0.14 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.681 1.992 . . . . 0.0 110.906 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 1.5 p 58.64 16.28 4.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 129.261 3.025 . . . . 0.0 115.564 -167.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -89.74 14.25 12.27 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 -158.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.213 2.605 . . . . 0.0 115.683 -173.807 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.379 0 N-CA-C 111.814 -0.515 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.468 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.3 t -65.34 175.4 1.72 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 124.295 1.998 . . . . 0.0 111.45 167.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -93.47 -57.67 2.52 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 128.451 2.7 . . . . 0.0 111.26 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 -30.59 12.84 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.1 m -76.26 -53.98 7.44 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.844 0.831 . . . . 0.0 110.709 -172.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.468 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 97.53 34.73 5.43 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 127.212 2.339 . . . . 0.0 115.41 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -147.62 155.67 42.03 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.019 1.728 . . . . 0.0 108.94 -169.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -76.77 50.86 0.73 Allowed 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.77 1.168 . . . . 0.0 114.017 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.68 5.79 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 120.532 -1.355 . . . . 0.0 112.801 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -169.82 -168.15 0.74 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.654 1.182 . . . . 0.0 111.166 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -119.92 174.35 6.51 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 128.282 2.633 . . . . 0.0 111.084 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtp -52.55 -38.7 60.33 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.186 1.394 . . . . 0.0 113.379 -170.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -20.79 66.09 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.561 1.544 . . . . 0.0 114.265 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.01 -27.52 12.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 9.9 t -73.64 -74.77 0.17 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.353 1.461 . . . . 0.0 110.869 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.314 0.6 OUTLIER 57.82 1.88 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 129.728 3.211 . . . . 0.0 116.601 -170.097 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.46 12.0 3.31 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 -158.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 128.179 2.592 . . . . 0.0 115.037 -174.13 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.735 0 CA-C-O 119.486 -0.619 . . . . 0.0 113.52 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -61.59 153.92 26.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.775 0.798 . . . . 0.0 110.622 172.036 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -66.28 -45.79 79.24 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.747 1.619 . . . . 0.0 113.9 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.537 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -112.55 -28.67 7.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.671 1.188 . . . . 0.0 113.803 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -81.57 -59.0 2.77 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.268 1.427 . . . . 0.0 112.29 -172.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 95.47 40.53 4.17 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.513 1.054 . . . . 0.0 114.97 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.07 12.67 4.71 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -170.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 53.96 20.19 2.31 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.69 -38.93 30.64 Favored Glycine 0 C--N 1.338 0.646 0 O-C-N 120.838 -1.164 . . . . 0.0 112.31 -171.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -166.54 -173.25 2.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 112.871 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.94 167.83 10.01 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.352 1.861 . . . . 0.0 111.938 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -40.52 68.34 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -20.21 5.94 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 129.053 2.941 . . . . 0.0 115.487 173.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.48 -21.89 10.1 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.057 2.143 . . . . 0.0 111.503 -177.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 43.2 t -79.84 -74.11 0.32 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.02 1.728 . . . . 0.0 110.459 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.4 t 44.55 34.87 1.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.854 2.061 . . . . 0.0 112.222 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 3.6 mt-10 -99.53 19.58 15.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 119.484 -2.01 . . . . 0.0 115.84 -175.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.537 ' C ' ' HE3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 129.535 3.134 . . . . 0.0 116.294 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.263 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 7.7 t -64.56 171.81 3.04 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.915 1.686 . . . . 0.0 110.924 167.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -84.77 -48.94 8.9 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 126.591 1.956 . . . . 0.0 111.798 168.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -115.45 -29.86 6.4 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -174.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.409 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 34.4 m -74.54 -41.61 60.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.976 0.91 . . . . 0.0 111.628 -173.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 102.19 22.46 9.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 127.241 2.353 . . . . 0.0 116.066 171.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -144.79 157.5 44.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.167 1.387 . . . . 0.0 110.242 -163.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.59 43.41 0.48 Allowed 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 113.407 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.66 -38.27 10.86 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.856 -0.969 . . . . 0.0 112.585 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 3.0 p-80 -170.09 -173.39 1.52 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.612 1.165 . . . . 0.0 111.853 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.67 170.45 8.13 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.199 2.999 . . . . 0.0 111.751 170.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.9 mtp -46.14 -42.93 14.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.604 1.562 . . . . 0.0 113.03 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -63.58 -25.13 68.1 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.058 1.743 . . . . 0.0 114.579 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.82 -14.3 15.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.462 1.505 . . . . 0.0 114.262 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 30.3 t -77.97 -83.3 0.08 Allowed 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 127.252 2.221 . . . . 0.0 109.284 172.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.322 1.7 t 43.27 41.7 3.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.976 1.71 . . . . 0.0 109.287 -169.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 69.2 mm-40 -100.43 17.59 21.19 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.397 -2.065 . . . . 0.0 114.797 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' OXT' ' HE2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 128.674 2.789 . . . . 0.0 115.879 172.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.374 0 CA-C-O 119.301 -0.722 . . . . 0.0 114.181 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -59.33 162.95 4.23 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.104 0.954 . . . . 0.0 110.298 170.437 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -62.44 1.4 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.342 1.057 . . . . 0.0 110.648 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -40.25 8.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.88 0.872 . . . . 0.0 112.473 -174.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -65.43 -64.8 0.78 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.743 1.217 . . . . 0.0 110.365 -174.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.444 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 94.96 48.38 2.47 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.823 1.202 . . . . 0.0 113.432 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -137.07 13.96 3.07 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 53.52 28.35 7.63 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.41 -39.79 8.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.138 -0.976 . . . . 0.0 112.444 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -159.6 -162.15 1.0 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.348 1.059 . . . . 0.0 112.162 178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -118.95 171.94 7.89 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 127.094 2.157 . . . . 0.0 111.237 169.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.6 mtm -38.26 -44.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 128.069 2.548 . . . . 0.0 114.187 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -16.25 63.29 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.149 1.38 . . . . 0.0 114.655 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -10.34 11.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.626 1.97 . . . . 0.0 113.913 172.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.2 t -88.42 -71.21 0.6 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.905 2.082 . . . . 0.0 110.184 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 13.6 t 45.94 40.19 6.5 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.338 1.855 . . . . 0.0 113.271 -173.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.48 11.76 37.22 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 . . . . . 0 N--CA 1.487 1.417 0 C-N-CA 126.56 1.944 . . . . 0.0 114.32 -177.646 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 CA-C-O 119.206 -0.775 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -60.8 146.35 46.51 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.228 1.014 . . . . 0.0 110.15 176.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.775 1.63 . . . . 0.0 112.694 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -29.1 5.74 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -175.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.548 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 7.8 m -83.76 -45.08 13.74 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.225 1.41 . . . . 0.0 114.035 -167.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 31.59 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 125.753 1.644 . . . . 0.0 116.111 174.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -136.57 11.46 3.2 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -163.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 52.23 28.64 5.77 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.83 -46.46 13.94 Favored Glycine 0 C--N 1.337 0.605 0 O-C-N 120.772 -1.205 . . . . 0.0 111.297 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.487 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -161.89 -160.61 0.7 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.053 1.741 . . . . 0.0 110.23 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.0 175.58 5.99 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 127.271 2.229 . . . . 0.0 110.143 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -35.41 51.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.854 0.862 . . . . 0.0 112.801 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -28.48 68.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.777 1.631 . . . . 0.0 113.748 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -20.54 13.48 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.426 1.49 . . . . 0.0 112.311 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.1 t -76.34 -75.66 0.18 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.348 1.459 . . . . 0.0 109.932 174.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.8 t 42.42 42.86 2.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.614 1.565 . . . . 0.0 112.215 -171.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -100.22 -0.35 38.86 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ttp85 . . . . . 0 N--CA 1.494 1.769 0 C-N-CA 126.886 2.074 . . . . 0.0 113.407 -173.555 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.111 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 5.5 t -62.0 172.97 1.19 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 123.565 1.65 . . . . 0.0 112.451 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -83.16 -48.24 10.74 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 127.429 2.292 . . . . 0.0 112.525 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.485 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -118.06 -29.58 5.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.529 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 8.2 m -69.77 -50.49 42.66 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.438 1.095 . . . . 0.0 111.405 -176.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.441 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 98.08 30.86 6.84 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.991 2.234 . . . . 0.0 115.476 172.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -142.94 153.75 43.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.21 2.204 . . . . 0.0 108.879 -169.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.21 47.25 0.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.604 1.547 . . . . 0.0 113.627 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.52 -34.37 8.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 120.545 -1.347 . . . . 0.0 113.993 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.3 p-80 -172.76 -167.92 0.47 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.038 1.735 . . . . 0.0 110.802 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HG3' ' H ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -123.0 176.95 5.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.607 1.963 . . . . 0.0 111.367 165.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.414 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 40.4 mtm -43.41 -41.51 4.26 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.974 2.11 . . . . 0.0 113.605 -174.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -68.5 -19.15 64.51 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.612 1.565 . . . . 0.0 114.816 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.45 -22.13 12.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.241 1.016 . . . . 0.0 112.453 171.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.3 t -68.49 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.037 2.135 . . . . 0.0 110.212 174.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p 63.7 -3.32 0.43 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.467 2.307 . . . . 0.0 115.433 -164.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -83.08 21.28 1.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -151.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.485 ' C ' ' HE3' ' A' ' 5' ' ' LYS 0.292 2.6 ptm180 . . . . . 0 N--CA 1.49 1.541 1 C-N-CA 131.702 4.001 . . . . 0.0 120.32 177.958 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.463 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.487 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 9.8 t -60.1 168.99 1.69 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 123.669 1.699 . . . . 0.0 112.168 169.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -89.62 -40.78 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.332 2.253 . . . . 0.0 112.74 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -28.81 7.02 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 27.5 m -80.9 -57.67 3.44 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.872 0.844 . . . . 0.0 110.44 -170.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.487 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.62 19.88 5.98 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 127.14 2.305 . . . . 0.0 114.89 174.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -129.38 150.1 50.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.379 2.272 . . . . 0.0 110.177 -170.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.82 50.16 0.34 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 114.159 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.24 -46.5 4.99 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 120.679 -1.263 . . . . 0.0 113.522 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.5 p-80 -173.56 -167.37 0.38 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.777 1.631 . . . . 0.0 110.759 176.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -111.83 178.21 4.39 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 128.031 2.533 . . . . 0.0 111.395 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -30.81 71.36 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.19 -0.944 . . . . 0.0 112.541 -169.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -13.91 6.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 169.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.86 -23.83 4.95 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.529 1.131 . . . . 0.0 113.216 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.6 t -80.65 -72.3 0.42 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.713 1.205 . . . . 0.0 110.537 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.327 5.5 t 49.1 40.97 18.64 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.508 1.923 . . . . 0.0 111.857 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -104.67 10.68 34.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 -174.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 . . . . . 0 N--CA 1.487 1.41 0 C-N-CA 127.017 2.127 . . . . 0.0 114.432 -176.61 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.057 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.6 t -70.02 171.7 9.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.122 1.769 . . . . 0.0 111.765 167.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -81.52 -58.84 2.85 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 127.243 2.217 . . . . 0.0 111.07 169.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -106.2 -29.76 9.63 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 56.0 m -73.29 -46.43 49.71 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.756 0.707 . . . . 0.0 112.302 -169.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 105.06 17.35 14.28 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 127.062 2.268 . . . . 0.0 115.215 173.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -132.67 154.04 50.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 127.089 2.155 . . . . 0.0 109.738 -166.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -76.52 50.7 0.68 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 120.397 1.453 . . . . 0.0 112.461 169.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.18 -39.99 5.92 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.29 0.947 . . . . 0.0 113.557 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.532 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.7 p-80 -174.7 177.53 2.07 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.577 1.551 . . . . 0.0 110.499 -174.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -110.57 179.83 3.96 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.925 1.69 . . . . 0.0 110.816 168.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.2 mtp -52.65 -36.59 57.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.396 1.078 . . . . 0.0 112.063 -169.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -63.37 -17.06 62.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.464 1.906 . . . . 0.0 115.277 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.5 -2.53 9.97 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.651 1.58 . . . . 0.0 113.01 174.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.532 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 15.2 t -91.09 -75.04 0.48 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.95 1.7 . . . . 0.0 109.155 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.344 0.7 OUTLIER 51.22 18.85 0.65 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.732 2.413 . . . . 0.0 114.495 -168.267 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.51 7.99 38.61 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -162.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 12.3 ttt-85 . . . . . 0 N--CA 1.493 1.713 0 C-N-CA 128.649 2.78 . . . . 0.0 114.972 -175.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.753 0 N-CA-C 114.398 0.519 . . . . 0.0 114.398 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 9.7 t -62.98 149.55 44.55 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.788 0.804 . . . . 0.0 110.43 173.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.438 ' CG ' ' HG2' ' A' ' 13' ' ' MET . 10.6 t90 -60.29 -52.77 63.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.101 1.76 . . . . 0.0 113.791 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 -31.42 7.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 10.2 m -82.19 -38.84 24.02 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -166.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.17 44.52 11.44 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.066 1.317 . . . . 0.0 114.965 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -136.13 6.32 3.09 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -167.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 56.36 23.9 7.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.06 -37.02 13.32 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.891 -1.13 . . . . 0.0 113.724 -169.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.1 p-80 -169.25 -162.97 0.38 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.994 1.718 . . . . 0.0 110.629 174.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.12 174.27 5.95 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 125.631 1.572 . . . . 0.0 112.387 171.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.438 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 8.0 mtm -52.6 -35.91 55.23 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.957 0.903 . . . . 0.0 112.864 -175.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -63.37 -24.38 67.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.861 1.264 . . . . 0.0 113.689 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.48 -26.93 12.67 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.66 1.184 . . . . 0.0 112.794 177.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 37.4 t -74.46 -71.08 0.36 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.434 1.894 . . . . 0.0 111.448 175.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 p 56.38 13.9 1.43 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.913 2.485 . . . . 0.0 115.311 -171.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.66 15.11 2.75 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -156.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 . . . . . 0 C--O 1.258 1.54 0 C-N-CA 125.963 1.705 . . . . 0.0 112.197 -174.262 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.398 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.2 t -59.71 174.59 0.44 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 123.166 1.46 . . . . 0.0 112.78 170.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.97 -54.4 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.683 1.993 . . . . 0.0 111.148 167.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -26.77 8.78 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 41.5 m -73.57 -38.8 65.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.828 0.74 . . . . 0.0 112.542 -174.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.01 30.33 17.73 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.365 1.936 . . . . 0.0 115.205 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -145.38 147.12 31.92 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.478 1.911 . . . . 0.0 109.434 -166.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.09 40.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.661 1.119 . . . . 0.0 113.713 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.42 -44.58 7.87 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 120.722 -1.236 . . . . 0.0 111.898 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.2 p-80 -162.37 -172.56 3.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.316 1.046 . . . . 0.0 112.63 -178.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.07 173.2 6.42 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.498 2.319 . . . . 0.0 111.801 166.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.2 mtm -46.45 -43.47 16.6 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 125.08 1.352 . . . . 0.0 112.82 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -59.08 -26.25 64.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.02 -25.34 14.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.47 0.708 . . . . 0.0 112.376 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.514 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 17.9 t -70.13 -73.57 0.16 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.916 1.687 . . . . 0.0 110.653 177.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.301 9.3 t 47.34 37.93 6.61 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.362 1.865 . . . . 0.0 114.363 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -100.97 14.2 32.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -174.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 127.561 2.344 . . . . 0.0 116.631 -178.66 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.752 0.31 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.58 -120.4 1.06 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 125.178 1.371 . . . . 0.0 111.541 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 12.0 t -59.24 179.75 0.09 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.046 1.739 . . . . 0.0 111.482 169.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -99.82 -48.77 4.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 126.494 1.917 . . . . 0.0 111.451 173.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.471 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -108.92 -22.26 12.26 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.7 m -86.72 -61.87 1.63 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.37 0.605 . . . . 0.0 110.92 -171.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.56 33.74 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.528 1.537 . . . . 0.0 114.503 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -144.45 149.93 36.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 110.459 -171.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.05 38.46 0.07 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.17 1.388 . . . . 0.0 114.315 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.26 -51.27 10.21 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 120.458 -1.402 . . . . 0.0 112.073 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.464 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -168.7 -161.98 0.36 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.027 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.85 175.41 5.45 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 129.377 3.071 . . . . 0.0 112.383 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.51 74.22 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.185 -168.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -14.86 62.94 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.694 1.134 . . . . 0.0 114.015 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.09 -19.81 13.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 112.951 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 8.9 t -86.51 -77.06 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.933 1.693 . . . . 0.0 109.865 172.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 p 64.59 8.04 4.14 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 127.374 2.27 . . . . 0.0 114.64 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -80.23 19.86 0.72 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -154.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 9.5 tmm_? . . . . . 0 C--O 1.26 1.638 0 C-N-CA 126.354 1.862 . . . . 0.0 112.442 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.634 1 O4'-C1'-N19 113.782 7.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C4'-C3' 108.728 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 1 O5'-C5'-C4' 116.138 4.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.055 1 O4'-C1'-N19 112.522 5.903 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.773 2 O4'-C1'-N19 113.832 7.539 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.268 0 O4'-C1'-N19 110.93 3.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.678 0.275 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.47 -120.19 5.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 120.152 -1.592 . . . . 0.0 114.829 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.453 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -58.66 159.75 6.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 122.237 1.018 . . . . 0.0 109.359 170.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -77.5 -38.99 47.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 124.218 1.007 . . . . 0.0 113.006 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -115.67 -34.99 4.67 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.541 1.136 . . . . 0.0 113.066 -179.416 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.461 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 6.3 m -76.43 -50.98 12.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.872 0.869 . . . . 0.0 111.808 -170.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 92.51 40.45 5.05 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.425 1.488 . . . . 0.0 113.867 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 7.0 mtmp? -133.92 9.72 3.88 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -166.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 54.34 27.39 7.99 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.72 -41.55 7.2 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.639 1.114 . . . . 0.0 112.645 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.8 p-80 -165.7 -166.92 1.01 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.958 1.303 . . . . 0.0 111.54 178.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -112.38 176.68 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 127.995 2.518 . . . . 0.0 111.67 174.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.99 -36.46 77.23 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.397 1.079 . . . . 0.0 113.532 -164.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -23.32 67.38 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.083 1.353 . . . . 0.0 113.114 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -25.44 13.84 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.453 1.501 . . . . 0.0 113.021 176.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 53.2 t -79.16 -78.26 0.16 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.965 2.106 . . . . 0.0 109.822 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.303 7.7 t 41.82 45.06 3.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.126 2.171 . . . . 0.0 111.996 -169.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -97.9 21.55 10.46 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 53.7 mtt180 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 128.586 2.754 . . . . 0.0 114.157 -169.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.289 2 O4'-C1'-N19 114.854 8.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.118 4.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.451 " H3'" ' H22' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.213 1 P-O3'-C3' 127.435 6.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.451 ' H22' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.731 1 O4'-C1'-N19 113.888 7.61 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.903 3 O4'-C1'-N19 115.378 9.473 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.375 1 O4'-C1'-N19 113.142 6.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.8 -107.46 0.67 Allowed Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.516 1.532 . . . . 0.0 113.235 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 35.4 t -71.89 -179.22 2.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.212 1.805 . . . . 0.0 109.987 170.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.455 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 0.7 OUTLIER -99.27 -40.77 7.77 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 127.376 2.27 . . . . 0.0 111.673 170.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -119.34 -28.12 5.46 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -174.242 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.5 m -82.51 -51.62 7.63 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.471 1.108 . . . . 0.0 111.797 -170.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 109.72 28.03 4.4 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 126.525 2.012 . . . . 0.0 115.855 174.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.84 150.67 38.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.981 1.712 . . . . 0.0 111.223 -167.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.33 49.89 0.61 Allowed 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.157 1.344 . . . . 0.0 114.109 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.72 4.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 120.791 -1.193 . . . . 0.0 111.83 173.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.488 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -170.75 -172.59 1.21 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.938 1.295 . . . . 0.0 110.595 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.44 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 128.063 2.545 . . . . 0.0 111.552 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -58.35 -34.12 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.297 1.439 . . . . 0.0 113.408 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -24.22 67.65 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.878 0.871 . . . . 0.0 113.002 175.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.56 -26.73 13.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.598 1.159 . . . . 0.0 112.487 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.0 t -77.99 -72.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.056 1.342 . . . . 0.0 110.853 175.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p 61.0 0.15 0.36 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.266 2.227 . . . . 0.0 115.559 -168.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.73 27.52 0.73 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -156.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' O ' ' HE2' ' A' ' 5' ' ' LYS 0.253 0.1 OUTLIER . . . . . 0 C--O 1.25 1.115 0 C-N-CA 130.631 3.573 . . . . 0.0 119.11 178.279 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 1 O4'-C1'-N19 113.285 6.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O5'-C5'-C4' 115.963 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.912 0 O5'-C5'-C4' 113.725 2.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.455 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.536 3.187 2 O4'-C1'-N19 114.37 8.212 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . 0.463 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.534 2 O4'-C1'-N19 116.218 10.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . 0.463 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.14 1 O4'-C1'-N19 112.81 6.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 119.012 -0.518 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.71 -129.33 4.09 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.94 1.257 . . . . 0.0 114.3 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -53.52 154.02 3.83 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.37 1.081 . . . . 0.0 110.434 173.375 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.429 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 2.9 t90 -61.77 -52.93 62.19 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 112.487 175.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.96 -33.41 6.72 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.721 1.209 . . . . 0.0 113.265 -176.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -73.33 -68.75 0.47 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.999 0.919 . . . . 0.0 109.736 -171.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 112.71 33.88 1.98 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.816 1.198 . . . . 0.0 116.021 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -129.42 9.3 5.56 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 57.37 20.21 5.73 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.89 -34.7 52.34 Favored Glycine 0 CA--C 1.525 0.704 0 O-C-N 121.132 -0.98 . . . . 0.0 112.4 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -164.71 -160.18 0.5 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.376 1.47 . . . . 0.0 111.367 172.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.12 175.73 5.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.696 2.798 . . . . 0.0 112.924 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 mtm -52.97 -39.77 63.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -24.08 67.69 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.04 -11.93 15.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.744 1.218 . . . . 0.0 113.288 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 34.1 t -84.5 -72.95 0.45 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.161 1.785 . . . . 0.0 110.064 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 p 56.46 19.6 4.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.596 1.558 . . . . 0.0 113.717 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -85.77 -0.41 55.17 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -163.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 . . . . . 0 C--O 1.266 1.936 0 C-N-CA 126.934 2.093 . . . . 0.0 111.96 -167.371 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.476 1 O4'-C1'-N19 112.217 5.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 1 O4'-C1'-N19 112.286 5.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.496 " H3'" ' H22' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.847 2 P-O3'-C3' 126.247 5.456 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.496 ' H22' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.422 -2.215 1 O4'-C1'-N19 115.501 9.627 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . 0.421 ' N4 ' HO3' ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.341 2 O4'-C1'-N19 119.246 14.307 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . 0.421 HO3' ' N4 ' ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 112.669 6.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.12 -137.9 14.56 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.174 1.368 . . . . 0.0 113.044 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.55 142.59 27.22 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.923 0.889 . . . . 0.0 110.564 174.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.455 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 1.0 OUTLIER -54.63 -50.6 67.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.76 1.624 . . . . 0.0 113.355 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.91 -22.36 11.9 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.42 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 3.5 m -93.87 -39.41 10.71 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.999 0.92 . . . . 0.0 112.707 -168.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.89 39.14 10.57 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.417 1.008 . . . . 0.0 115.231 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 5.6 mtmp? -136.35 9.5 3.19 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -165.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 54.23 25.39 5.75 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.12 -39.64 15.69 Favored Glycine 0 CA--C 1.525 0.713 0 O-C-N 120.368 -1.458 . . . . 0.0 112.647 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -169.17 -165.98 0.58 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.106 1.362 . . . . 0.0 111.861 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' HG3' ' H ' ' A' ' 13' ' ' MET . 2.9 tp-100 -112.67 177.7 4.54 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.168 1.787 . . . . 0.0 112.18 172.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.401 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -57.85 -32.95 68.15 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.621 1.169 . . . . 0.0 113.744 -164.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -67.13 -23.04 65.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.873 1.669 . . . . 0.0 113.987 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.45 -20.75 15.0 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.004 1.322 . . . . 0.0 112.313 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 47.3 t -85.04 -68.1 0.75 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.599 1.96 . . . . 0.0 112.848 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p 53.38 18.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.749 2.42 . . . . 0.0 115.125 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -82.69 2.93 31.23 Favored 'General case' 0 CA--C 1.558 1.286 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -161.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HB2' ' C6 ' ' B' ' 22' ' ' ' DC' . 27.3 ttp180 . . . . . 0 N--CA 1.493 1.72 0 C-N-CA 127.081 2.153 . . . . 0.0 113.225 -168.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 2 O4'-C1'-N19 112.751 6.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.85 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.439 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 1 C5'--C4' 1.543 4.006 2 O4'-C1'-N19 111.853 5.067 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.455 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.538 3.415 1 O4'-C1'-N19 113.967 7.708 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.467 1 O4'-C1'-N19 119.635 14.794 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.749 2 O4'-C1'-N19 113.072 6.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.46 -118.54 0.65 Allowed Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.218 1.39 . . . . 0.0 113.226 -171.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.474 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.1 t -62.91 153.41 33.53 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.945 1.373 . . . . 0.0 110.415 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -58.07 6.85 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.841 0.856 . . . . 0.0 111.114 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -23.52 11.15 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.653 1.181 . . . . 0.0 114.013 -171.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.61 -54.09 6.22 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.035 0.934 . . . . 0.0 112.193 -172.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 99.37 30.27 6.67 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.821 2.153 . . . . 0.0 115.779 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -129.39 11.29 5.83 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 -162.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 53.64 29.33 9.16 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.68 -36.43 7.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 120.952 -1.093 . . . . 0.0 113.941 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.402 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -166.28 -165.48 0.78 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.843 1.657 . . . . 0.0 109.918 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -117.56 176.45 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.625 1.97 . . . . 0.0 110.921 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.1 mtm -49.55 -38.88 32.75 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.078 1.351 . . . . 0.0 113.693 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -17.76 60.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.969 1.708 . . . . 0.0 114.35 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.31 -22.33 10.96 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.395 1.478 . . . . 0.0 113.767 172.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 16.2 t -77.82 -68.55 0.62 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.763 1.625 . . . . 0.0 110.409 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.5 t 39.94 42.29 1.04 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.66 1.984 . . . . 0.0 113.418 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.61 15.82 26.85 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -174.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 127.953 2.501 . . . . 0.0 116.058 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 1 O4'-C1'-N19 114.015 7.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 1 O4'-C4'-C3' 109.726 4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.484 " H3'" ' H22' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.796 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.484 ' H22' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.741 1 O4'-C1'-N19 115.079 9.098 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 3 O4'-C1'-N19 116.427 10.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.314 4.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 119.74 -0.171 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.02 -129.96 5.92 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 123.841 0.734 . . . . 0.0 113.616 -175.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.417 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -59.05 151.93 21.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.11 0.564 . . . . 0.0 110.995 174.141 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.529 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 1.1 t90 -61.24 -50.49 72.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.482 1.113 . . . . 0.0 113.208 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -39.53 6.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.13 0.972 . . . . 0.0 112.594 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -70.67 -52.59 20.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 113.054 -168.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 91.17 43.26 4.73 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.662 1.125 . . . . 0.0 114.501 176.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -138.42 9.14 2.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 -167.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 53.44 37.2 25.04 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.57 -46.16 5.28 Favored Glycine 0 C--N 1.338 0.685 0 O-C-N 121.48 -0.763 . . . . 0.0 113.255 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -165.26 -168.04 1.3 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.968 1.707 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -109.62 176.69 4.98 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.525 2.33 . . . . 0.0 111.156 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.49 -36.04 75.26 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.049 -167.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -59.53 -13.96 11.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.787 1.635 . . . . 0.0 114.906 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.62 -8.64 9.01 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 42.0 t -85.74 -71.25 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.935 1.694 . . . . 0.0 109.853 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.369 0.6 OUTLIER 55.39 12.46 0.74 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.935 2.494 . . . . 0.0 115.003 -173.775 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -83.41 -1.86 54.46 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -161.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HB2' ' C6 ' ' B' ' 22' ' ' ' DC' . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 C-N-CA 126.421 1.888 . . . . 0.0 114.149 -175.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 115.564 9.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 1 O4'-C4'-C3' 109.681 4.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.413 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -3.012 2 O4'-C1'-N19 112.437 5.796 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.529 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 O4'--C4' 1.414 -2.868 1 O4'-C1'-N19 115.046 9.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . 0.433 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.646 1 O4'-C1'-N19 117.192 11.74 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . 0.433 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.489 0 C4'-C3'-C2' 99.942 -3.258 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.93 -127.34 7.38 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 125.487 1.518 . . . . 0.0 112.771 -171.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.468 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -58.79 146.14 38.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.875 0.47 . . . . 0.0 110.995 176.584 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.46 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 9.7 t90 -50.93 -56.09 14.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 113.018 165.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.39 -36.02 6.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.0 m -71.29 -57.9 4.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.498 0.666 . . . . 0.0 110.906 -172.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.468 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 104.94 23.4 7.79 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.634 2.064 . . . . 0.0 115.685 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -125.42 4.37 7.67 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -162.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 60.24 29.13 18.75 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.3 -45.7 7.33 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.527 -0.733 . . . . 0.0 111.704 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -159.03 -171.32 3.34 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -102.27 168.48 9.32 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 129.473 3.109 . . . . 0.0 112.482 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.6 mtp -49.06 -38.64 24.81 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.218 1.807 . . . . 0.0 113.513 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.01 -19.26 63.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.888 1.675 . . . . 0.0 114.604 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.96 -22.23 13.5 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.347 1.459 . . . . 0.0 112.975 172.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.507 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 7.7 t -78.44 -75.22 0.24 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.154 2.181 . . . . 0.0 110.537 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p 54.38 17.65 1.63 Allowed 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 126.53 1.932 . . . . 0.0 112.771 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.03 4.97 53.09 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -161.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.374 2.4 ptt180 . . . . . 0 N--CA 1.486 1.37 0 C-N-CA 129.572 3.149 . . . . 0.0 116.566 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.555 0 O4'-C1'-N19 110.625 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 2 P-O3'-C3' 126.085 5.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.433 " H3'" ' H22' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.812 1 O5'-C5'-C4' 116.033 4.166 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.46 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.534 2.837 1 O4'-C1'-N19 113.963 7.704 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . 0.411 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.185 2 O4'-C1'-N19 117.099 11.623 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . 0.411 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 112.307 5.634 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.85 -129.82 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.737 1.637 . . . . 0.0 111.398 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.439 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.6 t -54.8 165.62 0.6 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.412 1.485 . . . . 0.0 112.94 171.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.466 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 0.7 OUTLIER -80.76 -37.3 30.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 126.735 2.014 . . . . 0.0 112.895 171.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -35.57 2.91 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -173.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.0 m -70.7 -55.2 9.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.977 0.911 . . . . 0.0 109.812 -171.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 110.2 24.24 5.77 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.604 2.05 . . . . 0.0 114.914 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -136.5 151.1 49.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.878 2.071 . . . . 0.0 108.956 -169.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -74.92 49.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.179 1.354 . . . . 0.0 113.103 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.4 -41.1 6.23 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 120.814 -1.179 . . . . 0.0 112.84 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -168.62 -175.62 2.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.249 1.42 . . . . 0.0 111.552 -174.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -125.83 175.55 7.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.529 2.732 . . . . 0.0 110.669 171.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -55.5 -33.55 63.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.652 1.181 . . . . 0.0 114.142 -158.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -63.84 -35.87 82.04 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.149 1.379 . . . . 0.0 113.18 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 -22.69 20.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.233 0.613 . . . . 0.0 112.581 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.0 t -77.76 -78.22 0.14 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.681 1.992 . . . . 0.0 110.906 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 1.5 p 58.64 16.28 4.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 129.261 3.025 . . . . 0.0 115.564 -167.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -89.74 14.25 12.27 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 -158.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.213 2.605 . . . . 0.0 115.683 -173.807 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.088 1 O4'-C1'-N19 112.436 5.795 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.664 1 C4'-C3'-C2' 99.147 -4.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 1 O4'-C1'-N19 111.266 4.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.466 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.54 3.576 2 O4'-C1'-N19 114.313 8.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.57 3 O4'-C1'-N19 111.352 4.44 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 O4'-C1'-N19 118.335 13.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.2 pttp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.34 -121.75 8.36 Favored Glycine 0 CA--C 1.536 1.379 0 O-C-N 121.385 -0.822 . . . . 0.0 111.814 -174.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.468 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.3 t -65.34 175.4 1.72 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 124.295 1.998 . . . . 0.0 111.45 167.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.434 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 2.6 t90 -93.47 -57.67 2.52 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 128.451 2.7 . . . . 0.0 111.26 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 -30.59 12.84 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -76.26 -53.98 7.44 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.844 0.831 . . . . 0.0 110.709 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.468 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 97.53 34.73 5.43 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 127.212 2.339 . . . . 0.0 115.41 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -147.62 155.67 42.03 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.019 1.728 . . . . 0.0 108.94 -169.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -76.77 50.86 0.73 Allowed 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.77 1.168 . . . . 0.0 114.017 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.68 5.79 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 120.532 -1.355 . . . . 0.0 112.801 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -169.82 -168.15 0.74 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.654 1.182 . . . . 0.0 111.166 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -119.92 174.35 6.51 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 128.282 2.633 . . . . 0.0 111.084 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtp -52.55 -38.7 60.33 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.186 1.394 . . . . 0.0 113.379 -170.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -20.79 66.09 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.561 1.544 . . . . 0.0 114.265 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.01 -27.52 12.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 9.9 t -73.64 -74.77 0.17 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.353 1.461 . . . . 0.0 110.869 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.314 0.6 OUTLIER 57.82 1.88 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 129.728 3.211 . . . . 0.0 116.601 -170.097 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.46 12.0 3.31 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 -158.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 128.179 2.592 . . . . 0.0 115.037 -174.13 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.669 0 O4'-C1'-N19 110.494 3.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.207 1 P-O3'-C3' 126.532 5.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.848 0 N19-C1'-C2' 119.639 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.434 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.541 3.746 2 O4'-C1'-N19 113.492 7.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . 0.441 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.427 2 O4'-C1'-N19 116.443 10.804 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . 0.441 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.75 1 O4'-C1'-N19 116.05 10.313 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -125.68 -123.05 2.65 Favored Glycine 0 N--CA 1.467 0.735 0 C-N-CA 124.001 0.81 . . . . 0.0 113.52 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -61.59 153.92 26.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.775 0.798 . . . . 0.0 110.622 172.036 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.47 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 1.6 t90 -66.28 -45.79 79.24 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.747 1.619 . . . . 0.0 113.9 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -112.55 -28.67 7.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.671 1.188 . . . . 0.0 113.803 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 m -81.57 -59.0 2.77 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.268 1.427 . . . . 0.0 112.29 -172.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 95.47 40.53 4.17 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.513 1.054 . . . . 0.0 114.97 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.07 12.67 4.71 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -170.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 53.96 20.19 2.31 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.69 -38.93 30.64 Favored Glycine 0 C--N 1.338 0.646 0 O-C-N 120.838 -1.164 . . . . 0.0 112.31 -171.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -166.54 -173.25 2.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 112.871 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.94 167.83 10.01 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.352 1.861 . . . . 0.0 111.938 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -40.52 68.34 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -20.21 5.94 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 129.053 2.941 . . . . 0.0 115.487 173.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.48 -21.89 10.1 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.057 2.143 . . . . 0.0 111.503 -177.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 43.2 t -79.84 -74.11 0.32 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.02 1.728 . . . . 0.0 110.459 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.4 t 44.55 34.87 1.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.854 2.061 . . . . 0.0 112.222 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 3.6 mt-10 -99.53 19.58 15.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 119.484 -2.01 . . . . 0.0 115.84 -175.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.537 ' C ' ' HE3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 129.535 3.134 . . . . 0.0 116.294 175.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 1 O4'-C1'-N19 113.86 7.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C4'-C3' 108.864 3.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 1 O4'-C1'-C2' 100.969 -4.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.47 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 114.131 7.914 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . 0.416 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.55 4.904 2 O4'-C1'-N19 116.927 11.409 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . 0.416 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.425 1 O4'-C1'-N19 111.603 4.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 119.128 -0.463 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.33 -122.23 1.86 Allowed Glycine 0 CA--C 1.534 1.263 0 CA-C-N 119.441 1.019 . . . . 0.0 111.883 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 7.7 t -64.56 171.81 3.04 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.915 1.686 . . . . 0.0 110.924 167.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -84.77 -48.94 8.9 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 126.591 1.956 . . . . 0.0 111.798 168.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -115.45 -29.86 6.4 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -174.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.54 -41.61 60.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.976 0.91 . . . . 0.0 111.628 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 102.19 22.46 9.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 127.241 2.353 . . . . 0.0 116.066 171.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -144.79 157.5 44.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.167 1.387 . . . . 0.0 110.242 -163.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.59 43.41 0.48 Allowed 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 113.407 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.66 -38.27 10.86 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.856 -0.969 . . . . 0.0 112.585 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 3.0 p-80 -170.09 -173.39 1.52 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.612 1.165 . . . . 0.0 111.853 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.67 170.45 8.13 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.199 2.999 . . . . 0.0 111.751 170.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.9 mtp -46.14 -42.93 14.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.604 1.562 . . . . 0.0 113.03 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -63.58 -25.13 68.1 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.058 1.743 . . . . 0.0 114.579 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.82 -14.3 15.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.462 1.505 . . . . 0.0 114.262 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 30.3 t -77.97 -83.3 0.08 Allowed 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 127.252 2.221 . . . . 0.0 109.284 172.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.322 1.7 t 43.27 41.7 3.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.976 1.71 . . . . 0.0 109.287 -169.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 69.2 mm-40 -100.43 17.59 21.19 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.397 -2.065 . . . . 0.0 114.797 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' OXT' ' HE2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 128.674 2.789 . . . . 0.0 115.879 172.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 2 O4'-C1'-N19 116.12 10.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C4'-C3' 110.461 4.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.087 1 O4'-C1'-N19 111.296 4.37 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 2 O4'-C1'-N19 114.781 8.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.602 2 O4'-C1'-N19 118.934 13.917 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 113.445 7.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.0 pttt . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 111.452 0.167 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.03 -119.67 5.01 Favored Glycine 0 CA--C 1.536 1.374 0 O-C-N 121.352 -0.843 . . . . 0.0 114.181 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -59.33 162.95 4.23 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.104 0.954 . . . . 0.0 110.298 170.437 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -62.44 1.4 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.342 1.057 . . . . 0.0 110.648 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -40.25 8.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.88 0.872 . . . . 0.0 112.473 -174.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 m -65.43 -64.8 0.78 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.743 1.217 . . . . 0.0 110.365 -174.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 94.96 48.38 2.47 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.823 1.202 . . . . 0.0 113.432 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -137.07 13.96 3.07 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 53.52 28.35 7.63 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.41 -39.79 8.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.138 -0.976 . . . . 0.0 112.444 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -159.6 -162.15 1.0 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.348 1.059 . . . . 0.0 112.162 178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -118.95 171.94 7.89 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 127.094 2.157 . . . . 0.0 111.237 169.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.6 mtm -38.26 -44.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 128.069 2.548 . . . . 0.0 114.187 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -16.25 63.29 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.149 1.38 . . . . 0.0 114.655 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -10.34 11.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.626 1.97 . . . . 0.0 113.913 172.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.2 t -88.42 -71.21 0.6 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.905 2.082 . . . . 0.0 110.184 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 13.6 t 45.94 40.19 6.5 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.338 1.855 . . . . 0.0 113.271 -173.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.48 11.76 37.22 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 . . . . . 0 N--CA 1.487 1.417 0 C-N-CA 126.56 1.944 . . . . 0.0 114.32 -177.646 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 2 O4'-C1'-N19 113.765 7.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.968 1 O4'-C1'-N19 112.456 5.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.417 " H3'" ' H22' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.491 2 P-O3'-C3' 125.255 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.417 ' H22' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.609 1 O4'-C1'-N19 115.267 9.334 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.096 2 O4'-C1'-N19 116.22 10.525 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.546 2 O4'-C1'-N19 114.315 8.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.02 -123.23 0.7 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.888 1.232 . . . . 0.0 112.794 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 146.35 46.51 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.228 1.014 . . . . 0.0 110.15 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.437 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 2.4 t90 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.775 1.63 . . . . 0.0 112.694 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -29.1 5.74 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -175.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.8 m -83.76 -45.08 13.74 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.225 1.41 . . . . 0.0 114.035 -167.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 31.59 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 125.753 1.644 . . . . 0.0 116.111 174.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -136.57 11.46 3.2 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -163.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 52.23 28.64 5.77 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.83 -46.46 13.94 Favored Glycine 0 C--N 1.337 0.605 0 O-C-N 120.772 -1.205 . . . . 0.0 111.297 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.487 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -161.89 -160.61 0.7 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.053 1.741 . . . . 0.0 110.23 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.0 175.58 5.99 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 127.271 2.229 . . . . 0.0 110.143 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -35.41 51.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.854 0.862 . . . . 0.0 112.801 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -28.48 68.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.777 1.631 . . . . 0.0 113.748 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -20.54 13.48 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.426 1.49 . . . . 0.0 112.311 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.1 t -76.34 -75.66 0.18 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.348 1.459 . . . . 0.0 109.932 174.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.8 t 42.42 42.86 2.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.614 1.565 . . . . 0.0 112.215 -171.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -100.22 -0.35 38.86 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ttp85 . . . . . 0 N--CA 1.494 1.769 0 C-N-CA 126.886 2.074 . . . . 0.0 113.407 -173.555 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.768 2 O4'-C1'-N19 113.485 7.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 0 O4'-C1'-N19 110.169 2.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.447 " H3'" ' H22' ' B' ' 23' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.151 2 O4'-C1'-N19 111.757 4.947 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.447 ' H22' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.516 1 O4'-C1'-N19 114.842 8.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . 0.423 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.712 2 O4'-C1'-N19 117.067 11.584 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . 0.423 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 112.923 6.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.9 tttt . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.23 -128.64 8.47 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 125.994 1.759 . . . . 0.0 111.299 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.441 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.5 t -62.0 172.97 1.19 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 123.565 1.65 . . . . 0.0 112.451 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.48 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 3.4 t90 -83.16 -48.24 10.74 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 127.429 2.292 . . . . 0.0 112.525 175.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.485 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -118.06 -29.58 5.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.529 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.2 m -69.77 -50.49 42.66 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.438 1.095 . . . . 0.0 111.405 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 98.08 30.86 6.84 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.991 2.234 . . . . 0.0 115.476 172.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -142.94 153.75 43.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.21 2.204 . . . . 0.0 108.879 -169.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.21 47.25 0.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.604 1.547 . . . . 0.0 113.627 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.52 -34.37 8.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 120.545 -1.347 . . . . 0.0 113.993 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.3 p-80 -172.76 -167.92 0.47 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.038 1.735 . . . . 0.0 110.802 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HG3' ' H ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -123.0 176.95 5.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.607 1.963 . . . . 0.0 111.367 165.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.414 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 40.4 mtm -43.41 -41.51 4.26 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.974 2.11 . . . . 0.0 113.605 -174.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -68.5 -19.15 64.51 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.612 1.565 . . . . 0.0 114.816 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.45 -22.13 12.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.241 1.016 . . . . 0.0 112.453 171.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.3 t -68.49 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.037 2.135 . . . . 0.0 110.212 174.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p 63.7 -3.32 0.43 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.467 2.307 . . . . 0.0 115.433 -164.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -83.08 21.28 1.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -151.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.485 ' C ' ' HE3' ' A' ' 5' ' ' LYS 0.292 2.6 ptm180 . . . . . 0 N--CA 1.49 1.541 1 C-N-CA 131.702 4.001 . . . . 0.0 120.32 177.958 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.375 1 O4'-C1'-N19 112.907 6.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 1 O4'-C1'-N19 113.452 7.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.195 2 P-O3'-C3' 126.653 5.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.48 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.54 3.581 1 O4'-C1'-N19 113.417 7.021 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . 0.46 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.408 2 O4'-C1'-N19 116.238 10.548 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . 0.46 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.447 0 C4'-C3'-C2' 100.34 -2.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.63 -121.64 0.64 Allowed Glycine 0 CA--C 1.537 1.463 0 C-N-CA 126.665 2.079 . . . . 0.0 109.657 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.487 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 9.8 t -60.1 168.99 1.69 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 123.669 1.699 . . . . 0.0 112.168 169.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -89.62 -40.78 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.332 2.253 . . . . 0.0 112.74 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -28.81 7.02 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.5 m -80.9 -57.67 3.44 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.872 0.844 . . . . 0.0 110.44 -170.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.62 19.88 5.98 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 127.14 2.305 . . . . 0.0 114.89 174.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -129.38 150.1 50.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.379 2.272 . . . . 0.0 110.177 -170.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.82 50.16 0.34 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 114.159 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.24 -46.5 4.99 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 120.679 -1.263 . . . . 0.0 113.522 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.5 p-80 -173.56 -167.37 0.38 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.777 1.631 . . . . 0.0 110.759 176.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -111.83 178.21 4.39 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 128.031 2.533 . . . . 0.0 111.395 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -30.81 71.36 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.19 -0.944 . . . . 0.0 112.541 -169.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -13.91 6.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 169.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.86 -23.83 4.95 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.529 1.131 . . . . 0.0 113.216 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.6 t -80.65 -72.3 0.42 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.713 1.205 . . . . 0.0 110.537 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.327 5.5 t 49.1 40.97 18.64 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.508 1.923 . . . . 0.0 111.857 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -104.67 10.68 34.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 -174.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 . . . . . 0 N--CA 1.487 1.41 0 C-N-CA 127.017 2.127 . . . . 0.0 114.432 -176.61 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.122 2 O4'-C1'-N19 114.702 8.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 112.919 6.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 4 P-O3'-C3' 125.605 4.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 2 P-O3'-C3' 128.765 7.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . 0.458 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.151 1 O4'-C1'-N19 116.13 10.413 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . 0.458 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.181 1 O4'-C1'-N19 112.43 5.787 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.6 -112.39 0.95 Allowed Glycine 0 N--CA 1.472 1.057 0 C-N-CA 124.702 1.144 . . . . 0.0 111.258 -177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 4.6 t -70.02 171.7 9.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.122 1.769 . . . . 0.0 111.765 167.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.451 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 1.5 t90 -81.52 -58.84 2.85 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 127.243 2.217 . . . . 0.0 111.07 169.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' HE3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -106.2 -29.76 9.63 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -73.29 -46.43 49.71 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.756 0.707 . . . . 0.0 112.302 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 105.06 17.35 14.28 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 127.062 2.268 . . . . 0.0 115.215 173.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -132.67 154.04 50.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 127.089 2.155 . . . . 0.0 109.738 -166.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -76.52 50.7 0.68 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 120.397 1.453 . . . . 0.0 112.461 169.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.18 -39.99 5.92 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.29 0.947 . . . . 0.0 113.557 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.532 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.7 p-80 -174.7 177.53 2.07 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.577 1.551 . . . . 0.0 110.499 -174.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -110.57 179.83 3.96 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.925 1.69 . . . . 0.0 110.816 168.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.2 mtp -52.65 -36.59 57.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.396 1.078 . . . . 0.0 112.063 -169.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -63.37 -17.06 62.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.464 1.906 . . . . 0.0 115.277 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.5 -2.53 9.97 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.651 1.58 . . . . 0.0 113.01 174.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.532 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 15.2 t -91.09 -75.04 0.48 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.95 1.7 . . . . 0.0 109.155 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.344 0.7 OUTLIER 51.22 18.85 0.65 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.732 2.413 . . . . 0.0 114.495 -168.267 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.51 7.99 38.61 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -162.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 12.3 ttt-85 . . . . . 0 N--CA 1.493 1.713 0 C-N-CA 128.649 2.78 . . . . 0.0 114.972 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.023 2 O4'-C1'-N19 113.507 7.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.228 1 O4'-C1'-N19 112.907 6.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . 0.449 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.761 2 O4'-C1'-N19 112.362 5.703 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . 0.451 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.543 3.987 2 O4'-C1'-N19 115.652 9.815 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.533 2 O4'-C1'-N19 115.435 9.543 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 121.29 0.567 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 119.62 -117.74 3.7 Favored Glycine 0 N--CA 1.467 0.753 0 O-C-N 120.633 -1.292 . . . . 0.0 114.398 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t -62.98 149.55 44.55 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.788 0.804 . . . . 0.0 110.43 173.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.438 ' CG ' ' HG2' ' A' ' 13' ' ' MET . 10.6 t90 -60.29 -52.77 63.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.101 1.76 . . . . 0.0 113.791 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 -31.42 7.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.2 m -82.19 -38.84 24.02 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -166.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.17 44.52 11.44 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.066 1.317 . . . . 0.0 114.965 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -136.13 6.32 3.09 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -167.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 56.36 23.9 7.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.06 -37.02 13.32 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.891 -1.13 . . . . 0.0 113.724 -169.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.1 p-80 -169.25 -162.97 0.38 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.994 1.718 . . . . 0.0 110.629 174.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.12 174.27 5.95 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 125.631 1.572 . . . . 0.0 112.387 171.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.438 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 8.0 mtm -52.6 -35.91 55.23 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.957 0.903 . . . . 0.0 112.864 -175.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -63.37 -24.38 67.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.861 1.264 . . . . 0.0 113.689 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.48 -26.93 12.67 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.66 1.184 . . . . 0.0 112.794 177.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 37.4 t -74.46 -71.08 0.36 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.434 1.894 . . . . 0.0 111.448 175.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 p 56.38 13.9 1.43 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.913 2.485 . . . . 0.0 115.311 -171.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.66 15.11 2.75 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -156.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 . . . . . 0 C--O 1.258 1.54 0 C-N-CA 125.963 1.705 . . . . 0.0 112.197 -174.262 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 1 O4'-C1'-N19 113.531 7.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C1'-N19 110.071 2.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 1 P-O3'-C3' 126.006 5.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 1 O4'-C1'-N19 113.411 7.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.756 4 O4'-C1'-N19 115.088 9.111 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.897 5.121 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.91 -128.36 1.04 Allowed Glycine 0 CA--C 1.536 1.398 0 CA-C-N 120.027 1.285 . . . . 0.0 112.132 172.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -59.71 174.59 0.44 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 123.166 1.46 . . . . 0.0 112.78 170.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.97 -54.4 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.683 1.993 . . . . 0.0 111.148 167.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -26.77 8.78 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.5 m -73.57 -38.8 65.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.828 0.74 . . . . 0.0 112.542 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.01 30.33 17.73 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.365 1.936 . . . . 0.0 115.205 175.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -145.38 147.12 31.92 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.478 1.911 . . . . 0.0 109.434 -166.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.09 40.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.661 1.119 . . . . 0.0 113.713 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.42 -44.58 7.87 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 120.722 -1.236 . . . . 0.0 111.898 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.2 p-80 -162.37 -172.56 3.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.316 1.046 . . . . 0.0 112.63 -178.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.07 173.2 6.42 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.498 2.319 . . . . 0.0 111.801 166.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.2 mtm -46.45 -43.47 16.6 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 125.08 1.352 . . . . 0.0 112.82 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -59.08 -26.25 64.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.02 -25.34 14.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.47 0.708 . . . . 0.0 112.376 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.514 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 17.9 t -70.13 -73.57 0.16 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.916 1.687 . . . . 0.0 110.653 177.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.301 9.3 t 47.34 37.93 6.61 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.362 1.865 . . . . 0.0 114.363 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -100.97 14.2 32.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -174.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 127.561 2.344 . . . . 0.0 116.631 -178.66 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 1 O4'-C1'-N19 111.47 4.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.55 1 O4'-C1'-N19 111.106 4.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.542 2 P-O3'-C3' 126.048 5.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.332 1 O4'-C1'-N19 114.775 8.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.06 2 O4'-C1'-N19 117.054 11.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 1 O4'-C1'-N19 113.071 6.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.31 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 12.0 t -59.24 179.75 0.09 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.046 1.739 . . . . 0.0 111.482 169.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -99.82 -48.77 4.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 126.494 1.917 . . . . 0.0 111.451 173.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -108.92 -22.26 12.26 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.733 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.481 ' CB ' ' HG ' ' A' ' 3' ' ' CYS . 58.7 m -86.72 -61.87 1.63 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.37 0.605 . . . . 0.0 110.92 -171.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.56 33.74 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.528 1.537 . . . . 0.0 114.503 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -144.45 149.93 36.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 110.459 -171.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.05 38.46 0.07 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.17 1.388 . . . . 0.0 114.315 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.26 -51.27 10.21 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 120.458 -1.402 . . . . 0.0 112.073 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -168.7 -161.98 0.36 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.027 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.85 175.41 5.45 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 129.377 3.071 . . . . 0.0 112.383 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.51 74.22 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.185 -168.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -14.86 62.94 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.694 1.134 . . . . 0.0 114.015 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.09 -19.81 13.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 112.951 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.502 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 8.9 t -86.51 -77.06 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.933 1.693 . . . . 0.0 109.865 172.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 p 64.59 8.04 4.14 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 127.374 2.27 . . . . 0.0 114.64 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -80.23 19.86 0.72 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -154.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.483 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 9.5 tmm_? . . . . . 0 C--O 1.26 1.638 0 C-N-CA 126.354 1.862 . . . . 0.0 112.442 -173.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 114.829 0.692 . . . . 0.0 114.829 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.526 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -58.66 159.75 6.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 122.237 1.018 . . . . 0.0 109.359 170.042 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -77.5 -38.99 47.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 124.218 1.007 . . . . 0.0 113.006 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -115.67 -34.99 4.67 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.541 1.136 . . . . 0.0 113.066 -179.416 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.503 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 6.3 m -76.43 -50.98 12.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.872 0.869 . . . . 0.0 111.808 -170.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.526 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 92.51 40.45 5.05 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.425 1.488 . . . . 0.0 113.867 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 7.0 mtmp? -133.92 9.72 3.88 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -166.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 54.34 27.39 7.99 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.72 -41.55 7.2 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.639 1.114 . . . . 0.0 112.645 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.8 p-80 -165.7 -166.92 1.01 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.958 1.303 . . . . 0.0 111.54 178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -112.38 176.68 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 127.995 2.518 . . . . 0.0 111.67 174.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.99 -36.46 77.23 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.397 1.079 . . . . 0.0 113.532 -164.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -23.32 67.38 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.083 1.353 . . . . 0.0 113.114 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -25.44 13.84 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.453 1.501 . . . . 0.0 113.021 176.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 53.2 t -79.16 -78.26 0.16 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.965 2.106 . . . . 0.0 109.822 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.303 7.7 t 41.82 45.06 3.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.126 2.171 . . . . 0.0 111.996 -169.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -97.9 21.55 10.46 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.456 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 53.7 mtt180 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 128.586 2.754 . . . . 0.0 114.157 -169.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.107 0 CA-C-O 120.074 -0.292 . . . . 0.0 113.235 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 35.4 t -71.89 -179.22 2.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.212 1.805 . . . . 0.0 109.987 170.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.27 -40.77 7.77 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 127.376 2.27 . . . . 0.0 111.673 170.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HE2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -119.34 -28.12 5.46 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -174.242 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.455 ' H ' ' HG ' ' A' ' 3' ' ' CYS . 56.5 m -82.51 -51.62 7.63 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.471 1.108 . . . . 0.0 111.797 -170.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.502 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 109.72 28.03 4.4 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 126.525 2.012 . . . . 0.0 115.855 174.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.84 150.67 38.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.981 1.712 . . . . 0.0 111.223 -167.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.33 49.89 0.61 Allowed 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.157 1.344 . . . . 0.0 114.109 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.72 4.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 120.791 -1.193 . . . . 0.0 111.83 173.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -170.75 -172.59 1.21 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.938 1.295 . . . . 0.0 110.595 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.44 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 128.063 2.545 . . . . 0.0 111.552 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -58.35 -34.12 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.297 1.439 . . . . 0.0 113.408 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -24.22 67.65 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.878 0.871 . . . . 0.0 113.002 175.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.56 -26.73 13.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.598 1.159 . . . . 0.0 112.487 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.0 t -77.99 -72.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.056 1.342 . . . . 0.0 110.853 175.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p 61.0 0.15 0.36 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.266 2.227 . . . . 0.0 115.559 -168.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.73 27.52 0.73 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -156.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.476 ' O ' ' HE2' ' A' ' 5' ' ' LYS 0.253 0.1 OUTLIER . . . . . 0 C--O 1.25 1.115 0 C-N-CA 130.631 3.573 . . . . 0.0 119.11 178.279 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 114.3 0.48 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -53.52 154.02 3.83 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.37 1.081 . . . . 0.0 110.434 173.375 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -61.77 -52.93 62.19 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 112.487 175.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.96 -33.41 6.72 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.721 1.209 . . . . 0.0 113.265 -176.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.7 m -73.33 -68.75 0.47 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.999 0.919 . . . . 0.0 109.736 -171.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 112.71 33.88 1.98 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.816 1.198 . . . . 0.0 116.021 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -129.42 9.3 5.56 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 57.37 20.21 5.73 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.89 -34.7 52.34 Favored Glycine 0 CA--C 1.525 0.704 0 O-C-N 121.132 -0.98 . . . . 0.0 112.4 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -164.71 -160.18 0.5 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.376 1.47 . . . . 0.0 111.367 172.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.12 175.73 5.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.696 2.798 . . . . 0.0 112.924 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 mtm -52.97 -39.77 63.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -24.08 67.69 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.04 -11.93 15.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.744 1.218 . . . . 0.0 113.288 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.491 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 34.1 t -84.5 -72.95 0.45 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.161 1.785 . . . . 0.0 110.064 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 p 56.46 19.6 4.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.596 1.558 . . . . 0.0 113.717 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -85.77 -0.41 55.17 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -163.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 . . . . . 0 C--O 1.266 1.936 0 C-N-CA 126.934 2.093 . . . . 0.0 111.96 -167.371 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.881 0 CA-C-O 119.447 -0.641 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -54.55 142.59 27.22 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.923 0.889 . . . . 0.0 110.564 174.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -54.63 -50.6 67.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.76 1.624 . . . . 0.0 113.355 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.91 -22.36 11.9 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.44 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 3.5 m -93.87 -39.41 10.71 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.999 0.92 . . . . 0.0 112.707 -168.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.448 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 82.89 39.14 10.57 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.417 1.008 . . . . 0.0 115.231 173.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 5.6 mtmp? -136.35 9.5 3.19 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -165.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 54.23 25.39 5.75 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.12 -39.64 15.69 Favored Glycine 0 CA--C 1.525 0.713 0 O-C-N 120.368 -1.458 . . . . 0.0 112.647 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -169.17 -165.98 0.58 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.106 1.362 . . . . 0.0 111.861 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' H ' ' A' ' 13' ' ' MET . 2.9 tp-100 -112.67 177.7 4.54 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.168 1.787 . . . . 0.0 112.18 172.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.435 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -57.85 -32.95 68.15 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.621 1.169 . . . . 0.0 113.744 -164.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -67.13 -23.04 65.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.873 1.669 . . . . 0.0 113.987 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.45 -20.75 15.0 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.004 1.322 . . . . 0.0 112.313 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 47.3 t -85.04 -68.1 0.75 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.599 1.96 . . . . 0.0 112.848 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p 53.38 18.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.749 2.42 . . . . 0.0 115.125 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -82.69 2.93 31.23 Favored 'General case' 0 CA--C 1.558 1.286 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -161.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 . . . . . 0 N--CA 1.493 1.72 0 C-N-CA 127.081 2.153 . . . . 0.0 113.225 -168.36 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.517 0 CA-C-O 118.432 -1.205 . . . . 0.0 113.226 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.54 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.1 t -62.91 153.41 33.53 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.945 1.373 . . . . 0.0 110.415 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -58.07 6.85 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.841 0.856 . . . . 0.0 111.114 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -23.52 11.15 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.653 1.181 . . . . 0.0 114.013 -171.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.419 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 35.4 m -79.61 -54.09 6.22 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.035 0.934 . . . . 0.0 112.193 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.54 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 99.37 30.27 6.67 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.821 2.153 . . . . 0.0 115.779 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -129.39 11.29 5.83 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 -162.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 53.64 29.33 9.16 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.68 -36.43 7.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 120.952 -1.093 . . . . 0.0 113.941 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -166.28 -165.48 0.78 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.843 1.657 . . . . 0.0 109.918 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -117.56 176.45 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.625 1.97 . . . . 0.0 110.921 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.1 mtm -49.55 -38.88 32.75 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.078 1.351 . . . . 0.0 113.693 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -17.76 60.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.969 1.708 . . . . 0.0 114.35 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.31 -22.33 10.96 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.395 1.478 . . . . 0.0 113.767 172.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 16.2 t -77.82 -68.55 0.62 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.763 1.625 . . . . 0.0 110.409 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.5 t 39.94 42.29 1.04 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.66 1.984 . . . . 0.0 113.418 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.61 15.82 26.85 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -174.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 127.953 2.501 . . . . 0.0 116.058 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.408 ' HA3' ' H ' ' A' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 113.616 0.206 . . . . 0.0 113.616 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.532 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -59.05 151.93 21.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.11 0.564 . . . . 0.0 110.995 174.141 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -61.24 -50.49 72.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.482 1.113 . . . . 0.0 113.208 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -39.53 6.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.13 0.972 . . . . 0.0 112.594 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.532 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.2 m -70.67 -52.59 20.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 113.054 -168.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 91.17 43.26 4.73 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.662 1.125 . . . . 0.0 114.501 176.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -138.42 9.14 2.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 -167.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' H ' ' HA3' ' A' ' 2' ' ' GLY . 17.2 mt-10 53.44 37.2 25.04 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.57 -46.16 5.28 Favored Glycine 0 C--N 1.338 0.685 0 O-C-N 121.48 -0.763 . . . . 0.0 113.255 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -165.26 -168.04 1.3 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.968 1.707 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -109.62 176.69 4.98 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.525 2.33 . . . . 0.0 111.156 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.49 -36.04 75.26 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.049 -167.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -59.53 -13.96 11.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.787 1.635 . . . . 0.0 114.906 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.62 -8.64 9.01 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 42.0 t -85.74 -71.25 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.935 1.694 . . . . 0.0 109.853 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.369 0.6 OUTLIER 55.39 12.46 0.74 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.935 2.494 . . . . 0.0 115.003 -173.775 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -83.41 -1.86 54.46 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -161.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 C-N-CA 126.421 1.888 . . . . 0.0 114.149 -175.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.792 0 CA-C-O 120.206 -0.219 . . . . 0.0 112.771 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -58.79 146.14 38.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.875 0.47 . . . . 0.0 110.995 176.584 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -50.93 -56.09 14.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 113.018 165.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.39 -36.02 6.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.0 m -71.29 -57.9 4.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.498 0.666 . . . . 0.0 110.906 -172.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.518 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 104.94 23.4 7.79 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.634 2.064 . . . . 0.0 115.685 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -125.42 4.37 7.67 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -162.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 60.24 29.13 18.75 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.3 -45.7 7.33 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.527 -0.733 . . . . 0.0 111.704 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -159.03 -171.32 3.34 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -102.27 168.48 9.32 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 129.473 3.109 . . . . 0.0 112.482 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.6 mtp -49.06 -38.64 24.81 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.218 1.807 . . . . 0.0 113.513 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.01 -19.26 63.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.888 1.675 . . . . 0.0 114.604 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.96 -22.23 13.5 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.347 1.459 . . . . 0.0 112.975 172.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 7.7 t -78.44 -75.22 0.24 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.154 2.181 . . . . 0.0 110.537 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p 54.38 17.65 1.63 Allowed 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 126.53 1.932 . . . . 0.0 112.771 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.03 4.97 53.09 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -161.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.374 2.4 ptt180 . . . . . 0 N--CA 1.486 1.37 0 C-N-CA 129.572 3.149 . . . . 0.0 116.566 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.483 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.6 t -54.8 165.62 0.6 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.412 1.485 . . . . 0.0 112.94 171.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.76 -37.3 30.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 126.735 2.014 . . . . 0.0 112.895 171.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -35.57 2.91 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -173.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.0 m -70.7 -55.2 9.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.977 0.911 . . . . 0.0 109.812 -171.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.483 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 110.2 24.24 5.77 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.604 2.05 . . . . 0.0 114.914 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -136.5 151.1 49.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.878 2.071 . . . . 0.0 108.956 -169.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -74.92 49.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.179 1.354 . . . . 0.0 113.103 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.4 -41.1 6.23 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 120.814 -1.179 . . . . 0.0 112.84 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -168.62 -175.62 2.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.249 1.42 . . . . 0.0 111.552 -174.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -125.83 175.55 7.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.529 2.732 . . . . 0.0 110.669 171.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -55.5 -33.55 63.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.652 1.181 . . . . 0.0 114.142 -158.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -63.84 -35.87 82.04 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.149 1.379 . . . . 0.0 113.18 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 -22.69 20.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.233 0.613 . . . . 0.0 112.581 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.593 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.0 t -77.76 -78.22 0.14 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.681 1.992 . . . . 0.0 110.906 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 1.5 p 58.64 16.28 4.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 129.261 3.025 . . . . 0.0 115.564 -167.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -89.74 14.25 12.27 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 -158.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.213 2.605 . . . . 0.0 115.683 -173.807 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.379 0 N-CA-C 111.814 -0.515 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.3 t -65.34 175.4 1.72 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 124.295 1.998 . . . . 0.0 111.45 167.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -93.47 -57.67 2.52 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 128.451 2.7 . . . . 0.0 111.26 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 -30.59 12.84 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -76.26 -53.98 7.44 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.844 0.831 . . . . 0.0 110.709 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.523 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 97.53 34.73 5.43 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 127.212 2.339 . . . . 0.0 115.41 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -147.62 155.67 42.03 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.019 1.728 . . . . 0.0 108.94 -169.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -76.77 50.86 0.73 Allowed 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.77 1.168 . . . . 0.0 114.017 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.68 5.79 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 120.532 -1.355 . . . . 0.0 112.801 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -169.82 -168.15 0.74 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.654 1.182 . . . . 0.0 111.166 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -119.92 174.35 6.51 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 128.282 2.633 . . . . 0.0 111.084 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtp -52.55 -38.7 60.33 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.186 1.394 . . . . 0.0 113.379 -170.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -20.79 66.09 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.561 1.544 . . . . 0.0 114.265 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.01 -27.52 12.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 9.9 t -73.64 -74.77 0.17 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.353 1.461 . . . . 0.0 110.869 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.314 0.6 OUTLIER 57.82 1.88 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 129.728 3.211 . . . . 0.0 116.601 -170.097 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.46 12.0 3.31 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 -158.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 128.179 2.592 . . . . 0.0 115.037 -174.13 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.735 0 CA-C-O 119.486 -0.619 . . . . 0.0 113.52 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -61.59 153.92 26.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.775 0.798 . . . . 0.0 110.622 172.036 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -66.28 -45.79 79.24 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.747 1.619 . . . . 0.0 113.9 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -112.55 -28.67 7.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.671 1.188 . . . . 0.0 113.803 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -81.57 -59.0 2.77 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.268 1.427 . . . . 0.0 112.29 -172.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.466 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 95.47 40.53 4.17 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.513 1.054 . . . . 0.0 114.97 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.07 12.67 4.71 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -170.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 53.96 20.19 2.31 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.69 -38.93 30.64 Favored Glycine 0 C--N 1.338 0.646 0 O-C-N 120.838 -1.164 . . . . 0.0 112.31 -171.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -166.54 -173.25 2.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 112.871 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.94 167.83 10.01 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.352 1.861 . . . . 0.0 111.938 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -40.52 68.34 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -20.21 5.94 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 129.053 2.941 . . . . 0.0 115.487 173.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.48 -21.89 10.1 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.057 2.143 . . . . 0.0 111.503 -177.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 43.2 t -79.84 -74.11 0.32 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.02 1.728 . . . . 0.0 110.459 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.4 t 44.55 34.87 1.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.854 2.061 . . . . 0.0 112.222 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 3.6 mt-10 -99.53 19.58 15.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 119.484 -2.01 . . . . 0.0 115.84 -175.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.522 ' C ' ' HE3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 129.535 3.134 . . . . 0.0 116.294 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.263 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 7.7 t -64.56 171.81 3.04 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.915 1.686 . . . . 0.0 110.924 167.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -84.77 -48.94 8.9 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 126.591 1.956 . . . . 0.0 111.798 168.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HE2' ' OXT' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -115.45 -29.86 6.4 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -174.103 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.54 -41.61 60.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.976 0.91 . . . . 0.0 111.628 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 102.19 22.46 9.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 127.241 2.353 . . . . 0.0 116.066 171.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -144.79 157.5 44.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.167 1.387 . . . . 0.0 110.242 -163.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.59 43.41 0.48 Allowed 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 113.407 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.66 -38.27 10.86 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.856 -0.969 . . . . 0.0 112.585 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.614 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 3.0 p-80 -170.09 -173.39 1.52 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.612 1.165 . . . . 0.0 111.853 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.67 170.45 8.13 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.199 2.999 . . . . 0.0 111.751 170.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.9 mtp -46.14 -42.93 14.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.604 1.562 . . . . 0.0 113.03 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -63.58 -25.13 68.1 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.058 1.743 . . . . 0.0 114.579 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.82 -14.3 15.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.462 1.505 . . . . 0.0 114.262 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.614 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 30.3 t -77.97 -83.3 0.08 Allowed 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 127.252 2.221 . . . . 0.0 109.284 172.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.322 1.7 t 43.27 41.7 3.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.976 1.71 . . . . 0.0 109.287 -169.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 69.2 mm-40 -100.43 17.59 21.19 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.397 -2.065 . . . . 0.0 114.797 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' OXT' ' HE2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 128.674 2.789 . . . . 0.0 115.879 172.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.374 0 CA-C-O 119.301 -0.722 . . . . 0.0 114.181 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -59.33 162.95 4.23 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.104 0.954 . . . . 0.0 110.298 170.437 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -62.44 1.4 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.342 1.057 . . . . 0.0 110.648 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -40.25 8.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.88 0.872 . . . . 0.0 112.473 -174.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -65.43 -64.8 0.78 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.743 1.217 . . . . 0.0 110.365 -174.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.509 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 94.96 48.38 2.47 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.823 1.202 . . . . 0.0 113.432 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -137.07 13.96 3.07 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 53.52 28.35 7.63 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.41 -39.79 8.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.138 -0.976 . . . . 0.0 112.444 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -159.6 -162.15 1.0 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.348 1.059 . . . . 0.0 112.162 178.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -118.95 171.94 7.89 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 127.094 2.157 . . . . 0.0 111.237 169.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.6 mtm -38.26 -44.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 128.069 2.548 . . . . 0.0 114.187 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -16.25 63.29 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.149 1.38 . . . . 0.0 114.655 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -10.34 11.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.626 1.97 . . . . 0.0 113.913 172.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.2 t -88.42 -71.21 0.6 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.905 2.082 . . . . 0.0 110.184 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 13.6 t 45.94 40.19 6.5 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.338 1.855 . . . . 0.0 113.271 -173.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.48 11.76 37.22 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 . . . . . 0 N--CA 1.487 1.417 0 C-N-CA 126.56 1.944 . . . . 0.0 114.32 -177.646 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 CA-C-O 119.206 -0.775 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 146.35 46.51 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.228 1.014 . . . . 0.0 110.15 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.775 1.63 . . . . 0.0 112.694 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -29.1 5.74 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -175.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.8 m -83.76 -45.08 13.74 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.225 1.41 . . . . 0.0 114.035 -167.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 31.59 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 125.753 1.644 . . . . 0.0 116.111 174.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -136.57 11.46 3.2 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -163.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 52.23 28.64 5.77 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.83 -46.46 13.94 Favored Glycine 0 C--N 1.337 0.605 0 O-C-N 120.772 -1.205 . . . . 0.0 111.297 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -161.89 -160.61 0.7 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.053 1.741 . . . . 0.0 110.23 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.0 175.58 5.99 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 127.271 2.229 . . . . 0.0 110.143 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -35.41 51.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.854 0.862 . . . . 0.0 112.801 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -28.48 68.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.777 1.631 . . . . 0.0 113.748 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -20.54 13.48 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.426 1.49 . . . . 0.0 112.311 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.1 t -76.34 -75.66 0.18 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.348 1.459 . . . . 0.0 109.932 174.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.8 t 42.42 42.86 2.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.614 1.565 . . . . 0.0 112.215 -171.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -100.22 -0.35 38.86 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ttp85 . . . . . 0 N--CA 1.494 1.769 0 C-N-CA 126.886 2.074 . . . . 0.0 113.407 -173.555 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.111 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.5 t -62.0 172.97 1.19 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 123.565 1.65 . . . . 0.0 112.451 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -83.16 -48.24 10.74 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 127.429 2.292 . . . . 0.0 112.525 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -118.06 -29.58 5.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.529 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.2 m -69.77 -50.49 42.66 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.438 1.095 . . . . 0.0 111.405 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 98.08 30.86 6.84 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.991 2.234 . . . . 0.0 115.476 172.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -142.94 153.75 43.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.21 2.204 . . . . 0.0 108.879 -169.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.21 47.25 0.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.604 1.547 . . . . 0.0 113.627 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.52 -34.37 8.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 120.545 -1.347 . . . . 0.0 113.993 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.3 p-80 -172.76 -167.92 0.47 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.038 1.735 . . . . 0.0 110.802 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -123.0 176.95 5.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.607 1.963 . . . . 0.0 111.367 165.745 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.412 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 40.4 mtm -43.41 -41.51 4.26 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.974 2.11 . . . . 0.0 113.605 -174.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -68.5 -19.15 64.51 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.612 1.565 . . . . 0.0 114.816 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.45 -22.13 12.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.241 1.016 . . . . 0.0 112.453 171.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.3 t -68.49 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.037 2.135 . . . . 0.0 110.212 174.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p 63.7 -3.32 0.43 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.467 2.307 . . . . 0.0 115.433 -164.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -83.08 21.28 1.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -151.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.512 ' C ' ' HE3' ' A' ' 5' ' ' LYS 0.292 2.6 ptm180 . . . . . 0 N--CA 1.49 1.541 1 C-N-CA 131.702 4.001 . . . . 0.0 120.32 177.958 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.463 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.536 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 9.8 t -60.1 168.99 1.69 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 123.669 1.699 . . . . 0.0 112.168 169.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -89.62 -40.78 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.332 2.253 . . . . 0.0 112.74 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -28.81 7.02 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.5 m -80.9 -57.67 3.44 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.872 0.844 . . . . 0.0 110.44 -170.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.536 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.62 19.88 5.98 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 127.14 2.305 . . . . 0.0 114.89 174.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -129.38 150.1 50.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.379 2.272 . . . . 0.0 110.177 -170.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.82 50.16 0.34 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 114.159 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.24 -46.5 4.99 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 120.679 -1.263 . . . . 0.0 113.522 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.5 p-80 -173.56 -167.37 0.38 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.777 1.631 . . . . 0.0 110.759 176.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -111.83 178.21 4.39 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 128.031 2.533 . . . . 0.0 111.395 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -30.81 71.36 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.19 -0.944 . . . . 0.0 112.541 -169.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -13.91 6.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 169.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.86 -23.83 4.95 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.529 1.131 . . . . 0.0 113.216 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.6 t -80.65 -72.3 0.42 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.713 1.205 . . . . 0.0 110.537 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.327 5.5 t 49.1 40.97 18.64 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.508 1.923 . . . . 0.0 111.857 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -104.67 10.68 34.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 -174.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 . . . . . 0 N--CA 1.487 1.41 0 C-N-CA 127.017 2.127 . . . . 0.0 114.432 -176.61 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.057 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.458 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 4.6 t -70.02 171.7 9.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.122 1.769 . . . . 0.0 111.765 167.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -81.52 -58.84 2.85 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 127.243 2.217 . . . . 0.0 111.07 169.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -106.2 -29.76 9.63 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' HG ' ' HG ' ' A' ' 3' ' ' CYS . 56.0 m -73.29 -46.43 49.71 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.756 0.707 . . . . 0.0 112.302 -169.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.456 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 105.06 17.35 14.28 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 127.062 2.268 . . . . 0.0 115.215 173.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -132.67 154.04 50.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 127.089 2.155 . . . . 0.0 109.738 -166.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -76.52 50.7 0.68 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 120.397 1.453 . . . . 0.0 112.461 169.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.18 -39.99 5.92 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.29 0.947 . . . . 0.0 113.557 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.7 p-80 -174.7 177.53 2.07 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.577 1.551 . . . . 0.0 110.499 -174.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -110.57 179.83 3.96 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.925 1.69 . . . . 0.0 110.816 168.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.2 mtp -52.65 -36.59 57.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.396 1.078 . . . . 0.0 112.063 -169.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -63.37 -17.06 62.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.464 1.906 . . . . 0.0 115.277 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.5 -2.53 9.97 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.651 1.58 . . . . 0.0 113.01 174.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 15.2 t -91.09 -75.04 0.48 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.95 1.7 . . . . 0.0 109.155 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.344 0.7 OUTLIER 51.22 18.85 0.65 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.732 2.413 . . . . 0.0 114.495 -168.267 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.51 7.99 38.61 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -162.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.486 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 12.3 ttt-85 . . . . . 0 N--CA 1.493 1.713 0 C-N-CA 128.649 2.78 . . . . 0.0 114.972 -175.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.753 0 N-CA-C 114.398 0.519 . . . . 0.0 114.398 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.449 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 9.7 t -62.98 149.55 44.55 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.788 0.804 . . . . 0.0 110.43 173.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.459 ' CG ' ' HG2' ' A' ' 13' ' ' MET . 10.6 t90 -60.29 -52.77 63.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.101 1.76 . . . . 0.0 113.791 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 -31.42 7.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.417 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 10.2 m -82.19 -38.84 24.02 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -166.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.449 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 78.17 44.52 11.44 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.066 1.317 . . . . 0.0 114.965 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 5.6 mtmp? -136.13 6.32 3.09 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -167.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 56.36 23.9 7.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.06 -37.02 13.32 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.891 -1.13 . . . . 0.0 113.724 -169.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.1 p-80 -169.25 -162.97 0.38 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.994 1.718 . . . . 0.0 110.629 174.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.12 174.27 5.95 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 125.631 1.572 . . . . 0.0 112.387 171.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.459 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 8.0 mtm -52.6 -35.91 55.23 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.957 0.903 . . . . 0.0 112.864 -175.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -63.37 -24.38 67.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.861 1.264 . . . . 0.0 113.689 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.48 -26.93 12.67 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.66 1.184 . . . . 0.0 112.794 177.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 37.4 t -74.46 -71.08 0.36 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.434 1.894 . . . . 0.0 111.448 175.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 p 56.38 13.9 1.43 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.913 2.485 . . . . 0.0 115.311 -171.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.66 15.11 2.75 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -156.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 . . . . . 0 C--O 1.258 1.54 0 C-N-CA 125.963 1.705 . . . . 0.0 112.197 -174.262 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.398 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 4.2 t -59.71 174.59 0.44 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 123.166 1.46 . . . . 0.0 112.78 170.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.97 -54.4 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.683 1.993 . . . . 0.0 111.148 167.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -26.77 8.78 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.5 m -73.57 -38.8 65.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.828 0.74 . . . . 0.0 112.542 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 88.01 30.33 17.73 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.365 1.936 . . . . 0.0 115.205 175.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -145.38 147.12 31.92 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.478 1.911 . . . . 0.0 109.434 -166.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.09 40.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.661 1.119 . . . . 0.0 113.713 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.42 -44.58 7.87 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 120.722 -1.236 . . . . 0.0 111.898 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.2 p-80 -162.37 -172.56 3.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.316 1.046 . . . . 0.0 112.63 -178.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.07 173.2 6.42 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.498 2.319 . . . . 0.0 111.801 166.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.2 mtm -46.45 -43.47 16.6 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 125.08 1.352 . . . . 0.0 112.82 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -59.08 -26.25 64.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.02 -25.34 14.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.47 0.708 . . . . 0.0 112.376 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 17.9 t -70.13 -73.57 0.16 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.916 1.687 . . . . 0.0 110.653 177.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.301 9.3 t 47.34 37.93 6.61 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.362 1.865 . . . . 0.0 114.363 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -100.97 14.2 32.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -174.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 127.561 2.344 . . . . 0.0 116.631 -178.66 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.752 0.31 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.58 -120.4 1.06 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 125.178 1.371 . . . . 0.0 111.541 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 12.0 t -59.24 179.75 0.09 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.046 1.739 . . . . 0.0 111.482 169.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.404 ' CZ2' " H3'" ' B' ' 24' ' ' ' DC' . 4.6 t90 -99.82 -48.77 4.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 126.494 1.917 . . . . 0.0 111.451 173.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -108.92 -22.26 12.26 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.7 m -86.72 -61.87 1.63 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.37 0.605 . . . . 0.0 110.92 -171.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.56 33.74 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.528 1.537 . . . . 0.0 114.503 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -144.45 149.93 36.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 110.459 -171.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.05 38.46 0.07 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.17 1.388 . . . . 0.0 114.315 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.26 -51.27 10.21 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 120.458 -1.402 . . . . 0.0 112.073 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -168.7 -161.98 0.36 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.027 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.85 175.41 5.45 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 129.377 3.071 . . . . 0.0 112.383 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.51 74.22 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.185 -168.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -14.86 62.94 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.694 1.134 . . . . 0.0 114.015 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.09 -19.81 13.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 112.951 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.502 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 8.9 t -86.51 -77.06 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.933 1.693 . . . . 0.0 109.865 172.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 p 64.59 8.04 4.14 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 127.374 2.27 . . . . 0.0 114.64 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -80.23 19.86 0.72 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -154.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.483 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 9.5 tmm_? . . . . . 0 C--O 1.26 1.638 0 C-N-CA 126.354 1.862 . . . . 0.0 112.442 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.634 1 O4'-C1'-N19 113.782 7.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C4'-C3' 108.728 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 1 O5'-C5'-C4' 116.138 4.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.055 1 O4'-C1'-N19 112.522 5.903 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.404 " H3'" ' CZ2' ' A' ' 4' ' ' TRP . . . . . . . . 1 C5'--C4' 1.549 4.773 2 O4'-C1'-N19 113.832 7.539 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.268 0 O4'-C1'-N19 110.93 3.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.678 0.275 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.47 -120.19 5.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 120.152 -1.592 . . . . 0.0 114.829 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.526 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -58.66 159.75 6.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 122.237 1.018 . . . . 0.0 109.359 170.042 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.412 ' CZ2' " H3'" ' B' ' 24' ' ' ' DC' . 6.2 t90 -77.5 -38.99 47.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 124.218 1.007 . . . . 0.0 113.006 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -115.67 -34.99 4.67 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.541 1.136 . . . . 0.0 113.066 -179.416 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.503 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 6.3 m -76.43 -50.98 12.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.872 0.869 . . . . 0.0 111.808 -170.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.526 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 92.51 40.45 5.05 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.425 1.488 . . . . 0.0 113.867 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 7.0 mtmp? -133.92 9.72 3.88 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -166.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 54.34 27.39 7.99 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.72 -41.55 7.2 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.639 1.114 . . . . 0.0 112.645 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.8 p-80 -165.7 -166.92 1.01 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.958 1.303 . . . . 0.0 111.54 178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -112.38 176.68 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 127.995 2.518 . . . . 0.0 111.67 174.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.99 -36.46 77.23 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.397 1.079 . . . . 0.0 113.532 -164.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -23.32 67.38 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.083 1.353 . . . . 0.0 113.114 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -25.44 13.84 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.453 1.501 . . . . 0.0 113.021 176.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 53.2 t -79.16 -78.26 0.16 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.965 2.106 . . . . 0.0 109.822 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.303 7.7 t 41.82 45.06 3.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.126 2.171 . . . . 0.0 111.996 -169.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -97.9 21.55 10.46 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.456 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 53.7 mtt180 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 128.586 2.754 . . . . 0.0 114.157 -169.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.289 2 O4'-C1'-N19 114.854 8.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.118 4.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.587 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.213 1 P-O3'-C3' 127.435 6.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.587 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.731 1 O4'-C1'-N19 113.888 7.61 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.412 " H3'" ' CZ2' ' A' ' 4' ' ' TRP . . . . . . . . 1 C5'--C4' 1.55 4.903 3 O4'-C1'-N19 115.378 9.473 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.375 1 O4'-C1'-N19 113.142 6.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.8 -107.46 0.67 Allowed Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.516 1.532 . . . . 0.0 113.235 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 35.4 t -71.89 -179.22 2.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.212 1.805 . . . . 0.0 109.987 170.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.27 -40.77 7.77 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 127.376 2.27 . . . . 0.0 111.673 170.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HE2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -119.34 -28.12 5.46 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -174.242 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.5 m -82.51 -51.62 7.63 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.471 1.108 . . . . 0.0 111.797 -170.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.502 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 109.72 28.03 4.4 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 126.525 2.012 . . . . 0.0 115.855 174.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.84 150.67 38.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.981 1.712 . . . . 0.0 111.223 -167.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.33 49.89 0.61 Allowed 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.157 1.344 . . . . 0.0 114.109 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.72 4.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 120.791 -1.193 . . . . 0.0 111.83 173.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -170.75 -172.59 1.21 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.938 1.295 . . . . 0.0 110.595 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.44 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 128.063 2.545 . . . . 0.0 111.552 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -58.35 -34.12 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.297 1.439 . . . . 0.0 113.408 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -24.22 67.65 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.878 0.871 . . . . 0.0 113.002 175.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.56 -26.73 13.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.598 1.159 . . . . 0.0 112.487 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.0 t -77.99 -72.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.056 1.342 . . . . 0.0 110.853 175.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p 61.0 0.15 0.36 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.266 2.227 . . . . 0.0 115.559 -168.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.73 27.52 0.73 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -156.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.476 ' O ' ' HE2' ' A' ' 5' ' ' LYS 0.253 0.1 OUTLIER . . . . . 0 C--O 1.25 1.115 0 C-N-CA 130.631 3.573 . . . . 0.0 119.11 178.279 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 1 O4'-C1'-N19 113.285 6.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O5'-C5'-C4' 115.963 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.414 ' C2 ' ' HB3' ' A' ' 19' ' ' ARG . . . . . . . . 1 C5'--C4' 1.55 4.912 0 O5'-C5'-C4' 113.725 2.518 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 2 O4'-C1'-N19 114.37 8.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.512 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.534 2 O4'-C1'-N19 116.218 10.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . 0.512 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.14 1 O4'-C1'-N19 112.81 6.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 119.012 -0.518 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.71 -129.33 4.09 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.94 1.257 . . . . 0.0 114.3 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -53.52 154.02 3.83 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.37 1.081 . . . . 0.0 110.434 173.375 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -61.77 -52.93 62.19 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 112.487 175.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.96 -33.41 6.72 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.721 1.209 . . . . 0.0 113.265 -176.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -73.33 -68.75 0.47 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.999 0.919 . . . . 0.0 109.736 -171.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 112.71 33.88 1.98 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.816 1.198 . . . . 0.0 116.021 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -129.42 9.3 5.56 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 57.37 20.21 5.73 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.89 -34.7 52.34 Favored Glycine 0 CA--C 1.525 0.704 0 O-C-N 121.132 -0.98 . . . . 0.0 112.4 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -164.71 -160.18 0.5 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.376 1.47 . . . . 0.0 111.367 172.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.12 175.73 5.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.696 2.798 . . . . 0.0 112.924 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 mtm -52.97 -39.77 63.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -24.08 67.69 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.04 -11.93 15.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.744 1.218 . . . . 0.0 113.288 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.491 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 34.1 t -84.5 -72.95 0.45 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.161 1.785 . . . . 0.0 110.064 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 p 56.46 19.6 4.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.596 1.558 . . . . 0.0 113.717 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -85.77 -0.41 55.17 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -163.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 . . . . . 0 C--O 1.266 1.936 0 C-N-CA 126.934 2.093 . . . . 0.0 111.96 -167.371 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.476 1 O4'-C1'-N19 112.217 5.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 1 O4'-C1'-N19 112.286 5.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.528 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.847 2 P-O3'-C3' 126.247 5.456 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.528 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.422 -2.215 1 O4'-C1'-N19 115.501 9.627 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.341 2 O4'-C1'-N19 119.246 14.307 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 112.669 6.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.12 -137.9 14.56 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.174 1.368 . . . . 0.0 113.044 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -54.55 142.59 27.22 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.923 0.889 . . . . 0.0 110.564 174.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -54.63 -50.6 67.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.76 1.624 . . . . 0.0 113.355 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.91 -22.36 11.9 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 3.5 m -93.87 -39.41 10.71 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.999 0.92 . . . . 0.0 112.707 -168.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 82.89 39.14 10.57 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.417 1.008 . . . . 0.0 115.231 173.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 5.6 mtmp? -136.35 9.5 3.19 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -165.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 54.23 25.39 5.75 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.12 -39.64 15.69 Favored Glycine 0 CA--C 1.525 0.713 0 O-C-N 120.368 -1.458 . . . . 0.0 112.647 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -169.17 -165.98 0.58 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.106 1.362 . . . . 0.0 111.861 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' H ' ' A' ' 13' ' ' MET . 2.9 tp-100 -112.67 177.7 4.54 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.168 1.787 . . . . 0.0 112.18 172.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.435 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -57.85 -32.95 68.15 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.621 1.169 . . . . 0.0 113.744 -164.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -67.13 -23.04 65.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.873 1.669 . . . . 0.0 113.987 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.45 -20.75 15.0 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.004 1.322 . . . . 0.0 112.313 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 47.3 t -85.04 -68.1 0.75 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.599 1.96 . . . . 0.0 112.848 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p 53.38 18.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.749 2.42 . . . . 0.0 115.125 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -82.69 2.93 31.23 Favored 'General case' 0 CA--C 1.558 1.286 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -161.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.455 ' HB2' ' C6 ' ' B' ' 22' ' ' ' DC' . 27.3 ttp180 . . . . . 0 N--CA 1.493 1.72 0 C-N-CA 127.081 2.153 . . . . 0.0 113.225 -168.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 2 O4'-C1'-N19 112.751 6.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.85 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.455 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 1 C5'--C4' 1.543 4.006 2 O4'-C1'-N19 111.853 5.067 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.415 1 O4'-C1'-N19 113.967 7.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.467 1 O4'-C1'-N19 119.635 14.794 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.749 2 O4'-C1'-N19 113.072 6.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.46 -118.54 0.65 Allowed Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.218 1.39 . . . . 0.0 113.226 -171.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.54 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.1 t -62.91 153.41 33.53 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.945 1.373 . . . . 0.0 110.415 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -58.07 6.85 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.841 0.856 . . . . 0.0 111.114 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -23.52 11.15 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.653 1.181 . . . . 0.0 114.013 -171.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.61 -54.09 6.22 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.035 0.934 . . . . 0.0 112.193 -172.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.54 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 99.37 30.27 6.67 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.821 2.153 . . . . 0.0 115.779 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -129.39 11.29 5.83 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 -162.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 53.64 29.33 9.16 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.68 -36.43 7.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 120.952 -1.093 . . . . 0.0 113.941 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -166.28 -165.48 0.78 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.843 1.657 . . . . 0.0 109.918 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -117.56 176.45 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.625 1.97 . . . . 0.0 110.921 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.1 mtm -49.55 -38.88 32.75 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.078 1.351 . . . . 0.0 113.693 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -17.76 60.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.969 1.708 . . . . 0.0 114.35 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.31 -22.33 10.96 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.395 1.478 . . . . 0.0 113.767 172.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 16.2 t -77.82 -68.55 0.62 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.763 1.625 . . . . 0.0 110.409 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.5 t 39.94 42.29 1.04 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.66 1.984 . . . . 0.0 113.418 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.61 15.82 26.85 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -174.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 127.953 2.501 . . . . 0.0 116.058 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 1 O4'-C1'-N19 114.015 7.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 1 O4'-C4'-C3' 109.726 4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.51 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.796 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.51 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.741 1 O4'-C1'-N19 115.079 9.098 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 3 O4'-C1'-N19 116.427 10.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.314 4.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 119.74 -0.171 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.408 ' HA3' ' H ' ' A' ' 9' ' ' GLU . . . 131.02 -129.96 5.92 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 123.841 0.734 . . . . 0.0 113.616 -175.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.452 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -59.05 151.93 21.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.11 0.564 . . . . 0.0 110.995 174.141 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.476 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 1.1 t90 -61.24 -50.49 72.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.482 1.113 . . . . 0.0 113.208 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -39.53 6.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.13 0.972 . . . . 0.0 112.594 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -70.67 -52.59 20.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 113.054 -168.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 91.17 43.26 4.73 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.662 1.125 . . . . 0.0 114.501 176.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -138.42 9.14 2.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 -167.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' H ' ' HA3' ' A' ' 2' ' ' GLY . 17.2 mt-10 53.44 37.2 25.04 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.57 -46.16 5.28 Favored Glycine 0 C--N 1.338 0.685 0 O-C-N 121.48 -0.763 . . . . 0.0 113.255 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -165.26 -168.04 1.3 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.968 1.707 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -109.62 176.69 4.98 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.525 2.33 . . . . 0.0 111.156 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.49 -36.04 75.26 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.049 -167.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -59.53 -13.96 11.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.787 1.635 . . . . 0.0 114.906 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.62 -8.64 9.01 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 42.0 t -85.74 -71.25 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.935 1.694 . . . . 0.0 109.853 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.369 0.6 OUTLIER 55.39 12.46 0.74 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.935 2.494 . . . . 0.0 115.003 -173.775 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -83.41 -1.86 54.46 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -161.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HB2' ' C6 ' ' B' ' 22' ' ' ' DC' . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 C-N-CA 126.421 1.888 . . . . 0.0 114.149 -175.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 115.564 9.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 1 O4'-C4'-C3' 109.681 4.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.436 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -3.012 2 O4'-C1'-N19 112.437 5.796 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.476 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 O4'--C4' 1.414 -2.868 1 O4'-C1'-N19 115.046 9.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.469 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.646 1 O4'-C1'-N19 117.192 11.74 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . 0.469 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.489 0 C4'-C3'-C2' 99.942 -3.258 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.93 -127.34 7.38 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 125.487 1.518 . . . . 0.0 112.771 -171.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -58.79 146.14 38.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.875 0.47 . . . . 0.0 110.995 176.584 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -50.93 -56.09 14.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 113.018 165.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.39 -36.02 6.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.0 m -71.29 -57.9 4.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.498 0.666 . . . . 0.0 110.906 -172.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.518 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 104.94 23.4 7.79 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.634 2.064 . . . . 0.0 115.685 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -125.42 4.37 7.67 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -162.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 60.24 29.13 18.75 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.3 -45.7 7.33 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.527 -0.733 . . . . 0.0 111.704 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -159.03 -171.32 3.34 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -102.27 168.48 9.32 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 129.473 3.109 . . . . 0.0 112.482 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.6 mtp -49.06 -38.64 24.81 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.218 1.807 . . . . 0.0 113.513 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.01 -19.26 63.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.888 1.675 . . . . 0.0 114.604 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.96 -22.23 13.5 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.347 1.459 . . . . 0.0 112.975 172.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 7.7 t -78.44 -75.22 0.24 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.154 2.181 . . . . 0.0 110.537 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p 54.38 17.65 1.63 Allowed 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 126.53 1.932 . . . . 0.0 112.771 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.03 4.97 53.09 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -161.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.374 2.4 ptt180 . . . . . 0 N--CA 1.486 1.37 0 C-N-CA 129.572 3.149 . . . . 0.0 116.566 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.555 0 O4'-C1'-N19 110.625 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 2 P-O3'-C3' 126.085 5.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.411 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.812 1 O5'-C5'-C4' 116.033 4.166 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.411 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.837 1 O4'-C1'-N19 113.963 7.704 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.474 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.185 2 O4'-C1'-N19 117.099 11.623 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . 0.474 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 112.307 5.634 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.85 -129.82 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.737 1.637 . . . . 0.0 111.398 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.483 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.6 t -54.8 165.62 0.6 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.412 1.485 . . . . 0.0 112.94 171.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.408 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 0.7 OUTLIER -80.76 -37.3 30.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 126.735 2.014 . . . . 0.0 112.895 171.515 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -35.57 2.91 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -173.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.0 m -70.7 -55.2 9.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.977 0.911 . . . . 0.0 109.812 -171.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.483 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 110.2 24.24 5.77 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.604 2.05 . . . . 0.0 114.914 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -136.5 151.1 49.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.878 2.071 . . . . 0.0 108.956 -169.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -74.92 49.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.179 1.354 . . . . 0.0 113.103 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.4 -41.1 6.23 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 120.814 -1.179 . . . . 0.0 112.84 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -168.62 -175.62 2.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.249 1.42 . . . . 0.0 111.552 -174.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -125.83 175.55 7.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.529 2.732 . . . . 0.0 110.669 171.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -55.5 -33.55 63.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.652 1.181 . . . . 0.0 114.142 -158.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -63.84 -35.87 82.04 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.149 1.379 . . . . 0.0 113.18 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 -22.69 20.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.233 0.613 . . . . 0.0 112.581 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.593 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.0 t -77.76 -78.22 0.14 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.681 1.992 . . . . 0.0 110.906 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 1.5 p 58.64 16.28 4.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 129.261 3.025 . . . . 0.0 115.564 -167.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -89.74 14.25 12.27 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 -158.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HG3' ' C6 ' ' B' ' 24' ' ' ' DC' . 6.4 ttp180 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.213 2.605 . . . . 0.0 115.683 -173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.088 1 O4'-C1'-N19 112.436 5.795 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.664 1 C4'-C3'-C2' 99.147 -4.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 1 O4'-C1'-N19 111.266 4.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.408 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.54 3.576 2 O4'-C1'-N19 114.313 8.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.418 ' C6 ' ' HG3' ' A' ' 19' ' ' ARG . . . . . . . . 1 C5'--C4' 1.556 5.57 3 O4'-C1'-N19 111.352 4.44 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 O4'-C1'-N19 118.335 13.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.2 pttp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.34 -121.75 8.36 Favored Glycine 0 CA--C 1.536 1.379 0 O-C-N 121.385 -0.822 . . . . 0.0 111.814 -174.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.3 t -65.34 175.4 1.72 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 124.295 1.998 . . . . 0.0 111.45 167.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -93.47 -57.67 2.52 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 128.451 2.7 . . . . 0.0 111.26 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 -30.59 12.84 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -76.26 -53.98 7.44 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.844 0.831 . . . . 0.0 110.709 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.523 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 97.53 34.73 5.43 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 127.212 2.339 . . . . 0.0 115.41 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -147.62 155.67 42.03 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.019 1.728 . . . . 0.0 108.94 -169.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -76.77 50.86 0.73 Allowed 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.77 1.168 . . . . 0.0 114.017 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.68 5.79 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 120.532 -1.355 . . . . 0.0 112.801 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -169.82 -168.15 0.74 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.654 1.182 . . . . 0.0 111.166 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -119.92 174.35 6.51 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 128.282 2.633 . . . . 0.0 111.084 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtp -52.55 -38.7 60.33 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.186 1.394 . . . . 0.0 113.379 -170.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -20.79 66.09 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.561 1.544 . . . . 0.0 114.265 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.01 -27.52 12.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 9.9 t -73.64 -74.77 0.17 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.353 1.461 . . . . 0.0 110.869 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.314 0.6 OUTLIER 57.82 1.88 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 129.728 3.211 . . . . 0.0 116.601 -170.097 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.46 12.0 3.31 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 -158.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HB2' ' C6 ' ' B' ' 22' ' ' ' DC' . 14.0 ttt180 . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 128.179 2.592 . . . . 0.0 115.037 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.669 0 O4'-C1'-N19 110.494 3.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.207 1 P-O3'-C3' 126.532 5.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.406 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.848 0 N19-C1'-C2' 119.639 3.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.746 2 O4'-C1'-N19 113.492 7.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.46 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.427 2 O4'-C1'-N19 116.443 10.804 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . 0.46 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.75 1 O4'-C1'-N19 116.05 10.313 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -125.68 -123.05 2.65 Favored Glycine 0 N--CA 1.467 0.735 0 C-N-CA 124.001 0.81 . . . . 0.0 113.52 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.466 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -61.59 153.92 26.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.775 0.798 . . . . 0.0 110.622 172.036 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 1.6 t90 -66.28 -45.79 79.24 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.747 1.619 . . . . 0.0 113.9 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -112.55 -28.67 7.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.671 1.188 . . . . 0.0 113.803 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 m -81.57 -59.0 2.77 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.268 1.427 . . . . 0.0 112.29 -172.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 95.47 40.53 4.17 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.513 1.054 . . . . 0.0 114.97 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.07 12.67 4.71 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -170.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 53.96 20.19 2.31 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.69 -38.93 30.64 Favored Glycine 0 C--N 1.338 0.646 0 O-C-N 120.838 -1.164 . . . . 0.0 112.31 -171.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -166.54 -173.25 2.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 112.871 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.94 167.83 10.01 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.352 1.861 . . . . 0.0 111.938 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -40.52 68.34 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -20.21 5.94 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 129.053 2.941 . . . . 0.0 115.487 173.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.48 -21.89 10.1 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.057 2.143 . . . . 0.0 111.503 -177.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 43.2 t -79.84 -74.11 0.32 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.02 1.728 . . . . 0.0 110.459 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.4 t 44.55 34.87 1.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.854 2.061 . . . . 0.0 112.222 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 3.6 mt-10 -99.53 19.58 15.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 119.484 -2.01 . . . . 0.0 115.84 -175.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.522 ' C ' ' HE3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 129.535 3.134 . . . . 0.0 116.294 175.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 1 O4'-C1'-N19 113.86 7.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C4'-C3' 108.864 3.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 1 O4'-C1'-C2' 100.969 -4.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.436 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 114.131 7.914 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.452 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.55 4.904 2 O4'-C1'-N19 116.927 11.409 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . 0.452 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.425 1 O4'-C1'-N19 111.603 4.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 119.128 -0.463 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.33 -122.23 1.86 Allowed Glycine 0 CA--C 1.534 1.263 0 CA-C-N 119.441 1.019 . . . . 0.0 111.883 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 7.7 t -64.56 171.81 3.04 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.915 1.686 . . . . 0.0 110.924 167.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -84.77 -48.94 8.9 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 126.591 1.956 . . . . 0.0 111.798 168.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HE2' ' OXT' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -115.45 -29.86 6.4 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -174.103 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.54 -41.61 60.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.976 0.91 . . . . 0.0 111.628 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 102.19 22.46 9.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 127.241 2.353 . . . . 0.0 116.066 171.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -144.79 157.5 44.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.167 1.387 . . . . 0.0 110.242 -163.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.59 43.41 0.48 Allowed 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 113.407 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.66 -38.27 10.86 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.856 -0.969 . . . . 0.0 112.585 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.614 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 3.0 p-80 -170.09 -173.39 1.52 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.612 1.165 . . . . 0.0 111.853 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.67 170.45 8.13 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.199 2.999 . . . . 0.0 111.751 170.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.9 mtp -46.14 -42.93 14.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.604 1.562 . . . . 0.0 113.03 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -63.58 -25.13 68.1 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.058 1.743 . . . . 0.0 114.579 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.82 -14.3 15.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.462 1.505 . . . . 0.0 114.262 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.614 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 30.3 t -77.97 -83.3 0.08 Allowed 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 127.252 2.221 . . . . 0.0 109.284 172.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.322 1.7 t 43.27 41.7 3.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.976 1.71 . . . . 0.0 109.287 -169.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 69.2 mm-40 -100.43 17.59 21.19 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.397 -2.065 . . . . 0.0 114.797 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' OXT' ' HE2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 128.674 2.789 . . . . 0.0 115.879 172.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 2 O4'-C1'-N19 116.12 10.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C4'-C3' 110.461 4.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.427 ' C2 ' ' HB3' ' A' ' 19' ' ' ARG . . . . . . . . 1 C5'--C4' 1.552 5.087 1 O4'-C1'-N19 111.296 4.37 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 2 O4'-C1'-N19 114.781 8.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.602 2 O4'-C1'-N19 118.934 13.917 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 113.445 7.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.0 pttt . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 111.452 0.167 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.03 -119.67 5.01 Favored Glycine 0 CA--C 1.536 1.374 0 O-C-N 121.352 -0.843 . . . . 0.0 114.181 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.509 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -59.33 162.95 4.23 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.104 0.954 . . . . 0.0 110.298 170.437 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -62.44 1.4 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.342 1.057 . . . . 0.0 110.648 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -40.25 8.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.88 0.872 . . . . 0.0 112.473 -174.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 m -65.43 -64.8 0.78 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.743 1.217 . . . . 0.0 110.365 -174.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.509 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 94.96 48.38 2.47 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.823 1.202 . . . . 0.0 113.432 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -137.07 13.96 3.07 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 53.52 28.35 7.63 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.41 -39.79 8.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.138 -0.976 . . . . 0.0 112.444 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -159.6 -162.15 1.0 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.348 1.059 . . . . 0.0 112.162 178.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -118.95 171.94 7.89 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 127.094 2.157 . . . . 0.0 111.237 169.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.6 mtm -38.26 -44.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 128.069 2.548 . . . . 0.0 114.187 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -16.25 63.29 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.149 1.38 . . . . 0.0 114.655 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -10.34 11.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.626 1.97 . . . . 0.0 113.913 172.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.2 t -88.42 -71.21 0.6 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.905 2.082 . . . . 0.0 110.184 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 13.6 t 45.94 40.19 6.5 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.338 1.855 . . . . 0.0 113.271 -173.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.48 11.76 37.22 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 . . . . . 0 N--CA 1.487 1.417 0 C-N-CA 126.56 1.944 . . . . 0.0 114.32 -177.646 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 2 O4'-C1'-N19 113.765 7.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.968 1 O4'-C1'-N19 112.456 5.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.542 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.491 2 P-O3'-C3' 125.255 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.542 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.609 1 O4'-C1'-N19 115.267 9.334 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.096 2 O4'-C1'-N19 116.22 10.525 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.546 2 O4'-C1'-N19 114.315 8.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.02 -123.23 0.7 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.888 1.232 . . . . 0.0 112.794 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 146.35 46.51 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.228 1.014 . . . . 0.0 110.15 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.775 1.63 . . . . 0.0 112.694 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -29.1 5.74 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -175.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.8 m -83.76 -45.08 13.74 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.225 1.41 . . . . 0.0 114.035 -167.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 31.59 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 125.753 1.644 . . . . 0.0 116.111 174.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -136.57 11.46 3.2 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -163.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 52.23 28.64 5.77 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.83 -46.46 13.94 Favored Glycine 0 C--N 1.337 0.605 0 O-C-N 120.772 -1.205 . . . . 0.0 111.297 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -161.89 -160.61 0.7 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.053 1.741 . . . . 0.0 110.23 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.0 175.58 5.99 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 127.271 2.229 . . . . 0.0 110.143 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -35.41 51.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.854 0.862 . . . . 0.0 112.801 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -28.48 68.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.777 1.631 . . . . 0.0 113.748 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -20.54 13.48 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.426 1.49 . . . . 0.0 112.311 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.1 t -76.34 -75.66 0.18 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.348 1.459 . . . . 0.0 109.932 174.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.8 t 42.42 42.86 2.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.614 1.565 . . . . 0.0 112.215 -171.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -100.22 -0.35 38.86 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ttp85 . . . . . 0 N--CA 1.494 1.769 0 C-N-CA 126.886 2.074 . . . . 0.0 113.407 -173.555 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.768 2 O4'-C1'-N19 113.485 7.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 0 O4'-C1'-N19 110.169 2.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.445 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.151 2 O4'-C1'-N19 111.757 4.947 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.445 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.516 1 O4'-C1'-N19 114.842 8.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.455 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.712 2 O4'-C1'-N19 117.067 11.584 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . 0.455 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 112.923 6.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.9 tttt . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.23 -128.64 8.47 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 125.994 1.759 . . . . 0.0 111.299 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.5 t -62.0 172.97 1.19 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 123.565 1.65 . . . . 0.0 112.451 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.422 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 3.4 t90 -83.16 -48.24 10.74 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 127.429 2.292 . . . . 0.0 112.525 175.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -118.06 -29.58 5.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.529 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.2 m -69.77 -50.49 42.66 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.438 1.095 . . . . 0.0 111.405 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 98.08 30.86 6.84 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.991 2.234 . . . . 0.0 115.476 172.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -142.94 153.75 43.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.21 2.204 . . . . 0.0 108.879 -169.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.21 47.25 0.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.604 1.547 . . . . 0.0 113.627 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.52 -34.37 8.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 120.545 -1.347 . . . . 0.0 113.993 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.3 p-80 -172.76 -167.92 0.47 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.038 1.735 . . . . 0.0 110.802 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -123.0 176.95 5.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.607 1.963 . . . . 0.0 111.367 165.745 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.412 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 40.4 mtm -43.41 -41.51 4.26 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.974 2.11 . . . . 0.0 113.605 -174.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -68.5 -19.15 64.51 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.612 1.565 . . . . 0.0 114.816 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.45 -22.13 12.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.241 1.016 . . . . 0.0 112.453 171.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.3 t -68.49 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.037 2.135 . . . . 0.0 110.212 174.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.423 HG22 ' C5 ' ' B' ' 23' ' ' ' DG' . 10.5 p 63.7 -3.32 0.43 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.467 2.307 . . . . 0.0 115.433 -164.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -83.08 21.28 1.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -151.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' C ' ' HE3' ' A' ' 5' ' ' LYS 0.292 2.6 ptm180 . . . . . 0 N--CA 1.49 1.541 1 C-N-CA 131.702 4.001 . . . . 0.0 120.32 177.958 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.375 1 O4'-C1'-N19 112.907 6.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 1 O4'-C1'-N19 113.452 7.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.195 2 P-O3'-C3' 126.653 5.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.423 ' C5 ' HG22 ' A' ' 17' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.581 1 O4'-C1'-N19 113.417 7.021 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.507 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.408 2 O4'-C1'-N19 116.238 10.548 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . 0.507 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.447 0 C4'-C3'-C2' 100.34 -2.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.63 -121.64 0.64 Allowed Glycine 0 CA--C 1.537 1.463 0 C-N-CA 126.665 2.079 . . . . 0.0 109.657 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.536 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 9.8 t -60.1 168.99 1.69 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 123.669 1.699 . . . . 0.0 112.168 169.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -89.62 -40.78 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.332 2.253 . . . . 0.0 112.74 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -28.81 7.02 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.5 m -80.9 -57.67 3.44 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.872 0.844 . . . . 0.0 110.44 -170.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.536 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.62 19.88 5.98 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 127.14 2.305 . . . . 0.0 114.89 174.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -129.38 150.1 50.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.379 2.272 . . . . 0.0 110.177 -170.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.82 50.16 0.34 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 114.159 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.24 -46.5 4.99 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 120.679 -1.263 . . . . 0.0 113.522 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.5 p-80 -173.56 -167.37 0.38 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.777 1.631 . . . . 0.0 110.759 176.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -111.83 178.21 4.39 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 128.031 2.533 . . . . 0.0 111.395 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -30.81 71.36 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.19 -0.944 . . . . 0.0 112.541 -169.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -13.91 6.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 169.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.86 -23.83 4.95 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.529 1.131 . . . . 0.0 113.216 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.6 t -80.65 -72.3 0.42 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.713 1.205 . . . . 0.0 110.537 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.327 5.5 t 49.1 40.97 18.64 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.508 1.923 . . . . 0.0 111.857 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -104.67 10.68 34.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 -174.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 . . . . . 0 N--CA 1.487 1.41 0 C-N-CA 127.017 2.127 . . . . 0.0 114.432 -176.61 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.122 2 O4'-C1'-N19 114.702 8.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 112.919 6.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 4 P-O3'-C3' 125.605 4.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 2 P-O3'-C3' 128.765 7.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.5 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.151 1 O4'-C1'-N19 116.13 10.413 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . 0.5 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.181 1 O4'-C1'-N19 112.43 5.787 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.6 -112.39 0.95 Allowed Glycine 0 N--CA 1.472 1.057 0 C-N-CA 124.702 1.144 . . . . 0.0 111.258 -177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 4.6 t -70.02 171.7 9.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.122 1.769 . . . . 0.0 111.765 167.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -81.52 -58.84 2.85 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 127.243 2.217 . . . . 0.0 111.07 169.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -106.2 -29.76 9.63 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -73.29 -46.43 49.71 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.756 0.707 . . . . 0.0 112.302 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 105.06 17.35 14.28 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 127.062 2.268 . . . . 0.0 115.215 173.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -132.67 154.04 50.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 127.089 2.155 . . . . 0.0 109.738 -166.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -76.52 50.7 0.68 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 120.397 1.453 . . . . 0.0 112.461 169.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.18 -39.99 5.92 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.29 0.947 . . . . 0.0 113.557 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.7 p-80 -174.7 177.53 2.07 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.577 1.551 . . . . 0.0 110.499 -174.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -110.57 179.83 3.96 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.925 1.69 . . . . 0.0 110.816 168.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.2 mtp -52.65 -36.59 57.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.396 1.078 . . . . 0.0 112.063 -169.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -63.37 -17.06 62.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.464 1.906 . . . . 0.0 115.277 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.5 -2.53 9.97 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.651 1.58 . . . . 0.0 113.01 174.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 15.2 t -91.09 -75.04 0.48 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.95 1.7 . . . . 0.0 109.155 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.344 0.7 OUTLIER 51.22 18.85 0.65 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.732 2.413 . . . . 0.0 114.495 -168.267 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.51 7.99 38.61 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -162.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.486 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 12.3 ttt-85 . . . . . 0 N--CA 1.493 1.713 0 C-N-CA 128.649 2.78 . . . . 0.0 114.972 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.023 2 O4'-C1'-N19 113.507 7.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.228 1 O4'-C1'-N19 112.907 6.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.471 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.761 2 O4'-C1'-N19 112.362 5.703 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.987 2 O4'-C1'-N19 115.652 9.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.533 2 O4'-C1'-N19 115.435 9.543 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 121.29 0.567 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 119.62 -117.74 3.7 Favored Glycine 0 N--CA 1.467 0.753 0 O-C-N 120.633 -1.292 . . . . 0.0 114.398 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.449 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 9.7 t -62.98 149.55 44.55 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.788 0.804 . . . . 0.0 110.43 173.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.459 ' CG ' ' HG2' ' A' ' 13' ' ' MET . 10.6 t90 -60.29 -52.77 63.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.101 1.76 . . . . 0.0 113.791 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 -31.42 7.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.417 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 10.2 m -82.19 -38.84 24.02 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -166.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 78.17 44.52 11.44 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.066 1.317 . . . . 0.0 114.965 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 5.6 mtmp? -136.13 6.32 3.09 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -167.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 56.36 23.9 7.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.06 -37.02 13.32 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.891 -1.13 . . . . 0.0 113.724 -169.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.1 p-80 -169.25 -162.97 0.38 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.994 1.718 . . . . 0.0 110.629 174.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.12 174.27 5.95 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 125.631 1.572 . . . . 0.0 112.387 171.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.459 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 8.0 mtm -52.6 -35.91 55.23 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.957 0.903 . . . . 0.0 112.864 -175.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -63.37 -24.38 67.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.861 1.264 . . . . 0.0 113.689 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.48 -26.93 12.67 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.66 1.184 . . . . 0.0 112.794 177.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 37.4 t -74.46 -71.08 0.36 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.434 1.894 . . . . 0.0 111.448 175.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 p 56.38 13.9 1.43 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.913 2.485 . . . . 0.0 115.311 -171.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.66 15.11 2.75 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -156.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 . . . . . 0 C--O 1.258 1.54 0 C-N-CA 125.963 1.705 . . . . 0.0 112.197 -174.262 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 1 O4'-C1'-N19 113.531 7.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C1'-N19 110.071 2.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.436 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.086 1 P-O3'-C3' 126.006 5.255 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.436 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.31 1 O4'-C1'-N19 113.411 7.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . 0.406 " H3'" ' CZ2' ' A' ' 4' ' ' TRP . . . . . . . . 1 C5'--C4' 1.549 4.756 4 O4'-C1'-N19 115.088 9.111 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.897 5.121 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.91 -128.36 1.04 Allowed Glycine 0 CA--C 1.536 1.398 0 CA-C-N 120.027 1.285 . . . . 0.0 112.132 172.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 4.2 t -59.71 174.59 0.44 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 123.166 1.46 . . . . 0.0 112.78 170.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.97 -54.4 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.683 1.993 . . . . 0.0 111.148 167.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -26.77 8.78 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.5 m -73.57 -38.8 65.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.828 0.74 . . . . 0.0 112.542 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 88.01 30.33 17.73 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.365 1.936 . . . . 0.0 115.205 175.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -145.38 147.12 31.92 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.478 1.911 . . . . 0.0 109.434 -166.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.09 40.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.661 1.119 . . . . 0.0 113.713 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.42 -44.58 7.87 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 120.722 -1.236 . . . . 0.0 111.898 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.2 p-80 -162.37 -172.56 3.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.316 1.046 . . . . 0.0 112.63 -178.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.07 173.2 6.42 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.498 2.319 . . . . 0.0 111.801 166.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.2 mtm -46.45 -43.47 16.6 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 125.08 1.352 . . . . 0.0 112.82 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -59.08 -26.25 64.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.02 -25.34 14.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.47 0.708 . . . . 0.0 112.376 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 17.9 t -70.13 -73.57 0.16 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.916 1.687 . . . . 0.0 110.653 177.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.301 9.3 t 47.34 37.93 6.61 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.362 1.865 . . . . 0.0 114.363 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -100.97 14.2 32.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -174.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 127.561 2.344 . . . . 0.0 116.631 -178.66 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 1 O4'-C1'-N19 111.47 4.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.55 1 O4'-C1'-N19 111.106 4.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ' DC' . . . . . 0.476 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.542 2 P-O3'-C3' 126.048 5.29 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ' DG' . . . . . 0.476 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.332 1 O4'-C1'-N19 114.775 8.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.06 2 O4'-C1'-N19 117.054 11.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 1 O4'-C1'-N19 113.071 6.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.31 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 12.0 t -59.24 179.75 0.09 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.046 1.739 . . . . 0.0 111.482 169.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -99.82 -48.77 4.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 126.494 1.917 . . . . 0.0 111.451 173.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -108.92 -22.26 12.26 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.481 ' CB ' ' HG ' ' A' ' 3' ' ' CYS . 58.7 m -86.72 -61.87 1.63 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.37 0.605 . . . . 0.0 110.92 -171.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.56 33.74 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.528 1.537 . . . . 0.0 114.503 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -144.45 149.93 36.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 110.459 -171.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.05 38.46 0.07 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.17 1.388 . . . . 0.0 114.315 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.26 -51.27 10.21 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 120.458 -1.402 . . . . 0.0 112.073 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -168.7 -161.98 0.36 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.027 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.85 175.41 5.45 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 129.377 3.071 . . . . 0.0 112.383 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.51 74.22 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.185 -168.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -14.86 62.94 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.694 1.134 . . . . 0.0 114.015 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.09 -19.81 13.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 112.951 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.502 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 8.9 t -86.51 -77.06 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.933 1.693 . . . . 0.0 109.865 172.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 p 64.59 8.04 4.14 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 127.374 2.27 . . . . 0.0 114.64 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -80.23 19.86 0.72 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -154.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.483 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 9.5 tmm_? . . . . . 0 C--O 1.26 1.638 0 C-N-CA 126.354 1.862 . . . . 0.0 112.442 -173.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 114.829 0.692 . . . . 0.0 114.829 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.526 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -58.66 159.75 6.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 122.237 1.018 . . . . 0.0 109.359 170.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -77.5 -38.99 47.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 124.218 1.007 . . . . 0.0 113.006 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -115.67 -34.99 4.67 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.541 1.136 . . . . 0.0 113.066 -179.416 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.503 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 6.3 m -76.43 -50.98 12.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.872 0.869 . . . . 0.0 111.808 -170.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.526 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 92.51 40.45 5.05 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.425 1.488 . . . . 0.0 113.867 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 7.0 mtmp? -133.92 9.72 3.88 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -166.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 54.34 27.39 7.99 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.72 -41.55 7.2 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.639 1.114 . . . . 0.0 112.645 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.8 p-80 -165.7 -166.92 1.01 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.958 1.303 . . . . 0.0 111.54 178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -112.38 176.68 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 127.995 2.518 . . . . 0.0 111.67 174.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.99 -36.46 77.23 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.397 1.079 . . . . 0.0 113.532 -164.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -23.32 67.38 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.083 1.353 . . . . 0.0 113.114 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -25.44 13.84 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.453 1.501 . . . . 0.0 113.021 176.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 53.2 t -79.16 -78.26 0.16 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.965 2.106 . . . . 0.0 109.822 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.303 7.7 t 41.82 45.06 3.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.126 2.171 . . . . 0.0 111.996 -169.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -97.9 21.55 10.46 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.456 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 53.7 mtt180 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 128.586 2.754 . . . . 0.0 114.157 -169.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.107 0 CA-C-O 120.074 -0.292 . . . . 0.0 113.235 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 35.4 t -71.89 -179.22 2.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.212 1.805 . . . . 0.0 109.987 170.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.27 -40.77 7.77 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 127.376 2.27 . . . . 0.0 111.673 170.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HE2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -119.34 -28.12 5.46 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -174.242 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.455 ' H ' ' HG ' ' A' ' 3' ' ' CYS . 56.5 m -82.51 -51.62 7.63 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.471 1.108 . . . . 0.0 111.797 -170.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.502 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 109.72 28.03 4.4 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 126.525 2.012 . . . . 0.0 115.855 174.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.84 150.67 38.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.981 1.712 . . . . 0.0 111.223 -167.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.33 49.89 0.61 Allowed 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.157 1.344 . . . . 0.0 114.109 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.72 4.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 120.791 -1.193 . . . . 0.0 111.83 173.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -170.75 -172.59 1.21 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.938 1.295 . . . . 0.0 110.595 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.44 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 128.063 2.545 . . . . 0.0 111.552 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -58.35 -34.12 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.297 1.439 . . . . 0.0 113.408 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -24.22 67.65 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.878 0.871 . . . . 0.0 113.002 175.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.56 -26.73 13.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.598 1.159 . . . . 0.0 112.487 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.0 t -77.99 -72.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.056 1.342 . . . . 0.0 110.853 175.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p 61.0 0.15 0.36 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.266 2.227 . . . . 0.0 115.559 -168.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.73 27.52 0.73 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -156.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.476 ' O ' ' HE2' ' A' ' 5' ' ' LYS 0.253 0.1 OUTLIER . . . . . 0 C--O 1.25 1.115 0 C-N-CA 130.631 3.573 . . . . 0.0 119.11 178.279 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 114.3 0.48 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -53.52 154.02 3.83 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.37 1.081 . . . . 0.0 110.434 173.375 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -61.77 -52.93 62.19 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 112.487 175.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.96 -33.41 6.72 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.721 1.209 . . . . 0.0 113.265 -176.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.7 m -73.33 -68.75 0.47 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.999 0.919 . . . . 0.0 109.736 -171.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 112.71 33.88 1.98 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.816 1.198 . . . . 0.0 116.021 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -129.42 9.3 5.56 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 57.37 20.21 5.73 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.89 -34.7 52.34 Favored Glycine 0 CA--C 1.525 0.704 0 O-C-N 121.132 -0.98 . . . . 0.0 112.4 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -164.71 -160.18 0.5 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.376 1.47 . . . . 0.0 111.367 172.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.12 175.73 5.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.696 2.798 . . . . 0.0 112.924 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 mtm -52.97 -39.77 63.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -24.08 67.69 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.04 -11.93 15.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.744 1.218 . . . . 0.0 113.288 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.491 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 34.1 t -84.5 -72.95 0.45 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.161 1.785 . . . . 0.0 110.064 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 p 56.46 19.6 4.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.596 1.558 . . . . 0.0 113.717 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -85.77 -0.41 55.17 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -163.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 . . . . . 0 C--O 1.266 1.936 0 C-N-CA 126.934 2.093 . . . . 0.0 111.96 -167.371 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.881 0 CA-C-O 119.447 -0.641 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -54.55 142.59 27.22 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.923 0.889 . . . . 0.0 110.564 174.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -54.63 -50.6 67.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.76 1.624 . . . . 0.0 113.355 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.91 -22.36 11.9 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.44 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 3.5 m -93.87 -39.41 10.71 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.999 0.92 . . . . 0.0 112.707 -168.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.448 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 82.89 39.14 10.57 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.417 1.008 . . . . 0.0 115.231 173.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 5.6 mtmp? -136.35 9.5 3.19 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -165.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 54.23 25.39 5.75 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.12 -39.64 15.69 Favored Glycine 0 CA--C 1.525 0.713 0 O-C-N 120.368 -1.458 . . . . 0.0 112.647 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -169.17 -165.98 0.58 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.106 1.362 . . . . 0.0 111.861 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' H ' ' A' ' 13' ' ' MET . 2.9 tp-100 -112.67 177.7 4.54 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.168 1.787 . . . . 0.0 112.18 172.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.435 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -57.85 -32.95 68.15 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.621 1.169 . . . . 0.0 113.744 -164.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -67.13 -23.04 65.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.873 1.669 . . . . 0.0 113.987 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.45 -20.75 15.0 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.004 1.322 . . . . 0.0 112.313 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 47.3 t -85.04 -68.1 0.75 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.599 1.96 . . . . 0.0 112.848 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p 53.38 18.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.749 2.42 . . . . 0.0 115.125 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -82.69 2.93 31.23 Favored 'General case' 0 CA--C 1.558 1.286 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -161.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 . . . . . 0 N--CA 1.493 1.72 0 C-N-CA 127.081 2.153 . . . . 0.0 113.225 -168.36 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.517 0 CA-C-O 118.432 -1.205 . . . . 0.0 113.226 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.54 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.1 t -62.91 153.41 33.53 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.945 1.373 . . . . 0.0 110.415 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -58.07 6.85 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.841 0.856 . . . . 0.0 111.114 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -23.52 11.15 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.653 1.181 . . . . 0.0 114.013 -171.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.419 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 35.4 m -79.61 -54.09 6.22 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.035 0.934 . . . . 0.0 112.193 -172.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.54 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 99.37 30.27 6.67 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.821 2.153 . . . . 0.0 115.779 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -129.39 11.29 5.83 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 -162.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 53.64 29.33 9.16 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.68 -36.43 7.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 120.952 -1.093 . . . . 0.0 113.941 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -166.28 -165.48 0.78 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.843 1.657 . . . . 0.0 109.918 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -117.56 176.45 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.625 1.97 . . . . 0.0 110.921 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.1 mtm -49.55 -38.88 32.75 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.078 1.351 . . . . 0.0 113.693 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -17.76 60.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.969 1.708 . . . . 0.0 114.35 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.31 -22.33 10.96 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.395 1.478 . . . . 0.0 113.767 172.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 16.2 t -77.82 -68.55 0.62 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.763 1.625 . . . . 0.0 110.409 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.5 t 39.94 42.29 1.04 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.66 1.984 . . . . 0.0 113.418 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.61 15.82 26.85 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -174.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 127.953 2.501 . . . . 0.0 116.058 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.408 ' HA3' ' H ' ' A' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 113.616 0.206 . . . . 0.0 113.616 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.532 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -59.05 151.93 21.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.11 0.564 . . . . 0.0 110.995 174.141 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -61.24 -50.49 72.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.482 1.113 . . . . 0.0 113.208 176.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -39.53 6.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.13 0.972 . . . . 0.0 112.594 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.532 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.2 m -70.67 -52.59 20.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 113.054 -168.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 91.17 43.26 4.73 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.662 1.125 . . . . 0.0 114.501 176.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -138.42 9.14 2.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 -167.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.408 ' H ' ' HA3' ' A' ' 2' ' ' GLY . 17.2 mt-10 53.44 37.2 25.04 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.57 -46.16 5.28 Favored Glycine 0 C--N 1.338 0.685 0 O-C-N 121.48 -0.763 . . . . 0.0 113.255 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -165.26 -168.04 1.3 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.968 1.707 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -109.62 176.69 4.98 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.525 2.33 . . . . 0.0 111.156 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.49 -36.04 75.26 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.049 -167.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -59.53 -13.96 11.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.787 1.635 . . . . 0.0 114.906 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.62 -8.64 9.01 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 42.0 t -85.74 -71.25 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.935 1.694 . . . . 0.0 109.853 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.369 0.6 OUTLIER 55.39 12.46 0.74 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.935 2.494 . . . . 0.0 115.003 -173.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -83.41 -1.86 54.46 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -161.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 C-N-CA 126.421 1.888 . . . . 0.0 114.149 -175.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.792 0 CA-C-O 120.206 -0.219 . . . . 0.0 112.771 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -58.79 146.14 38.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.875 0.47 . . . . 0.0 110.995 176.584 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -50.93 -56.09 14.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 113.018 165.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.39 -36.02 6.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.0 m -71.29 -57.9 4.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.498 0.666 . . . . 0.0 110.906 -172.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.518 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 104.94 23.4 7.79 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.634 2.064 . . . . 0.0 115.685 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -125.42 4.37 7.67 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -162.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 60.24 29.13 18.75 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.3 -45.7 7.33 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.527 -0.733 . . . . 0.0 111.704 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -159.03 -171.32 3.34 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -102.27 168.48 9.32 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 129.473 3.109 . . . . 0.0 112.482 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.6 mtp -49.06 -38.64 24.81 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.218 1.807 . . . . 0.0 113.513 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.01 -19.26 63.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.888 1.675 . . . . 0.0 114.604 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.96 -22.23 13.5 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.347 1.459 . . . . 0.0 112.975 172.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 7.7 t -78.44 -75.22 0.24 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.154 2.181 . . . . 0.0 110.537 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p 54.38 17.65 1.63 Allowed 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 126.53 1.932 . . . . 0.0 112.771 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.03 4.97 53.09 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -161.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.374 2.4 ptt180 . . . . . 0 N--CA 1.486 1.37 0 C-N-CA 129.572 3.149 . . . . 0.0 116.566 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.483 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.6 t -54.8 165.62 0.6 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.412 1.485 . . . . 0.0 112.94 171.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -80.76 -37.3 30.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 126.735 2.014 . . . . 0.0 112.895 171.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -35.57 2.91 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -173.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.0 m -70.7 -55.2 9.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.977 0.911 . . . . 0.0 109.812 -171.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.483 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 110.2 24.24 5.77 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.604 2.05 . . . . 0.0 114.914 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -136.5 151.1 49.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.878 2.071 . . . . 0.0 108.956 -169.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -74.92 49.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.179 1.354 . . . . 0.0 113.103 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.4 -41.1 6.23 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 120.814 -1.179 . . . . 0.0 112.84 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -168.62 -175.62 2.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.249 1.42 . . . . 0.0 111.552 -174.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -125.83 175.55 7.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.529 2.732 . . . . 0.0 110.669 171.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -55.5 -33.55 63.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.652 1.181 . . . . 0.0 114.142 -158.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -63.84 -35.87 82.04 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.149 1.379 . . . . 0.0 113.18 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 -22.69 20.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.233 0.613 . . . . 0.0 112.581 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.593 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.0 t -77.76 -78.22 0.14 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.681 1.992 . . . . 0.0 110.906 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 1.5 p 58.64 16.28 4.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 129.261 3.025 . . . . 0.0 115.564 -167.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -89.74 14.25 12.27 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 -158.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.213 2.605 . . . . 0.0 115.683 -173.807 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.379 0 N-CA-C 111.814 -0.515 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.3 t -65.34 175.4 1.72 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 124.295 1.998 . . . . 0.0 111.45 167.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -93.47 -57.67 2.52 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 128.451 2.7 . . . . 0.0 111.26 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 -30.59 12.84 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -76.26 -53.98 7.44 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.844 0.831 . . . . 0.0 110.709 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.523 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 97.53 34.73 5.43 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 127.212 2.339 . . . . 0.0 115.41 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -147.62 155.67 42.03 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.019 1.728 . . . . 0.0 108.94 -169.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -76.77 50.86 0.73 Allowed 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.77 1.168 . . . . 0.0 114.017 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.68 5.79 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 120.532 -1.355 . . . . 0.0 112.801 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -169.82 -168.15 0.74 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.654 1.182 . . . . 0.0 111.166 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -119.92 174.35 6.51 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 128.282 2.633 . . . . 0.0 111.084 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtp -52.55 -38.7 60.33 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.186 1.394 . . . . 0.0 113.379 -170.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -20.79 66.09 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.561 1.544 . . . . 0.0 114.265 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.01 -27.52 12.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 9.9 t -73.64 -74.77 0.17 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.353 1.461 . . . . 0.0 110.869 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.314 0.6 OUTLIER 57.82 1.88 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 129.728 3.211 . . . . 0.0 116.601 -170.097 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.46 12.0 3.31 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 -158.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 128.179 2.592 . . . . 0.0 115.037 -174.13 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.735 0 CA-C-O 119.486 -0.619 . . . . 0.0 113.52 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -61.59 153.92 26.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.775 0.798 . . . . 0.0 110.622 172.036 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -66.28 -45.79 79.24 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.747 1.619 . . . . 0.0 113.9 177.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -112.55 -28.67 7.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.671 1.188 . . . . 0.0 113.803 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -81.57 -59.0 2.77 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.268 1.427 . . . . 0.0 112.29 -172.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.466 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 95.47 40.53 4.17 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.513 1.054 . . . . 0.0 114.97 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.07 12.67 4.71 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -170.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 53.96 20.19 2.31 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.69 -38.93 30.64 Favored Glycine 0 C--N 1.338 0.646 0 O-C-N 120.838 -1.164 . . . . 0.0 112.31 -171.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -166.54 -173.25 2.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 112.871 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.94 167.83 10.01 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.352 1.861 . . . . 0.0 111.938 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -40.52 68.34 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -20.21 5.94 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 129.053 2.941 . . . . 0.0 115.487 173.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.48 -21.89 10.1 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.057 2.143 . . . . 0.0 111.503 -177.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 43.2 t -79.84 -74.11 0.32 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.02 1.728 . . . . 0.0 110.459 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.4 t 44.55 34.87 1.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.854 2.061 . . . . 0.0 112.222 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 3.6 mt-10 -99.53 19.58 15.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 119.484 -2.01 . . . . 0.0 115.84 -175.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.522 ' C ' ' HE3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 129.535 3.134 . . . . 0.0 116.294 175.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.263 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 7.7 t -64.56 171.81 3.04 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.915 1.686 . . . . 0.0 110.924 167.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -84.77 -48.94 8.9 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 126.591 1.956 . . . . 0.0 111.798 168.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HE2' ' OXT' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -115.45 -29.86 6.4 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -174.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.54 -41.61 60.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.976 0.91 . . . . 0.0 111.628 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 102.19 22.46 9.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 127.241 2.353 . . . . 0.0 116.066 171.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -144.79 157.5 44.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.167 1.387 . . . . 0.0 110.242 -163.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.59 43.41 0.48 Allowed 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 113.407 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.66 -38.27 10.86 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.856 -0.969 . . . . 0.0 112.585 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.614 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 3.0 p-80 -170.09 -173.39 1.52 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.612 1.165 . . . . 0.0 111.853 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.67 170.45 8.13 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.199 2.999 . . . . 0.0 111.751 170.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.9 mtp -46.14 -42.93 14.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.604 1.562 . . . . 0.0 113.03 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -63.58 -25.13 68.1 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.058 1.743 . . . . 0.0 114.579 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.82 -14.3 15.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.462 1.505 . . . . 0.0 114.262 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.614 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 30.3 t -77.97 -83.3 0.08 Allowed 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 127.252 2.221 . . . . 0.0 109.284 172.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.322 1.7 t 43.27 41.7 3.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.976 1.71 . . . . 0.0 109.287 -169.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 69.2 mm-40 -100.43 17.59 21.19 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.397 -2.065 . . . . 0.0 114.797 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' OXT' ' HE2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 128.674 2.789 . . . . 0.0 115.879 172.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.374 0 CA-C-O 119.301 -0.722 . . . . 0.0 114.181 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -59.33 162.95 4.23 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.104 0.954 . . . . 0.0 110.298 170.437 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -62.44 1.4 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.342 1.057 . . . . 0.0 110.648 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -40.25 8.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.88 0.872 . . . . 0.0 112.473 -174.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -65.43 -64.8 0.78 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.743 1.217 . . . . 0.0 110.365 -174.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.509 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 94.96 48.38 2.47 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.823 1.202 . . . . 0.0 113.432 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -137.07 13.96 3.07 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 53.52 28.35 7.63 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.41 -39.79 8.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.138 -0.976 . . . . 0.0 112.444 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -159.6 -162.15 1.0 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.348 1.059 . . . . 0.0 112.162 178.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -118.95 171.94 7.89 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 127.094 2.157 . . . . 0.0 111.237 169.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.6 mtm -38.26 -44.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 128.069 2.548 . . . . 0.0 114.187 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -16.25 63.29 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.149 1.38 . . . . 0.0 114.655 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -10.34 11.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.626 1.97 . . . . 0.0 113.913 172.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.2 t -88.42 -71.21 0.6 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.905 2.082 . . . . 0.0 110.184 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 13.6 t 45.94 40.19 6.5 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.338 1.855 . . . . 0.0 113.271 -173.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.48 11.76 37.22 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 . . . . . 0 N--CA 1.487 1.417 0 C-N-CA 126.56 1.944 . . . . 0.0 114.32 -177.646 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 CA-C-O 119.206 -0.775 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 146.35 46.51 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.228 1.014 . . . . 0.0 110.15 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.775 1.63 . . . . 0.0 112.694 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -29.1 5.74 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -175.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.8 m -83.76 -45.08 13.74 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.225 1.41 . . . . 0.0 114.035 -167.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 31.59 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 125.753 1.644 . . . . 0.0 116.111 174.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -136.57 11.46 3.2 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -163.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 52.23 28.64 5.77 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.83 -46.46 13.94 Favored Glycine 0 C--N 1.337 0.605 0 O-C-N 120.772 -1.205 . . . . 0.0 111.297 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -161.89 -160.61 0.7 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.053 1.741 . . . . 0.0 110.23 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.0 175.58 5.99 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 127.271 2.229 . . . . 0.0 110.143 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -35.41 51.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.854 0.862 . . . . 0.0 112.801 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -28.48 68.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.777 1.631 . . . . 0.0 113.748 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -20.54 13.48 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.426 1.49 . . . . 0.0 112.311 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.1 t -76.34 -75.66 0.18 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.348 1.459 . . . . 0.0 109.932 174.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.8 t 42.42 42.86 2.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.614 1.565 . . . . 0.0 112.215 -171.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -100.22 -0.35 38.86 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ttp85 . . . . . 0 N--CA 1.494 1.769 0 C-N-CA 126.886 2.074 . . . . 0.0 113.407 -173.555 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.111 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.5 t -62.0 172.97 1.19 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 123.565 1.65 . . . . 0.0 112.451 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -83.16 -48.24 10.74 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 127.429 2.292 . . . . 0.0 112.525 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -118.06 -29.58 5.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.529 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.2 m -69.77 -50.49 42.66 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.438 1.095 . . . . 0.0 111.405 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 98.08 30.86 6.84 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.991 2.234 . . . . 0.0 115.476 172.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -142.94 153.75 43.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.21 2.204 . . . . 0.0 108.879 -169.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.21 47.25 0.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.604 1.547 . . . . 0.0 113.627 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.52 -34.37 8.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 120.545 -1.347 . . . . 0.0 113.993 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.3 p-80 -172.76 -167.92 0.47 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.038 1.735 . . . . 0.0 110.802 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -123.0 176.95 5.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.607 1.963 . . . . 0.0 111.367 165.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.412 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 40.4 mtm -43.41 -41.51 4.26 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.974 2.11 . . . . 0.0 113.605 -174.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -68.5 -19.15 64.51 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.612 1.565 . . . . 0.0 114.816 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.45 -22.13 12.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.241 1.016 . . . . 0.0 112.453 171.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.3 t -68.49 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.037 2.135 . . . . 0.0 110.212 174.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p 63.7 -3.32 0.43 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.467 2.307 . . . . 0.0 115.433 -164.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -83.08 21.28 1.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -151.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.512 ' C ' ' HE3' ' A' ' 5' ' ' LYS 0.292 2.6 ptm180 . . . . . 0 N--CA 1.49 1.541 1 C-N-CA 131.702 4.001 . . . . 0.0 120.32 177.958 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.463 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.536 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 9.8 t -60.1 168.99 1.69 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 123.669 1.699 . . . . 0.0 112.168 169.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -89.62 -40.78 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.332 2.253 . . . . 0.0 112.74 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -28.81 7.02 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.5 m -80.9 -57.67 3.44 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.872 0.844 . . . . 0.0 110.44 -170.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.536 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.62 19.88 5.98 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 127.14 2.305 . . . . 0.0 114.89 174.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -129.38 150.1 50.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.379 2.272 . . . . 0.0 110.177 -170.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.82 50.16 0.34 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 114.159 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.24 -46.5 4.99 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 120.679 -1.263 . . . . 0.0 113.522 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.5 p-80 -173.56 -167.37 0.38 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.777 1.631 . . . . 0.0 110.759 176.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -111.83 178.21 4.39 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 128.031 2.533 . . . . 0.0 111.395 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -30.81 71.36 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.19 -0.944 . . . . 0.0 112.541 -169.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -13.91 6.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 169.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.86 -23.83 4.95 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.529 1.131 . . . . 0.0 113.216 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.6 t -80.65 -72.3 0.42 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.713 1.205 . . . . 0.0 110.537 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.327 5.5 t 49.1 40.97 18.64 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.508 1.923 . . . . 0.0 111.857 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -104.67 10.68 34.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 -174.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 . . . . . 0 N--CA 1.487 1.41 0 C-N-CA 127.017 2.127 . . . . 0.0 114.432 -176.61 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.057 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.458 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 4.6 t -70.02 171.7 9.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.122 1.769 . . . . 0.0 111.765 167.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -81.52 -58.84 2.85 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 127.243 2.217 . . . . 0.0 111.07 169.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -106.2 -29.76 9.63 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' HG ' ' HG ' ' A' ' 3' ' ' CYS . 56.0 m -73.29 -46.43 49.71 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.756 0.707 . . . . 0.0 112.302 -169.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.456 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 105.06 17.35 14.28 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 127.062 2.268 . . . . 0.0 115.215 173.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -132.67 154.04 50.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 127.089 2.155 . . . . 0.0 109.738 -166.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -76.52 50.7 0.68 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 120.397 1.453 . . . . 0.0 112.461 169.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.18 -39.99 5.92 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.29 0.947 . . . . 0.0 113.557 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.7 p-80 -174.7 177.53 2.07 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.577 1.551 . . . . 0.0 110.499 -174.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -110.57 179.83 3.96 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.925 1.69 . . . . 0.0 110.816 168.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.2 mtp -52.65 -36.59 57.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.396 1.078 . . . . 0.0 112.063 -169.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -63.37 -17.06 62.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.464 1.906 . . . . 0.0 115.277 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.5 -2.53 9.97 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.651 1.58 . . . . 0.0 113.01 174.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 15.2 t -91.09 -75.04 0.48 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.95 1.7 . . . . 0.0 109.155 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.344 0.7 OUTLIER 51.22 18.85 0.65 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.732 2.413 . . . . 0.0 114.495 -168.267 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.51 7.99 38.61 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -162.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.486 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 12.3 ttt-85 . . . . . 0 N--CA 1.493 1.713 0 C-N-CA 128.649 2.78 . . . . 0.0 114.972 -175.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.753 0 N-CA-C 114.398 0.519 . . . . 0.0 114.398 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.449 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 9.7 t -62.98 149.55 44.55 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.788 0.804 . . . . 0.0 110.43 173.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.459 ' CG ' ' HG2' ' A' ' 13' ' ' MET . 10.6 t90 -60.29 -52.77 63.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.101 1.76 . . . . 0.0 113.791 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 -31.42 7.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.417 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 10.2 m -82.19 -38.84 24.02 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -166.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.449 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 78.17 44.52 11.44 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.066 1.317 . . . . 0.0 114.965 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 5.6 mtmp? -136.13 6.32 3.09 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -167.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 56.36 23.9 7.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.06 -37.02 13.32 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.891 -1.13 . . . . 0.0 113.724 -169.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.1 p-80 -169.25 -162.97 0.38 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.994 1.718 . . . . 0.0 110.629 174.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.12 174.27 5.95 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 125.631 1.572 . . . . 0.0 112.387 171.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.459 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 8.0 mtm -52.6 -35.91 55.23 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.957 0.903 . . . . 0.0 112.864 -175.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -63.37 -24.38 67.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.861 1.264 . . . . 0.0 113.689 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.48 -26.93 12.67 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.66 1.184 . . . . 0.0 112.794 177.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 37.4 t -74.46 -71.08 0.36 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.434 1.894 . . . . 0.0 111.448 175.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 p 56.38 13.9 1.43 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.913 2.485 . . . . 0.0 115.311 -171.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.66 15.11 2.75 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -156.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 . . . . . 0 C--O 1.258 1.54 0 C-N-CA 125.963 1.705 . . . . 0.0 112.197 -174.262 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.398 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 4.2 t -59.71 174.59 0.44 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 123.166 1.46 . . . . 0.0 112.78 170.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.97 -54.4 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.683 1.993 . . . . 0.0 111.148 167.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -26.77 8.78 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.5 m -73.57 -38.8 65.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.828 0.74 . . . . 0.0 112.542 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 88.01 30.33 17.73 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.365 1.936 . . . . 0.0 115.205 175.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -145.38 147.12 31.92 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.478 1.911 . . . . 0.0 109.434 -166.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.09 40.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.661 1.119 . . . . 0.0 113.713 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.42 -44.58 7.87 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 120.722 -1.236 . . . . 0.0 111.898 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.2 p-80 -162.37 -172.56 3.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.316 1.046 . . . . 0.0 112.63 -178.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.07 173.2 6.42 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.498 2.319 . . . . 0.0 111.801 166.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.2 mtm -46.45 -43.47 16.6 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 125.08 1.352 . . . . 0.0 112.82 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -59.08 -26.25 64.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.02 -25.34 14.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.47 0.708 . . . . 0.0 112.376 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 17.9 t -70.13 -73.57 0.16 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.916 1.687 . . . . 0.0 110.653 177.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.301 9.3 t 47.34 37.93 6.61 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.362 1.865 . . . . 0.0 114.363 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -100.97 14.2 32.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -174.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 127.561 2.344 . . . . 0.0 116.631 -178.66 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.752 0.31 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.58 -120.4 1.06 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 125.178 1.371 . . . . 0.0 111.541 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 12.0 t -59.24 179.75 0.09 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.046 1.739 . . . . 0.0 111.482 169.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.404 ' CZ2' " H3'" ' B' ' 24' ' ' ' DC' . 4.6 t90 -99.82 -48.77 4.58 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 126.494 1.917 . . . . 0.0 111.451 173.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -108.92 -22.26 12.26 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.7 m -86.72 -61.87 1.63 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.37 0.605 . . . . 0.0 110.92 -171.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.56 33.74 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.528 1.537 . . . . 0.0 114.503 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -144.45 149.93 36.81 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 110.459 -171.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.05 38.46 0.07 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.17 1.388 . . . . 0.0 114.315 175.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.26 -51.27 10.21 Favored Glycine 0 CA--C 1.528 0.856 0 O-C-N 120.458 -1.402 . . . . 0.0 112.073 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.502 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -168.7 -161.98 0.36 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.1 1.36 . . . . 0.0 111.027 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -112.85 175.41 5.45 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 129.377 3.071 . . . . 0.0 112.383 173.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.51 74.22 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 117.013 -1.47 . . . . 0.0 113.185 -168.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -14.86 62.94 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.694 1.134 . . . . 0.0 114.015 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.09 -19.81 13.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.758 1.223 . . . . 0.0 112.951 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.502 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 8.9 t -86.51 -77.06 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.933 1.693 . . . . 0.0 109.865 172.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 p 64.59 8.04 4.14 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 127.374 2.27 . . . . 0.0 114.64 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -80.23 19.86 0.72 Allowed 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -154.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.483 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 9.5 tmm_? . . . . . 0 C--O 1.26 1.638 0 C-N-CA 126.354 1.862 . . . . 0.0 112.442 -173.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.634 1 O4'-C1'-N19 113.782 7.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O4'-C4'-C3' 108.728 3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 1 O5'-C5'-C4' 116.138 4.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.055 1 O4'-C1'-N19 112.522 5.903 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.404 " H3'" ' CZ2' ' A' ' 4' ' ' TRP . . . . . . . . 1 C5'--C4' 1.549 4.773 2 O4'-C1'-N19 113.832 7.539 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.268 0 O4'-C1'-N19 110.93 3.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.678 0.275 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.47 -120.19 5.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 120.152 -1.592 . . . . 0.0 114.829 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.526 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -58.66 159.75 6.31 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 122.237 1.018 . . . . 0.0 109.359 170.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.412 ' CZ2' " H3'" ' B' ' 24' ' ' ' DC' . 6.2 t90 -77.5 -38.99 47.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 124.218 1.007 . . . . 0.0 113.006 178.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HE2' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -115.67 -34.99 4.67 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.541 1.136 . . . . 0.0 113.066 -179.416 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.503 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 6.3 m -76.43 -50.98 12.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.872 0.869 . . . . 0.0 111.808 -170.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.526 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 92.51 40.45 5.05 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 125.425 1.488 . . . . 0.0 113.867 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 7.0 mtmp? -133.92 9.72 3.88 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -166.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 54.34 27.39 7.99 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.72 -41.55 7.2 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.639 1.114 . . . . 0.0 112.645 -175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.8 p-80 -165.7 -166.92 1.01 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.958 1.303 . . . . 0.0 111.54 178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -112.38 176.68 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 127.995 2.518 . . . . 0.0 111.67 174.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.99 -36.46 77.23 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.397 1.079 . . . . 0.0 113.532 -164.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -23.32 67.38 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.083 1.353 . . . . 0.0 113.114 176.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -25.44 13.84 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.453 1.501 . . . . 0.0 113.021 176.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 53.2 t -79.16 -78.26 0.16 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.965 2.106 . . . . 0.0 109.822 176.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.303 7.7 t 41.82 45.06 3.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.126 2.171 . . . . 0.0 111.996 -169.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -97.9 21.55 10.46 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.234 2.309 . . . . 0.0 117.234 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.456 ' C ' ' HE2' ' A' ' 5' ' ' LYS . 53.7 mtt180 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 128.586 2.754 . . . . 0.0 114.157 -169.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.289 2 O4'-C1'-N19 114.854 8.817 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.118 4.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.587 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.213 1 P-O3'-C3' 127.435 6.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.587 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.731 1 O4'-C1'-N19 113.888 7.61 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.412 " H3'" ' CZ2' ' A' ' 4' ' ' TRP . . . . . . . . 1 C5'--C4' 1.55 4.903 3 O4'-C1'-N19 115.378 9.473 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.375 1 O4'-C1'-N19 113.142 6.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 111.433 0.16 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.8 -107.46 0.67 Allowed Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.516 1.532 . . . . 0.0 113.235 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 35.4 t -71.89 -179.22 2.62 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.212 1.805 . . . . 0.0 109.987 170.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -99.27 -40.77 7.77 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 127.376 2.27 . . . . 0.0 111.673 170.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HE2' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -119.34 -28.12 5.46 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -174.242 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.5 m -82.51 -51.62 7.63 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.471 1.108 . . . . 0.0 111.797 -170.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.502 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 109.72 28.03 4.4 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 126.525 2.012 . . . . 0.0 115.855 174.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -143.84 150.67 38.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.981 1.712 . . . . 0.0 111.223 -167.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -76.33 49.89 0.61 Allowed 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 120.157 1.344 . . . . 0.0 114.109 174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.13 -52.72 4.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 120.791 -1.193 . . . . 0.0 111.83 173.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.3 p-80 -170.75 -172.59 1.21 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.938 1.295 . . . . 0.0 110.595 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.44 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 128.063 2.545 . . . . 0.0 111.552 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -58.35 -34.12 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.297 1.439 . . . . 0.0 113.408 -170.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -24.22 67.65 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.878 0.871 . . . . 0.0 113.002 175.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.56 -26.73 13.12 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.598 1.159 . . . . 0.0 112.487 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.0 t -77.99 -72.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.056 1.342 . . . . 0.0 110.853 175.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p 61.0 0.15 0.36 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.266 2.227 . . . . 0.0 115.559 -168.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.73 27.52 0.73 Allowed 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -156.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.476 ' O ' ' HE2' ' A' ' 5' ' ' LYS 0.253 0.1 OUTLIER . . . . . 0 C--O 1.25 1.115 0 C-N-CA 130.631 3.573 . . . . 0.0 119.11 178.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 1 O4'-C1'-N19 113.285 6.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 1 O5'-C5'-C4' 115.963 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.414 ' C2 ' ' HB3' ' A' ' 19' ' ' ARG . . . . . . . . 1 C5'--C4' 1.55 4.912 0 O5'-C5'-C4' 113.725 2.518 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.187 2 O4'-C1'-N19 114.37 8.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.512 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.534 2 O4'-C1'-N19 116.218 10.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . 0.512 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.14 1 O4'-C1'-N19 112.81 6.263 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 119.012 -0.518 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.71 -129.33 4.09 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.94 1.257 . . . . 0.0 114.3 175.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -53.52 154.02 3.83 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.37 1.081 . . . . 0.0 110.434 173.375 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -61.77 -52.93 62.19 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 124.256 1.022 . . . . 0.0 112.487 175.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.96 -33.41 6.72 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.721 1.209 . . . . 0.0 113.265 -176.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -73.33 -68.75 0.47 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.999 0.919 . . . . 0.0 109.736 -171.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 112.71 33.88 1.98 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 124.816 1.198 . . . . 0.0 116.021 175.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -129.42 9.3 5.56 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -168.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 57.37 20.21 5.73 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.89 -34.7 52.34 Favored Glycine 0 CA--C 1.525 0.704 0 O-C-N 121.132 -0.98 . . . . 0.0 112.4 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -164.71 -160.18 0.5 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.376 1.47 . . . . 0.0 111.367 172.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.12 175.73 5.79 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.696 2.798 . . . . 0.0 112.924 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 mtm -52.97 -39.77 63.24 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -170.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -24.08 67.69 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.04 -11.93 15.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.744 1.218 . . . . 0.0 113.288 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.491 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 34.1 t -84.5 -72.95 0.45 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.161 1.785 . . . . 0.0 110.064 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 p 56.46 19.6 4.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.596 1.558 . . . . 0.0 113.717 -175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -85.77 -0.41 55.17 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -163.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm-85 . . . . . 0 C--O 1.266 1.936 0 C-N-CA 126.934 2.093 . . . . 0.0 111.96 -167.371 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.476 1 O4'-C1'-N19 112.217 5.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 1 O4'-C1'-N19 112.286 5.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.528 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.415 -2.847 2 P-O3'-C3' 126.247 5.456 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.528 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.422 -2.215 1 O4'-C1'-N19 115.501 9.627 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.341 2 O4'-C1'-N19 119.246 14.307 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.006 1 O4'-C1'-N19 112.669 6.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.12 -137.9 14.56 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.174 1.368 . . . . 0.0 113.044 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -54.55 142.59 27.22 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.923 0.889 . . . . 0.0 110.564 174.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -54.63 -50.6 67.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.76 1.624 . . . . 0.0 113.355 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.91 -22.36 11.9 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 3.5 m -93.87 -39.41 10.71 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.999 0.92 . . . . 0.0 112.707 -168.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 82.89 39.14 10.57 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.417 1.008 . . . . 0.0 115.231 173.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 5.6 mtmp? -136.35 9.5 3.19 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -165.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 54.23 25.39 5.75 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.12 -39.64 15.69 Favored Glycine 0 CA--C 1.525 0.713 0 O-C-N 120.368 -1.458 . . . . 0.0 112.647 -174.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -169.17 -165.98 0.58 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.106 1.362 . . . . 0.0 111.861 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' H ' ' A' ' 13' ' ' MET . 2.9 tp-100 -112.67 177.7 4.54 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.168 1.787 . . . . 0.0 112.18 172.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.435 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -57.85 -32.95 68.15 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.621 1.169 . . . . 0.0 113.744 -164.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -67.13 -23.04 65.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.873 1.669 . . . . 0.0 113.987 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.45 -20.75 15.0 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.004 1.322 . . . . 0.0 112.313 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 47.3 t -85.04 -68.1 0.75 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.599 1.96 . . . . 0.0 112.848 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p 53.38 18.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 127.749 2.42 . . . . 0.0 115.125 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -82.69 2.93 31.23 Favored 'General case' 0 CA--C 1.558 1.286 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -161.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.455 ' HB2' ' C6 ' ' B' ' 22' ' ' ' DC' . 27.3 ttp180 . . . . . 0 N--CA 1.493 1.72 0 C-N-CA 127.081 2.153 . . . . 0.0 113.225 -168.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 2 O4'-C1'-N19 112.751 6.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.85 1 O4'-C1'-N19 111.087 4.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.455 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 1 C5'--C4' 1.543 4.006 2 O4'-C1'-N19 111.853 5.067 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.415 1 O4'-C1'-N19 113.967 7.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.467 1 O4'-C1'-N19 119.635 14.794 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.749 2 O4'-C1'-N19 113.072 6.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.46 -118.54 0.65 Allowed Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.218 1.39 . . . . 0.0 113.226 -171.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.54 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.1 t -62.91 153.41 33.53 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.945 1.373 . . . . 0.0 110.415 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -58.07 6.85 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.841 0.856 . . . . 0.0 111.114 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 -23.52 11.15 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.653 1.181 . . . . 0.0 114.013 -171.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.61 -54.09 6.22 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.035 0.934 . . . . 0.0 112.193 -172.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.54 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 99.37 30.27 6.67 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.821 2.153 . . . . 0.0 115.779 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -129.39 11.29 5.83 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 -162.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 53.64 29.33 9.16 Favored 'General case' 0 N--CA 1.483 1.175 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.68 -36.43 7.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 120.952 -1.093 . . . . 0.0 113.941 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.445 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.7 p-80 -166.28 -165.48 0.78 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.843 1.657 . . . . 0.0 109.918 177.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -117.56 176.45 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.625 1.97 . . . . 0.0 110.921 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.1 mtm -49.55 -38.88 32.75 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.078 1.351 . . . . 0.0 113.693 -174.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -17.76 60.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.969 1.708 . . . . 0.0 114.35 178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.31 -22.33 10.96 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.395 1.478 . . . . 0.0 113.767 172.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 16.2 t -77.82 -68.55 0.62 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.763 1.625 . . . . 0.0 110.409 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.5 t 39.94 42.29 1.04 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.66 1.984 . . . . 0.0 113.418 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.61 15.82 26.85 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -174.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 127.953 2.501 . . . . 0.0 116.058 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 1 O4'-C1'-N19 114.015 7.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 1 O4'-C4'-C3' 109.726 4.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.51 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.796 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.51 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.741 1 O4'-C1'-N19 115.079 9.098 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 3 O4'-C1'-N19 116.427 10.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.314 4.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 119.74 -0.171 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.408 ' HA3' ' H ' ' A' ' 9' ' ' GLU . . . 131.02 -129.96 5.92 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 123.841 0.734 . . . . 0.0 113.616 -175.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.452 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -59.05 151.93 21.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.11 0.564 . . . . 0.0 110.995 174.141 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.476 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 1.1 t90 -61.24 -50.49 72.87 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.482 1.113 . . . . 0.0 113.208 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -39.53 6.38 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.13 0.972 . . . . 0.0 112.594 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.2 m -70.67 -52.59 20.14 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.077 1.351 . . . . 0.0 113.054 -168.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 91.17 43.26 4.73 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.662 1.125 . . . . 0.0 114.501 176.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -138.42 9.14 2.68 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 -167.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' H ' ' HA3' ' A' ' 2' ' ' GLY . 17.2 mt-10 53.44 37.2 25.04 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.57 -46.16 5.28 Favored Glycine 0 C--N 1.338 0.685 0 O-C-N 121.48 -0.763 . . . . 0.0 113.255 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -165.26 -168.04 1.3 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.968 1.707 . . . . 0.0 111.25 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -109.62 176.69 4.98 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.525 2.33 . . . . 0.0 111.156 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -59.49 -36.04 75.26 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.049 -167.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -59.53 -13.96 11.11 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.787 1.635 . . . . 0.0 114.906 173.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.62 -8.64 9.01 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 42.0 t -85.74 -71.25 0.54 Allowed 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.935 1.694 . . . . 0.0 109.853 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.369 0.6 OUTLIER 55.39 12.46 0.74 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 127.935 2.494 . . . . 0.0 115.003 -173.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -83.41 -1.86 54.46 Favored 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.69 2.478 . . . . 0.0 117.69 -161.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HB2' ' C6 ' ' B' ' 22' ' ' ' DC' . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 C-N-CA 126.421 1.888 . . . . 0.0 114.149 -175.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.218 1 O4'-C1'-N19 115.564 9.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 1 O4'-C4'-C3' 109.681 4.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.436 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -3.012 2 O4'-C1'-N19 112.437 5.796 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.476 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 O4'--C4' 1.414 -2.868 1 O4'-C1'-N19 115.046 9.058 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.469 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.646 1 O4'-C1'-N19 117.192 11.74 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . 0.469 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.489 0 C4'-C3'-C2' 99.942 -3.258 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.93 -127.34 7.38 Favored Glycine 0 CA--C 1.527 0.792 0 C-N-CA 125.487 1.518 . . . . 0.0 112.771 -171.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -58.79 146.14 38.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 122.875 0.47 . . . . 0.0 110.995 176.584 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -50.93 -56.09 14.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 113.018 165.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.39 -36.02 6.11 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.0 m -71.29 -57.9 4.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.498 0.666 . . . . 0.0 110.906 -172.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.518 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 104.94 23.4 7.79 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.634 2.064 . . . . 0.0 115.685 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -125.42 4.37 7.67 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 -162.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 60.24 29.13 18.75 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.3 -45.7 7.33 Favored Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.527 -0.733 . . . . 0.0 111.704 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -159.03 -171.32 3.34 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -102.27 168.48 9.32 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 129.473 3.109 . . . . 0.0 112.482 170.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.6 mtp -49.06 -38.64 24.81 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.218 1.807 . . . . 0.0 113.513 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.01 -19.26 63.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.888 1.675 . . . . 0.0 114.604 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.96 -22.23 13.5 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 125.347 1.459 . . . . 0.0 112.975 172.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 7.7 t -78.44 -75.22 0.24 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.154 2.181 . . . . 0.0 110.537 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p 54.38 17.65 1.63 Allowed 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 126.53 1.932 . . . . 0.0 112.771 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.03 4.97 53.09 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -161.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.374 2.4 ptt180 . . . . . 0 N--CA 1.486 1.37 0 C-N-CA 129.572 3.149 . . . . 0.0 116.566 -176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.555 0 O4'-C1'-N19 110.625 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 2 P-O3'-C3' 126.085 5.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.411 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.812 1 O5'-C5'-C4' 116.033 4.166 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.411 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.837 1 O4'-C1'-N19 113.963 7.704 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.474 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.185 2 O4'-C1'-N19 117.099 11.623 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . 0.474 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.629 1 O4'-C1'-N19 112.307 5.634 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.85 -129.82 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.737 1.637 . . . . 0.0 111.398 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.483 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.6 t -54.8 165.62 0.6 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.412 1.485 . . . . 0.0 112.94 171.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.408 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 0.7 OUTLIER -80.76 -37.3 30.63 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 126.735 2.014 . . . . 0.0 112.895 171.515 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -35.57 2.91 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -173.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.0 m -70.7 -55.2 9.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.977 0.911 . . . . 0.0 109.812 -171.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.483 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 110.2 24.24 5.77 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.604 2.05 . . . . 0.0 114.914 172.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -136.5 151.1 49.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.878 2.071 . . . . 0.0 108.956 -169.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -74.92 49.64 0.43 Allowed 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.179 1.354 . . . . 0.0 113.103 171.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.4 -41.1 6.23 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 120.814 -1.179 . . . . 0.0 112.84 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.593 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -168.62 -175.62 2.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.249 1.42 . . . . 0.0 111.552 -174.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -125.83 175.55 7.57 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.529 2.732 . . . . 0.0 110.669 171.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -55.5 -33.55 63.82 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.652 1.181 . . . . 0.0 114.142 -158.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -63.84 -35.87 82.04 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.149 1.379 . . . . 0.0 113.18 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 -22.69 20.7 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.233 0.613 . . . . 0.0 112.581 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.593 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.0 t -77.76 -78.22 0.14 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.681 1.992 . . . . 0.0 110.906 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 1.5 p 58.64 16.28 4.23 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 129.261 3.025 . . . . 0.0 115.564 -167.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -89.74 14.25 12.27 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 -158.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HG3' ' C6 ' ' B' ' 24' ' ' ' DC' . 6.4 ttp180 . . . . . 0 C--O 1.255 1.382 0 C-N-CA 128.213 2.605 . . . . 0.0 115.683 -173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.088 1 O4'-C1'-N19 112.436 5.795 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.664 1 C4'-C3'-C2' 99.147 -4.053 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 1 O4'-C1'-N19 111.266 4.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.408 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.54 3.576 2 O4'-C1'-N19 114.313 8.141 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.418 ' C6 ' ' HG3' ' A' ' 19' ' ' ARG . . . . . . . . 1 C5'--C4' 1.556 5.57 3 O4'-C1'-N19 111.352 4.44 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 O4'-C1'-N19 118.335 13.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.2 pttp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.34 -121.75 8.36 Favored Glycine 0 CA--C 1.536 1.379 0 O-C-N 121.385 -0.822 . . . . 0.0 111.814 -174.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.3 t -65.34 175.4 1.72 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 124.295 1.998 . . . . 0.0 111.45 167.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -93.47 -57.67 2.52 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 128.451 2.7 . . . . 0.0 111.26 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 -30.59 12.84 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.1 m -76.26 -53.98 7.44 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 121.844 0.831 . . . . 0.0 110.709 -172.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.523 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 97.53 34.73 5.43 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 127.212 2.339 . . . . 0.0 115.41 176.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -147.62 155.67 42.03 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.019 1.728 . . . . 0.0 108.94 -169.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -76.77 50.86 0.73 Allowed 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 119.77 1.168 . . . . 0.0 114.017 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.68 5.79 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 120.532 -1.355 . . . . 0.0 112.801 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.9 p-80 -169.82 -168.15 0.74 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.654 1.182 . . . . 0.0 111.166 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -119.92 174.35 6.51 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 128.282 2.633 . . . . 0.0 111.084 169.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mtp -52.55 -38.7 60.33 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.186 1.394 . . . . 0.0 113.379 -170.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -20.79 66.09 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.561 1.544 . . . . 0.0 114.265 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.01 -27.52 12.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.135 0.974 . . . . 0.0 111.769 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 9.9 t -73.64 -74.77 0.17 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.353 1.461 . . . . 0.0 110.869 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.314 0.6 OUTLIER 57.82 1.88 0.15 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 129.728 3.211 . . . . 0.0 116.601 -170.097 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -80.46 12.0 3.31 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 117.313 2.338 . . . . 0.0 117.313 -158.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HB2' ' C6 ' ' B' ' 22' ' ' ' DC' . 14.0 ttt180 . . . . . 0 N--CA 1.488 1.426 0 C-N-CA 128.179 2.592 . . . . 0.0 115.037 -174.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.669 0 O4'-C1'-N19 110.494 3.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.207 1 P-O3'-C3' 126.532 5.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.406 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 3.848 0 N19-C1'-C2' 119.639 3.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.746 2 O4'-C1'-N19 113.492 7.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.46 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.427 2 O4'-C1'-N19 116.443 10.804 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . 0.46 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.416 -2.75 1 O4'-C1'-N19 116.05 10.313 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -125.68 -123.05 2.65 Favored Glycine 0 N--CA 1.467 0.735 0 C-N-CA 124.001 0.81 . . . . 0.0 113.52 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.466 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -61.59 153.92 26.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.775 0.798 . . . . 0.0 110.622 172.036 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 1.6 t90 -66.28 -45.79 79.24 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 125.747 1.619 . . . . 0.0 113.9 177.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -112.55 -28.67 7.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.671 1.188 . . . . 0.0 113.803 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 m -81.57 -59.0 2.77 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.268 1.427 . . . . 0.0 112.29 -172.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 95.47 40.53 4.17 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.513 1.054 . . . . 0.0 114.97 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -132.07 12.67 4.71 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -170.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 53.96 20.19 2.31 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.69 -38.93 30.64 Favored Glycine 0 C--N 1.338 0.646 0 O-C-N 120.838 -1.164 . . . . 0.0 112.31 -171.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -166.54 -173.25 2.42 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.248 1.019 . . . . 0.0 112.871 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -100.94 167.83 10.01 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.352 1.861 . . . . 0.0 111.938 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -40.52 68.34 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -20.21 5.94 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 129.053 2.941 . . . . 0.0 115.487 173.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.48 -21.89 10.1 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.057 2.143 . . . . 0.0 111.503 -177.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 43.2 t -79.84 -74.11 0.32 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.02 1.728 . . . . 0.0 110.459 174.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.4 t 44.55 34.87 1.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.854 2.061 . . . . 0.0 112.222 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 3.6 mt-10 -99.53 19.58 15.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 119.484 -2.01 . . . . 0.0 115.84 -175.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.522 ' C ' ' HE3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 129.535 3.134 . . . . 0.0 116.294 175.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.239 1 O4'-C1'-N19 113.86 7.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 0 O4'-C4'-C3' 108.864 3.264 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.237 1 O4'-C1'-C2' 100.969 -4.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.436 " H1'" ' CZ3' ' A' ' 4' ' ' TRP . . . . . . . . 0 C5'--C4' 1.534 2.814 1 O4'-C1'-N19 114.131 7.914 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.452 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.55 4.904 2 O4'-C1'-N19 116.927 11.409 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . 0.452 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.425 1 O4'-C1'-N19 111.603 4.753 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 119.128 -0.463 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.33 -122.23 1.86 Allowed Glycine 0 CA--C 1.534 1.263 0 CA-C-N 119.441 1.019 . . . . 0.0 111.883 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.496 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 7.7 t -64.56 171.81 3.04 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.915 1.686 . . . . 0.0 110.924 167.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -84.77 -48.94 8.9 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 126.591 1.956 . . . . 0.0 111.798 168.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HE2' ' OXT' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -115.45 -29.86 6.4 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -174.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.54 -41.61 60.31 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.976 0.91 . . . . 0.0 111.628 -173.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 102.19 22.46 9.88 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 127.241 2.353 . . . . 0.0 116.066 171.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -144.79 157.5 44.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.167 1.387 . . . . 0.0 110.242 -163.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -78.59 43.41 0.48 Allowed 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.495 1.498 . . . . 0.0 113.407 174.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.66 -38.27 10.86 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.856 -0.969 . . . . 0.0 112.585 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.614 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 3.0 p-80 -170.09 -173.39 1.52 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.612 1.165 . . . . 0.0 111.853 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.67 170.45 8.13 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 129.199 2.999 . . . . 0.0 111.751 170.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.9 mtp -46.14 -42.93 14.51 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.604 1.562 . . . . 0.0 113.03 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -63.58 -25.13 68.1 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 126.058 1.743 . . . . 0.0 114.579 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -105.82 -14.3 15.27 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.462 1.505 . . . . 0.0 114.262 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.614 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 30.3 t -77.97 -83.3 0.08 Allowed 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 127.252 2.221 . . . . 0.0 109.284 172.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.322 1.7 t 43.27 41.7 3.16 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.976 1.71 . . . . 0.0 109.287 -169.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 69.2 mm-40 -100.43 17.59 21.19 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 119.397 -2.065 . . . . 0.0 114.797 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' OXT' ' HE2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.263 1.801 0 C-N-CA 128.674 2.789 . . . . 0.0 115.879 172.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 2 O4'-C1'-N19 116.12 10.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.573 1 O4'-C4'-C3' 110.461 4.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.427 ' C2 ' ' HB3' ' A' ' 19' ' ' ARG . . . . . . . . 1 C5'--C4' 1.552 5.087 1 O4'-C1'-N19 111.296 4.37 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 2 O4'-C1'-N19 114.781 8.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.602 2 O4'-C1'-N19 118.934 13.917 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.732 1 O4'-C1'-N19 113.445 7.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.0 pttt . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 111.452 0.167 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.03 -119.67 5.01 Favored Glycine 0 CA--C 1.536 1.374 0 O-C-N 121.352 -0.843 . . . . 0.0 114.181 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.509 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -59.33 162.95 4.23 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.104 0.954 . . . . 0.0 110.298 170.437 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -62.44 1.4 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.342 1.057 . . . . 0.0 110.648 173.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -40.25 8.34 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.88 0.872 . . . . 0.0 112.473 -174.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 m -65.43 -64.8 0.78 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.743 1.217 . . . . 0.0 110.365 -174.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.509 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 94.96 48.38 2.47 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.823 1.202 . . . . 0.0 113.432 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -137.07 13.96 3.07 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 53.52 28.35 7.63 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.41 -39.79 8.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 121.138 -0.976 . . . . 0.0 112.444 -177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.1 p-80 -159.6 -162.15 1.0 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.348 1.059 . . . . 0.0 112.162 178.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -118.95 171.94 7.89 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 127.094 2.157 . . . . 0.0 111.237 169.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.6 mtm -38.26 -44.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 128.069 2.548 . . . . 0.0 114.187 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.14 -16.25 63.29 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.149 1.38 . . . . 0.0 114.655 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -10.34 11.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.626 1.97 . . . . 0.0 113.913 172.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.2 t -88.42 -71.21 0.6 Allowed 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.905 2.082 . . . . 0.0 110.184 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.289 13.6 t 45.94 40.19 6.5 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.338 1.855 . . . . 0.0 113.271 -173.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -98.48 11.76 37.22 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 . . . . . 0 N--CA 1.487 1.417 0 C-N-CA 126.56 1.944 . . . . 0.0 114.32 -177.646 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 2 O4'-C1'-N19 113.765 7.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.968 1 O4'-C1'-N19 112.456 5.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.542 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.491 2 P-O3'-C3' 125.255 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.542 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.609 1 O4'-C1'-N19 115.267 9.334 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.096 2 O4'-C1'-N19 116.22 10.525 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.546 2 O4'-C1'-N19 114.315 8.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.02 -123.23 0.7 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.888 1.232 . . . . 0.0 112.794 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.8 146.35 46.51 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 118.228 1.014 . . . . 0.0 110.15 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -63.0 -43.24 99.33 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.775 1.63 . . . . 0.0 112.694 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -29.1 5.74 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -175.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.8 m -83.76 -45.08 13.74 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.225 1.41 . . . . 0.0 114.035 -167.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 31.59 6.95 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 125.753 1.644 . . . . 0.0 116.111 174.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -136.57 11.46 3.2 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -163.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 52.23 28.64 5.77 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.83 -46.46 13.94 Favored Glycine 0 C--N 1.337 0.605 0 O-C-N 120.772 -1.205 . . . . 0.0 111.297 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.0 p-80 -161.89 -160.61 0.7 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.053 1.741 . . . . 0.0 110.23 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.0 175.58 5.99 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 127.271 2.229 . . . . 0.0 110.143 173.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -35.41 51.67 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.854 0.862 . . . . 0.0 112.801 -166.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -28.48 68.49 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 125.777 1.631 . . . . 0.0 113.748 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -20.54 13.48 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.426 1.49 . . . . 0.0 112.311 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 25.1 t -76.34 -75.66 0.18 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.348 1.459 . . . . 0.0 109.932 174.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.312 9.8 t 42.42 42.86 2.85 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.614 1.565 . . . . 0.0 112.215 -171.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -100.22 -0.35 38.86 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ttp85 . . . . . 0 N--CA 1.494 1.769 0 C-N-CA 126.886 2.074 . . . . 0.0 113.407 -173.555 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.768 2 O4'-C1'-N19 113.485 7.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 0 O4'-C1'-N19 110.169 2.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.445 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.544 4.151 2 O4'-C1'-N19 111.757 4.947 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.445 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.516 1 O4'-C1'-N19 114.842 8.803 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.455 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.541 3.712 2 O4'-C1'-N19 117.067 11.584 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . 0.455 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 112.923 6.404 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.9 tttt . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.23 -128.64 8.47 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 125.994 1.759 . . . . 0.0 111.299 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 5.5 t -62.0 172.97 1.19 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 123.565 1.65 . . . . 0.0 112.451 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.422 ' CZ3' " H1'" ' B' ' 23' ' ' ' DG' . 3.4 t90 -83.16 -48.24 10.74 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 127.429 2.292 . . . . 0.0 112.525 175.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HE3' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -118.06 -29.58 5.57 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -177.529 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.2 m -69.77 -50.49 42.66 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.438 1.095 . . . . 0.0 111.405 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 98.08 30.86 6.84 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.991 2.234 . . . . 0.0 115.476 172.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -142.94 153.75 43.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 127.21 2.204 . . . . 0.0 108.879 -169.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.21 47.25 0.54 Allowed 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 120.604 1.547 . . . . 0.0 113.627 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.52 -34.37 8.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 120.545 -1.347 . . . . 0.0 113.993 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.3 p-80 -172.76 -167.92 0.47 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.038 1.735 . . . . 0.0 110.802 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -123.0 176.95 5.73 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 126.607 1.963 . . . . 0.0 111.367 165.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.412 ' H ' ' HG3' ' A' ' 12' ' ' GLN . 40.4 mtm -43.41 -41.51 4.26 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.974 2.11 . . . . 0.0 113.605 -174.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -68.5 -19.15 64.51 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 125.612 1.565 . . . . 0.0 114.816 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.45 -22.13 12.16 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.241 1.016 . . . . 0.0 112.453 171.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.581 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 14.3 t -68.49 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.037 2.135 . . . . 0.0 110.212 174.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.423 HG22 ' C5 ' ' B' ' 23' ' ' ' DG' . 10.5 p 63.7 -3.32 0.43 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.467 2.307 . . . . 0.0 115.433 -164.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -83.08 21.28 1.09 Allowed 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 117.041 2.237 . . . . 0.0 117.041 -151.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' C ' ' HE3' ' A' ' 5' ' ' LYS 0.292 2.6 ptm180 . . . . . 0 N--CA 1.49 1.541 1 C-N-CA 131.702 4.001 . . . . 0.0 120.32 177.958 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.375 1 O4'-C1'-N19 112.907 6.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 1 O4'-C1'-N19 113.452 7.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.195 2 P-O3'-C3' 126.653 5.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.423 ' C5 ' HG22 ' A' ' 17' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.581 1 O4'-C1'-N19 113.417 7.021 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.507 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.546 4.408 2 O4'-C1'-N19 116.238 10.548 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . 0.507 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.447 0 C4'-C3'-C2' 100.34 -2.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt . . . . . 0 N--CA 1.486 1.356 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.63 -121.64 0.64 Allowed Glycine 0 CA--C 1.537 1.463 0 C-N-CA 126.665 2.079 . . . . 0.0 109.657 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.536 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 9.8 t -60.1 168.99 1.69 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 123.669 1.699 . . . . 0.0 112.168 169.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -89.62 -40.78 12.37 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.332 2.253 . . . . 0.0 112.74 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -28.81 7.02 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 27.5 m -80.9 -57.67 3.44 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.872 0.844 . . . . 0.0 110.44 -170.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.536 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 114.62 19.88 5.98 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 127.14 2.305 . . . . 0.0 114.89 174.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -129.38 150.1 50.88 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.379 2.272 . . . . 0.0 110.177 -170.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.82 50.16 0.34 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 114.159 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.24 -46.5 4.99 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 120.679 -1.263 . . . . 0.0 113.522 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.5 p-80 -173.56 -167.37 0.38 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.777 1.631 . . . . 0.0 110.759 176.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -111.83 178.21 4.39 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 128.031 2.533 . . . . 0.0 111.395 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -30.81 71.36 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.19 -0.944 . . . . 0.0 112.541 -169.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -13.91 6.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 169.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.86 -23.83 4.95 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.529 1.131 . . . . 0.0 113.216 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 10.6 t -80.65 -72.3 0.42 Allowed 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.713 1.205 . . . . 0.0 110.537 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.327 5.5 t 49.1 40.97 18.64 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.508 1.923 . . . . 0.0 111.857 -178.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -104.67 10.68 34.7 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 -174.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 . . . . . 0 N--CA 1.487 1.41 0 C-N-CA 127.017 2.127 . . . . 0.0 114.432 -176.61 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.122 2 O4'-C1'-N19 114.702 8.627 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.95 1 O4'-C1'-N19 112.919 6.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 4 P-O3'-C3' 125.605 4.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.837 2 P-O3'-C3' 128.765 7.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.5 " H3'" " H3'" ' B' ' 25' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.151 1 O4'-C1'-N19 116.13 10.413 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . 0.5 " H3'" " H3'" ' B' ' 24' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.181 1 O4'-C1'-N19 112.43 5.787 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.6 -112.39 0.95 Allowed Glycine 0 N--CA 1.472 1.057 0 C-N-CA 124.702 1.144 . . . . 0.0 111.258 -177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 4.6 t -70.02 171.7 9.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.122 1.769 . . . . 0.0 111.765 167.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -81.52 -58.84 2.85 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 127.243 2.217 . . . . 0.0 111.07 169.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -106.2 -29.76 9.63 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -176.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -73.29 -46.43 49.71 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.756 0.707 . . . . 0.0 112.302 -169.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 105.06 17.35 14.28 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 127.062 2.268 . . . . 0.0 115.215 173.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -132.67 154.04 50.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 127.089 2.155 . . . . 0.0 109.738 -166.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -76.52 50.7 0.68 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 120.397 1.453 . . . . 0.0 112.461 169.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.18 -39.99 5.92 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.29 0.947 . . . . 0.0 113.557 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.7 p-80 -174.7 177.53 2.07 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.577 1.551 . . . . 0.0 110.499 -174.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -110.57 179.83 3.96 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.925 1.69 . . . . 0.0 110.816 168.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 5.2 mtp -52.65 -36.59 57.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.396 1.078 . . . . 0.0 112.063 -169.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm -63.37 -17.06 62.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.464 1.906 . . . . 0.0 115.277 177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.5 -2.53 9.97 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.651 1.58 . . . . 0.0 113.01 174.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.585 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 15.2 t -91.09 -75.04 0.48 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.95 1.7 . . . . 0.0 109.155 174.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.344 0.7 OUTLIER 51.22 18.85 0.65 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.732 2.413 . . . . 0.0 114.495 -168.267 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.51 7.99 38.61 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -162.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.486 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 12.3 ttt-85 . . . . . 0 N--CA 1.493 1.713 0 C-N-CA 128.649 2.78 . . . . 0.0 114.972 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.023 2 O4'-C1'-N19 113.507 7.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.228 1 O4'-C1'-N19 112.907 6.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.471 ' C6 ' ' HB2' ' A' ' 19' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.761 2 O4'-C1'-N19 112.362 5.703 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.987 2 O4'-C1'-N19 115.652 9.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.533 2 O4'-C1'-N19 115.435 9.543 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.344 1 O4'-C1'-N19 111.676 4.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 121.29 0.567 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 119.62 -117.74 3.7 Favored Glycine 0 N--CA 1.467 0.753 0 O-C-N 120.633 -1.292 . . . . 0.0 114.398 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.449 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 9.7 t -62.98 149.55 44.55 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.788 0.804 . . . . 0.0 110.43 173.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.459 ' CG ' ' HG2' ' A' ' 13' ' ' MET . 10.6 t90 -60.29 -52.77 63.87 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.101 1.76 . . . . 0.0 113.791 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 -31.42 7.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.417 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 10.2 m -82.19 -38.84 24.02 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -166.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 78.17 44.52 11.44 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.066 1.317 . . . . 0.0 114.965 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HE3' ' HB3' ' A' ' 6' ' ' CYS . 5.6 mtmp? -136.13 6.32 3.09 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -167.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 56.36 23.9 7.8 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.06 -37.02 13.32 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.891 -1.13 . . . . 0.0 113.724 -169.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 1.1 p-80 -169.25 -162.97 0.38 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.994 1.718 . . . . 0.0 110.629 174.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.12 174.27 5.95 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 125.631 1.572 . . . . 0.0 112.387 171.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.459 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 8.0 mtm -52.6 -35.91 55.23 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.957 0.903 . . . . 0.0 112.864 -175.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -63.37 -24.38 67.82 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.861 1.264 . . . . 0.0 113.689 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.48 -26.93 12.67 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.66 1.184 . . . . 0.0 112.794 177.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 37.4 t -74.46 -71.08 0.36 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.434 1.894 . . . . 0.0 111.448 175.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.5 p 56.38 13.9 1.43 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.913 2.485 . . . . 0.0 115.311 -171.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.66 15.11 2.75 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 118.452 2.76 . . . . 0.0 118.452 -156.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 . . . . . 0 C--O 1.258 1.54 0 C-N-CA 125.963 1.705 . . . . 0.0 112.197 -174.262 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 1 O4'-C1'-N19 113.531 7.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.712 0 O4'-C1'-N19 110.071 2.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.436 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.086 1 P-O3'-C3' 126.006 5.255 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.436 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.31 1 O4'-C1'-N19 113.411 7.014 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . 0.406 " H3'" ' CZ2' ' A' ' 4' ' ' TRP . . . . . . . . 1 C5'--C4' 1.549 4.756 4 O4'-C1'-N19 115.088 9.111 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.932 1 O4'-C1'-N19 111.897 5.121 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.91 -128.36 1.04 Allowed Glycine 0 CA--C 1.536 1.398 0 CA-C-N 120.027 1.285 . . . . 0.0 112.132 172.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 4.2 t -59.71 174.59 0.44 Allowed 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 123.166 1.46 . . . . 0.0 112.78 170.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -82.97 -54.4 5.1 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.683 1.993 . . . . 0.0 111.148 167.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.82 -26.77 8.78 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -174.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.5 m -73.57 -38.8 65.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.828 0.74 . . . . 0.0 112.542 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 3' ' ' CYS . . . 88.01 30.33 17.73 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.365 1.936 . . . . 0.0 115.205 175.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -145.38 147.12 31.92 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.478 1.911 . . . . 0.0 109.434 -166.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -73.09 40.9 0.1 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.661 1.119 . . . . 0.0 113.713 171.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.42 -44.58 7.87 Favored Glycine 0 CA--C 1.526 0.742 0 O-C-N 120.722 -1.236 . . . . 0.0 111.898 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 16' ' ' CYS . 2.2 p-80 -162.37 -172.56 3.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.316 1.046 . . . . 0.0 112.63 -178.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.07 173.2 6.42 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 127.498 2.319 . . . . 0.0 111.801 166.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.2 mtm -46.45 -43.47 16.6 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 125.08 1.352 . . . . 0.0 112.82 -178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -59.08 -26.25 64.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.02 -25.34 14.09 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.47 0.708 . . . . 0.0 112.376 174.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 17.9 t -70.13 -73.57 0.16 Allowed 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.916 1.687 . . . . 0.0 110.653 177.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . 0.301 9.3 t 47.34 37.93 6.61 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.362 1.865 . . . . 0.0 114.363 -173.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -100.97 14.2 32.69 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 -174.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 . . . . . 0 N--CA 1.499 2.013 0 C-N-CA 127.561 2.344 . . . . 0.0 116.631 -178.66 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 1 O4'-C1'-N19 111.47 4.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.55 1 O4'-C1'-N19 111.106 4.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ' DC' . . . . . 0.476 " H3'" ' H21' ' B' ' 23' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.542 2 P-O3'-C3' 126.048 5.29 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ' DG' . . . . . 0.476 ' H21' " H3'" ' B' ' 22' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.332 1 O4'-C1'-N19 114.775 8.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.06 2 O4'-C1'-N19 117.054 11.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 1 O4'-C1'-N19 113.071 6.589 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_