data_2exf_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 2exf _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 ' 13' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 111.65 1.9 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.606 0.762 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.34 127.33 30.83 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.09 0.956 . . . . 0.0 110.182 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.38 -45.6 90.37 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.93 0.786 . . . . 0.0 110.906 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.89 -56.9 15.63 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.835 1.254 . . . . 0.0 111.849 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.93 -29.94 9.65 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -47.04 1.08 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.388 0.994 . . . . 0.0 111.029 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -55.68 141.55 37.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.971 0.908 . . . . 0.0 113.003 -174.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -78.72 177.56 8.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 126.231 1.812 . . . . 0.0 111.856 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.05 88.14 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.716 1.151 . . . . 0.0 113.903 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -167.92 167.54 12.76 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.196 0.998 . . . . 0.0 109.464 -175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.9 p -115.39 175.1 5.66 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.46 49.17 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 126.294 1.838 . . . . 0.0 112.162 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -61.55 -45.08 95.69 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.518 0.727 . . . . 0.0 111.943 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -65.92 -39.98 91.03 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.92 0.488 . . . . 0.0 112.054 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -40.91 118.98 1.06 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.753 2.021 . . . . 0.0 113.069 -174.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.46 66.87 6.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.93 149.46 7.98 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 125.827 1.651 . . . . 0.0 107.837 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.08 132.74 35.41 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.481 2.121 . . . . 0.0 109.216 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -89.69 171.28 9.77 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.349 0.66 . . . . 0.0 111.301 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -89.21 147.98 23.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.13 1.372 . . . . 0.0 110.156 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -89.54 -58.6 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.829 1.252 . . . . 0.0 108.078 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.28 -164.14 10.55 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 124.713 1.149 . . . . 0.0 113.616 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.0 127.14 30.11 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.716 1.206 . . . . 0.0 110.44 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.1 m0 -69.37 -56.2 8.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.749 0.419 . . . . 0.0 110.037 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.57 -68.24 0.42 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.229 0.612 . . . . 0.0 111.451 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -28.46 67.74 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -175.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 -45.17 1.36 Allowed Glycine 0 C--N 1.343 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 112.658 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.52 134.78 56.41 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.816 1.246 . . . . 0.0 111.615 -174.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.15 -172.97 3.86 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.886 0.475 . . . . 0.0 111.879 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.28 1.56 90.09 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.977 0.799 . . . . 0.0 111.335 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -167.75 151.19 6.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.597 1.559 . . . . 0.0 108.028 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -88.7 172.82 8.97 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.322 1.049 . . . . 0.0 109.856 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -61.42 -38.61 87.74 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.274 1.029 . . . . 0.0 109.737 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -54.96 -53.33 57.03 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 110.099 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.15 -42.71 83.89 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.706 1.603 . . . . 0.0 112.546 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.9 t -29.67 135.35 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 128.858 2.863 . . . . 0.0 114.888 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -113.91 -2.0 13.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 111.656 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 125.154 1.382 . . . . 0.0 109.875 -174.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.62 0.248 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 105.32 4.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.581 1.952 . . . . 0.0 105.918 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 t -47.6 127.6 11.6 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.282 1.833 . . . . 0.0 112.362 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -61.51 -46.9 88.04 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.855 0.462 . . . . 0.0 111.079 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.13 -30.8 69.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.602 1.561 . . . . 0.0 113.112 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -142.43 -26.16 0.63 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.51 -45.72 1.27 Allowed Glycine 0 C--N 1.34 0.752 0 C-N-CA 124.657 1.123 . . . . 0.0 111.268 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.29 135.33 49.97 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.656 0.782 . . . . 0.0 111.567 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -78.08 -164.72 0.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.863 1.665 . . . . 0.0 111.175 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.08 -57.9 3.6 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.515 1.531 . . . . 0.0 110.932 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -101.22 171.29 7.7 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.569 1.548 . . . . 0.0 110.434 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.9 p -118.48 -175.95 2.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.15 1.38 . . . . 0.0 108.787 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.77 -40.7 55.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.734 1.214 . . . . 0.0 112.913 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -65.4 -46.28 80.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.788 0.435 . . . . 0.0 111.75 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -73.55 -17.74 61.16 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.002 0.521 . . . . 0.0 111.18 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -79.63 98.25 6.85 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 122.548 0.339 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -85.99 59.58 5.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 163.17 33.5 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.542 1.537 . . . . 0.0 109.516 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.63 101.57 0.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.038 3.158 . . . . 0.0 111.647 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -91.75 177.45 6.19 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.798 0.839 . . . . 0.0 111.763 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.55 150.52 22.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.772 2.029 . . . . 0.0 106.853 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -89.38 -54.37 4.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.83 -150.35 12.04 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.188 1.375 . . . . 0.0 113.398 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 46' ' ' MET . 9.5 t -59.81 125.42 23.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.699 1.199 . . . . 0.0 110.886 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -64.89 -44.4 89.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.164 0.586 . . . . 0.0 111.135 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -73.5 -76.54 0.12 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.835 0.854 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.0 p -66.28 -40.72 90.28 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.248 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.3 -21.67 12.85 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 119.213 0.915 . . . . 0.0 114.071 174.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -80.22 145.42 32.25 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.443 1.097 . . . . 0.0 111.083 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.65 179.17 5.35 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.3 1.04 . . . . 0.0 112.733 -175.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.89 -39.26 3.05 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -119.14 148.81 42.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 126.239 1.816 . . . . 0.0 109.96 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.65 175.75 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.192 1.397 . . . . 0.0 108.051 174.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.466 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 16.0 tmm? -62.58 -39.13 92.72 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.725 0.81 . . . . 0.0 112.377 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.53 -42.75 99.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.205 1.002 . . . . 0.0 110.698 174.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.76 -46.0 59.87 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.063 1.345 . . . . 0.0 112.15 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 t -37.26 139.14 0.26 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.303 2.641 . . . . 0.0 114.923 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 t -139.08 42.08 2.09 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.724 1.21 . . . . 0.0 110.063 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -59.73 120.09 8.86 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 111.994 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.6 t -72.15 125.33 27.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.013 1.325 . . . . 0.0 109.87 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -57.72 -45.79 85.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.777 0.717 . . . . 0.0 111.727 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -61.21 -60.54 3.6 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.768 1.227 . . . . 0.0 113.37 -174.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.59 -25.54 13.54 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -174.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -47.84 1.02 Allowed Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.577 1.084 . . . . 0.0 111.251 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -53.92 133.49 43.03 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.038 1.335 . . . . 0.0 112.557 -174.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -74.01 -176.79 2.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.906 2.082 . . . . 0.0 112.808 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -55.73 4.08 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 124.956 1.265 . . . . 0.0 110.801 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -106.59 164.47 12.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.261 1.424 . . . . 0.0 108.565 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 p -110.87 176.62 4.96 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.813 0.845 . . . . 0.0 110.835 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.81 24.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 125.86 1.664 . . . . 0.0 112.622 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -31.43 68.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -95.99 -0.5 50.52 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.9 1.28 . . . . 0.0 112.342 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -68.11 120.57 14.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.155 0.582 . . . . 0.0 110.658 -175.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -82.01 64.41 6.68 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.01 159.75 21.8 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 125.541 1.537 . . . . 0.0 107.864 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.67 141.9 98.04 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.363 2.708 . . . . 0.0 110.674 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -175.65 4.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 110.524 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.449 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.95 175.86 7.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.302 1.441 . . . . 0.0 112.635 -174.258 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.82 -69.19 0.8 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.63 1.172 . . . . 0.0 109.829 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.56 -151.94 28.01 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.541 1.067 . . . . 0.0 112.446 -174.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.2 t -52.45 133.29 35.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.745 1.218 . . . . 0.0 110.737 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -65.24 -55.79 16.47 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 122.617 0.367 . . . . 0.0 111.498 -174.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.6 -70.22 0.49 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.35 0.26 . . . . 0.0 111.201 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -29.46 70.53 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.41 -41.58 2.12 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 118.855 0.752 . . . . 0.0 113.745 174.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -56.01 129.64 40.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.631 0.772 . . . . 0.0 112.955 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -179.0 7.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.445 1.098 . . . . 0.0 112.63 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.73 -0.86 85.32 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.036 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -165.31 162.52 19.76 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.266 1.427 . . . . 0.0 108.634 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.91 163.64 12.2 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.625 0.77 . . . . 0.0 110.609 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.0 ttp -50.79 -45.24 59.11 Favored 'General case' 0 N--CA 1.461 0.097 0 C-N-CA 125.741 1.616 . . . . 0.0 111.02 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -49.0 -65.9 0.49 Allowed 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 126.738 2.015 . . . . 0.0 110.597 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -49.98 -49.15 51.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.075 2.15 . . . . 0.0 112.56 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 141.99 56.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.461 1.504 . . . . 0.0 113.715 -174.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -125.4 25.59 7.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.713 1.605 . . . . 0.0 109.344 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 125.327 1.451 . . . . 0.0 109.371 179.446 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -124.79 116.22 21.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.514 1.926 . . . . 0.0 106.153 173.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.63 126.27 28.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.945 0.898 . . . . 0.0 111.731 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -64.53 -42.65 95.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.275 0.489 . . . . 0.0 109.822 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -74.07 -0.43 16.49 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -158.71 -29.91 0.07 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 120.187 1.358 . . . . 0.0 113.407 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.48 -43.46 1.68 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.001 1.286 . . . . 0.0 111.193 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.73 135.59 55.24 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.257 0.623 . . . . 0.0 110.916 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.31 178.22 8.44 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.725 1.21 . . . . 0.0 112.494 -174.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.42 85.11 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.487 1.041 . . . . 0.0 113.106 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -157.42 162.95 39.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.152 0.976 . . . . 0.0 109.769 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.0 p -105.02 -177.74 3.45 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.549 1.14 . . . . 0.0 111.598 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.67 69.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.896 1.678 . . . . 0.0 112.804 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.92 -38.92 66.7 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.801 0.728 . . . . 0.0 111.12 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.02 -38.38 73.06 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.944 1.298 . . . . 0.0 110.863 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -47.91 129.71 14.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.48 1.512 . . . . 0.0 112.92 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -82.58 62.12 6.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.885 0.874 . . . . 0.0 109.312 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.01 144.05 12.65 Favored Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 126.486 1.914 . . . . 0.0 106.094 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -51.66 140.92 45.04 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.569 2.846 . . . . 0.0 110.736 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 154.05 20.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.385 0.612 . . . . 0.0 109.802 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -89.32 130.73 35.66 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.81 1.644 . . . . 0.0 108.62 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -89.16 -40.09 13.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.459 1.104 . . . . 0.0 109.442 -174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.59 -160.8 6.54 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.619 0.628 . . . . 0.0 112.138 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.0 t -72.68 121.89 20.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.03 0.932 . . . . 0.0 110.453 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -61.45 -51.1 70.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.666 0.387 . . . . 0.0 111.942 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.65 -74.26 0.11 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.414 0.686 . . . . 0.0 111.904 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -20.99 55.61 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.21 -40.97 2.24 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 119.179 0.899 . . . . 0.0 111.526 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -50.83 131.53 26.28 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.47 1.108 . . . . 0.0 111.992 -174.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.62 -178.56 4.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.628 1.171 . . . . 0.0 112.351 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.8 6.19 86.95 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.03 -174.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -165.69 148.12 7.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.278 1.431 . . . . 0.0 108.217 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -84.06 169.73 14.62 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.377 0.671 . . . . 0.0 109.829 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -60.55 -43.3 97.38 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.73 0.812 . . . . 0.0 109.761 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -54.83 15.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 126.724 2.01 . . . . 0.0 110.585 173.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.2 -44.46 95.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.617 1.567 . . . . 0.0 112.171 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t -44.29 140.43 2.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 126.77 2.028 . . . . 0.0 114.883 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.6 p -108.7 -20.34 13.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.71 1.604 . . . . 0.0 111.57 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 125.715 1.606 . . . . 0.0 111.073 -176.808 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 110.21 19.66 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.399 1.08 . . . . 0.0 108.467 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -53.48 117.88 3.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.209 1.404 . . . . 0.0 112.91 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 42.9 m-85 -53.55 -39.74 64.98 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.153 0.581 . . . . 0.0 111.624 174.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -77.01 4.48 9.98 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -174.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -160.54 -48.84 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.006 1.275 . . . . 0.0 112.46 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.79 -35.9 3.15 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.098 1.332 . . . . 0.0 111.282 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -63.69 141.35 58.8 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 117.49 0.645 . . . . 0.0 110.438 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -85.99 -165.57 1.28 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.879 0.872 . . . . 0.0 111.693 -174.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.91 -5.55 17.4 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.945 1.259 . . . . 0.0 113.893 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -155.58 165.27 37.08 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.012 1.406 . . . . 0.0 112.566 -174.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -110.52 170.64 7.95 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 125.294 1.438 . . . . 0.0 111.729 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.54 52.42 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.365 1.466 . . . . 0.0 112.224 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.11 -42.55 93.86 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.454 1.101 . . . . 0.0 111.575 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.6 -31.88 57.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.563 1.145 . . . . 0.0 111.253 -176.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.2 t -52.29 122.26 8.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.352 1.061 . . . . 0.0 113.216 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -84.79 61.76 6.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.474 1.11 . . . . 0.0 108.416 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.49 157.03 36.86 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 125.163 1.385 . . . . 0.0 108.822 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.98 122.57 11.94 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.429 2.753 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 154.43 20.19 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-O 121.26 0.552 . . . . 0.0 109.923 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -89.59 178.82 6.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.898 1.279 . . . . 0.0 111.303 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.5 -56.69 1.5 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.595 1.558 . . . . 0.0 108.491 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.95 -170.46 13.76 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.462 1.03 . . . . 0.0 112.336 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 t -59.43 129.78 43.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.153 0.581 . . . . 0.0 111.477 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.404 ' CZ3' ' CD2' ' A' ' 16' ' ' PHE . 8.0 m0 -68.26 -50.39 54.11 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.813 0.845 . . . . 0.0 110.972 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -63.62 -72.29 0.14 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.915 0.886 . . . . 0.0 111.682 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -75.25 -28.41 59.83 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.07 -40.33 2.49 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 118.367 0.531 . . . . 0.0 111.852 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -58.91 141.81 52.5 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.717 0.807 . . . . 0.0 111.698 -174.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -98.59 -172.52 2.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.142 0.977 . . . . 0.0 110.88 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.17 3.06 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -118.36 151.82 37.0 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.531 1.933 . . . . 0.0 108.86 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -98.38 174.2 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.065 0.946 . . . . 0.0 109.058 174.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.09 -44.45 95.7 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.505 0.722 . . . . 0.0 111.73 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -52.49 -42.61 64.44 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.362 0.665 . . . . 0.0 110.877 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -72.19 -46.38 56.48 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.14 1.376 . . . . 0.0 112.17 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -41.85 140.6 0.99 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.173 2.589 . . . . 0.0 114.957 -173.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -124.91 -2.07 7.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.606 1.563 . . . . 0.0 112.081 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 . . . . . 0 C--N 1.342 0.279 0 C-N-CA 125.28 1.432 . . . . 0.0 111.162 -174.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.224 -0.25 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -145.09 94.17 2.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 127.471 2.308 . . . . 0.0 105.389 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.0 t -39.48 126.98 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.953 2.101 . . . . 0.0 114.118 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -59.32 -45.42 91.37 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.16 0.584 . . . . 0.0 110.905 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -77.8 -1.31 30.84 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -155.45 -30.33 0.1 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.382 1.446 . . . . 0.0 113.924 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.46 -42.23 2.01 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.701 1.143 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -59.44 141.96 53.49 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 117.517 0.659 . . . . 0.0 111.156 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -77.68 179.5 6.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.798 1.639 . . . . 0.0 113.952 -174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 -47.56 3.74 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.055 1.312 . . . . 0.0 111.968 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -114.76 165.62 12.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.048 1.339 . . . . 0.0 111.181 -174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -117.73 -175.55 2.85 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.429 1.092 . . . . 0.0 111.673 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.44 72.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.195 1.798 . . . . 0.0 113.158 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -64.62 -44.03 91.82 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.636 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -73.45 -26.22 60.83 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.483 1.113 . . . . 0.0 112.731 -175.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -44.7 -40.07 5.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 47.99 55.19 8.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.732 1.213 . . . . 0.0 110.713 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.04 155.99 72.57 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 126.579 1.952 . . . . 0.0 106.509 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -54.71 125.62 19.67 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.545 2.163 . . . . 0.0 109.341 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -89.17 167.32 13.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.414 0.686 . . . . 0.0 110.86 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -89.26 -176.3 5.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.797 0.839 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -50.35 0.72 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.646 1.578 . . . . 0.0 107.769 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.8 -173.72 11.73 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.069 0.842 . . . . 0.0 112.51 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.7 t -64.92 125.36 24.61 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.193 0.997 . . . . 0.0 111.62 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -68.04 -53.05 28.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.113 1.365 . . . . 0.0 111.078 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -66.56 -69.76 0.29 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.785 0.834 . . . . 0.0 111.981 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -30.27 54.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -174.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 -43.31 1.75 Allowed Glycine 0 C--N 1.341 0.848 0 CA-C-N 118.956 0.798 . . . . 0.0 113.183 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -55.25 139.08 43.56 Favored 'General case' 0 C--N 1.341 0.202 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -174.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -172.59 2.85 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.563 1.145 . . . . 0.0 111.091 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.02 4.65 72.98 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.653 0.644 . . . . 0.0 111.931 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -166.16 146.96 6.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.575 1.55 . . . . 0.0 108.046 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -86.33 170.12 12.33 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.85 -41.89 96.76 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.834 0.853 . . . . 0.0 110.149 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.65 -45.02 63.2 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.134 0.974 . . . . 0.0 110.788 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -75.41 -44.51 44.19 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.523 1.529 . . . . 0.0 111.867 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.5 t -38.75 141.35 0.28 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 128.594 2.758 . . . . 0.0 116.593 -173.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.3 p -135.82 41.21 2.71 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.776 1.631 . . . . 0.0 110.563 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.615 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.687 0.28 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.61 101.79 3.72 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.076 2.151 . . . . 0.0 105.666 173.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.25 126.49 14.93 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.492 1.517 . . . . 0.0 112.237 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.89 -45.7 86.01 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.842 0.457 . . . . 0.0 110.825 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.01 -23.91 63.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 p -144.62 -17.2 0.54 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.155 1.343 . . . . 0.0 114.53 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.33 -39.08 2.87 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.715 1.15 . . . . 0.0 111.92 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -59.61 143.17 51.19 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.392 0.677 . . . . 0.0 111.308 -174.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.07 -165.37 0.82 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.886 0.875 . . . . 0.0 111.114 -175.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.78 -51.88 3.49 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.867 1.223 . . . . 0.0 111.79 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -118.88 172.05 7.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.479 1.512 . . . . 0.0 112.325 -174.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.8 p -117.23 -178.53 3.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.63 1.572 . . . . 0.0 110.379 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.34 -46.03 25.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.691 1.996 . . . . 0.0 113.22 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -61.93 -55.01 34.0 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.474 1.11 . . . . 0.0 112.833 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -56.82 -46.02 81.91 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.417 0.553 . . . . 0.0 111.065 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -33.94 107.57 0.05 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.004 1.722 . . . . 0.0 113.826 -174.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -82.56 60.97 5.45 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 155.86 50.11 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 126.545 1.938 . . . . 0.0 106.592 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -54.84 129.78 37.01 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.135 2.556 . . . . 0.0 109.345 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 150.28 22.6 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.565 0.697 . . . . 0.0 109.143 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -89.12 132.18 34.93 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.991 1.716 . . . . 0.0 109.512 -173.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.21 -49.76 6.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.192 0.997 . . . . 0.0 109.38 -174.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.63 -168.48 7.68 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.949 0.785 . . . . 0.0 112.911 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.27 124.21 22.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.206 1.003 . . . . 0.0 111.394 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -68.11 -55.37 12.68 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.694 1.197 . . . . 0.0 110.918 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -68.66 -70.83 0.24 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.041 0.382 . . . . 0.0 111.316 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -28.04 67.39 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.1 -41.83 2.04 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 118.797 0.726 . . . . 0.0 112.504 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 130.24 45.16 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.608 0.763 . . . . 0.0 110.982 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.57 -172.26 3.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.158 0.583 . . . . 0.0 111.725 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.42 -38.2 3.24 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -174.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -123.53 153.14 41.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.265 1.826 . . . . 0.0 109.028 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -87.51 170.63 11.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.28 1.032 . . . . 0.0 109.364 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 41.8 ttp -63.26 -34.47 77.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.652 0.781 . . . . 0.0 110.318 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -59.5 -50.08 75.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.96 0.904 . . . . 0.0 109.987 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -66.93 -43.78 82.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.25 1.42 . . . . 0.0 111.792 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 t -31.35 129.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 128.705 2.802 . . . . 0.0 115.578 -174.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.0 p -113.5 -5.48 13.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.317 1.847 . . . . 0.0 110.459 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--N 1.342 0.244 0 C-N-CA 124.77 1.228 . . . . 0.0 110.562 -174.831 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 116.78 11.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 125.916 1.686 . . . . 0.0 107.443 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -64.77 115.52 5.38 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ3' ' A' ' 37' ' ' TRP . 19.7 m-85 -56.16 -39.19 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.655 0.782 . . . . 0.0 110.286 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -79.29 -0.24 31.56 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.769 1.628 . . . . 0.0 114.108 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -159.08 -37.73 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.405 1.457 . . . . 0.0 113.576 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.67 -32.48 5.5 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.383 1.468 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.57 144.27 54.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 117.891 0.845 . . . . 0.0 110.266 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -81.62 -166.49 1.21 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.511 1.124 . . . . 0.0 110.817 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.45 -52.36 3.07 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.1 1.334 . . . . 0.0 112.236 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -115.02 167.42 10.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.231 1.412 . . . . 0.0 111.907 -174.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -113.87 180.0 3.8 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.618 1.167 . . . . 0.0 111.541 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.31 -51.28 14.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.159 1.784 . . . . 0.0 112.918 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -61.37 -43.98 97.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.568 0.347 . . . . 0.0 111.44 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.59 -36.41 82.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.11 0.964 . . . . 0.0 111.548 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -51.98 128.65 24.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.416 1.087 . . . . 0.0 113.025 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -84.18 66.89 9.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.9 157.72 33.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.075 1.35 . . . . 0.0 108.404 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.99 127.86 28.12 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.615 2.877 . . . . 0.0 110.13 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -89.2 124.44 34.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.966 0.889 . . . . 0.0 109.74 -174.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -89.77 112.38 23.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 127.068 2.147 . . . . 0.0 107.156 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -89.81 -30.14 18.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.216 1.007 . . . . 0.0 113.125 -174.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.48 -131.45 0.03 OUTLIER Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.761 1.648 . . . . 0.0 114.119 -174.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.2 102.14 14.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.252 -0.558 . . . . 0.0 110.194 176.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.425 ' CZ3' ' CZ ' ' A' ' 16' ' ' PHE . 4.1 m0 -58.97 -35.93 73.99 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -68.17 -77.7 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.378 0.671 . . . . 0.0 111.388 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -40.0 34.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.379 -0.82 . . . . 0.0 112.442 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.1 -47.39 0.97 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 174.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.06 139.12 42.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.514 1.157 . . . . 0.0 113.366 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.59 -170.94 1.9 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.255 1.022 . . . . 0.0 110.737 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.59 -44.24 2.75 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -115.11 153.71 30.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.94 2.096 . . . . 0.0 108.294 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -82.25 172.1 13.51 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.544 0.338 . . . . 0.0 110.902 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.54 -46.19 89.59 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.418 -0.801 . . . . 0.0 110.947 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -48.78 -61.37 2.08 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.651 1.981 . . . . 0.0 111.247 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -50.49 -51.46 47.1 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.441 2.696 . . . . 0.0 112.993 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 t -31.34 131.23 0.11 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.592 2.357 . . . . 0.0 116.7 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.3 p -121.04 7.79 10.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.889 1.676 . . . . 0.0 112.556 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 125.301 1.441 . . . . 0.0 109.445 176.213 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -57.15 115.26 2.55 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.959 0.903 . . . . 0.0 110.676 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.95 134.01 46.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.673 0.789 . . . . 0.0 111.113 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -66.91 -49.46 65.48 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.282 0.492 . . . . 0.0 110.294 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.42 -2.65 11.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -155.2 -31.13 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.023 1.283 . . . . 0.0 113.235 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.4 -44.78 1.42 Allowed Glycine 0 C--N 1.34 0.796 0 C-N-CA 124.11 0.862 . . . . 0.0 111.822 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.89 150.34 24.46 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -79.07 179.86 7.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.672 -174.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.74 -51.5 4.11 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.262 0.934 . . . . 0.0 112.07 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -112.05 164.51 13.07 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.408 1.083 . . . . 0.0 112.155 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -101.22 176.03 5.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.837 1.655 . . . . 0.0 110.895 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.49 -50.59 40.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.512 1.525 . . . . 0.0 111.823 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -68.36 -30.81 69.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -70.83 -48.47 53.85 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.289 0.495 . . . . 0.0 110.423 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -26.0 117.28 0.07 Allowed 'General case' 0 C--N 1.341 0.209 0 C-N-CA 127.606 2.362 . . . . 0.0 114.909 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -81.75 61.9 5.32 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.296 1.038 . . . . 0.0 109.325 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.15 22.22 Favored Pre-proline 0 N--CA 1.454 -0.227 0 C-N-CA 126.51 1.924 . . . . 0.0 106.469 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.4 130.08 38.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.363 2.709 . . . . 0.0 111.364 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.26 151.55 22.06 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -89.51 170.98 10.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.615 1.166 . . . . 0.0 108.019 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -117.35 -46.71 2.68 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.776 0.83 . . . . 0.0 110.685 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.36 -176.71 48.68 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.16 0.886 . . . . 0.0 112.191 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -40.19 120.55 1.21 Allowed 'General case' 0 C--N 1.344 0.336 0 C-N-CA 126.187 1.795 . . . . 0.0 112.362 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.321 0.51 . . . . 0.0 112.019 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -81.06 -73.44 0.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.454 0.702 . . . . 0.0 112.674 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.29 -24.92 63.12 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.056 0.843 . . . . 0.0 113.163 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.0 -39.81 2.68 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 118.882 0.765 . . . . 0.0 111.994 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -56.67 138.0 53.26 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.756 0.822 . . . . 0.0 111.923 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.89 -173.93 2.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.439 1.096 . . . . 0.0 111.063 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.24 -41.58 3.07 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.6 151.25 38.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.488 1.915 . . . . 0.0 108.907 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -95.2 174.57 6.99 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.252 0.621 . . . . 0.0 109.357 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -62.39 -43.37 98.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.804 0.841 . . . . 0.0 112.412 -174.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.24 -45.72 87.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.691 0.397 . . . . 0.0 110.677 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -66.55 -44.26 82.81 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.162 1.385 . . . . 0.0 112.514 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.6 t -29.71 137.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 129.586 3.154 . . . . 0.0 116.134 -173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.9 p -106.49 -26.44 11.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.54 1.536 . . . . 0.0 109.404 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 . . . . . 0 N--CA 1.448 -0.562 0 C-N-CA 126.749 2.019 . . . . 0.0 110.366 -176.102 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.721 0.296 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 111.71 8.75 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.193 2.197 . . . . 0.0 105.753 173.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -57.7 126.9 29.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.444 1.098 . . . . 0.0 111.761 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.37 -44.71 95.81 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.168 0.509 . . . . 0.0 110.196 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -72.39 -3.77 26.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.511 1.524 . . . . 0.0 115.064 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -159.08 -29.55 0.07 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.444 1.475 . . . . 0.0 114.014 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.77 -44.41 1.51 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.073 1.321 . . . . 0.0 111.418 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.51 135.63 50.55 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.54 0.736 . . . . 0.0 111.183 -174.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -76.58 -178.38 4.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.233 1.413 . . . . 0.0 113.327 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.37 -57.35 4.74 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.722 1.153 . . . . 0.0 110.639 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -97.59 167.3 11.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.793 1.237 . . . . 0.0 110.621 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.4 p -117.03 -166.68 1.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.632 1.573 . . . . 0.0 109.459 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -55.04 39.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -52.56 -51.98 57.16 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 123.776 0.83 . . . . 0.0 111.904 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -74.81 -1.01 20.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -174.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.0 t -85.2 114.41 22.29 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.641 0.776 . . . . 0.0 109.396 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -84.81 62.92 7.72 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.92 157.16 72.08 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 126.721 2.008 . . . . 0.0 107.063 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.88 122.33 11.62 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.063 2.508 . . . . 0.0 110.832 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 154.35 20.41 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -176.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.25 156.75 18.56 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.231 1.013 . . . . 0.0 112.944 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -89.97 -64.16 1.18 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.338 1.855 . . . . 0.0 108.572 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.51 -171.99 44.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 124.712 1.149 . . . . 0.0 113.456 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -32.09 114.37 0.14 Allowed 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 128.393 2.677 . . . . 0.0 112.961 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -63.95 -42.57 97.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.461 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -76.94 -75.2 0.21 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.737 -174.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -38.34 89.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.405 -175.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.0 -46.89 1.07 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.937 0.779 . . . . 0.0 113.416 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -52.8 135.81 35.0 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.49 1.516 . . . . 0.0 113.436 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.29 -169.19 2.41 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.245 0.618 . . . . 0.0 111.216 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.68 1.62 83.72 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -168.33 168.08 11.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.827 2.051 . . . . 0.0 107.721 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.38 166.03 11.67 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.293 0.637 . . . . 0.0 110.068 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -50.9 -40.04 55.84 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.478 1.511 . . . . 0.0 111.711 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -53.35 -44.67 68.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.794 1.238 . . . . 0.0 111.319 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -79.83 -47.05 15.78 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.682 1.993 . . . . 0.0 112.108 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.5 t -22.45 122.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.159 0 C-N-CA 130.105 3.362 . . . . 0.0 114.57 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -95.28 -13.31 24.95 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.91 1.684 . . . . 0.0 111.189 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.452 -0.339 0 C-N-CA 124.742 1.217 . . . . 0.0 109.419 -174.622 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.671 -0.204 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.86 111.22 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 111.65 1.9 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.606 0.762 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.34 127.33 30.83 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.09 0.956 . . . . 0.0 110.182 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.38 -45.6 90.37 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.93 0.786 . . . . 0.0 110.906 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.89 -56.9 15.63 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.835 1.254 . . . . 0.0 111.849 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.93 -29.94 9.65 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -47.04 1.08 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.388 0.994 . . . . 0.0 111.029 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -55.68 141.55 37.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.971 0.908 . . . . 0.0 113.003 -174.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -78.72 177.56 8.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 126.231 1.812 . . . . 0.0 111.856 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.05 88.14 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.716 1.151 . . . . 0.0 113.903 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -167.92 167.54 12.76 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.196 0.998 . . . . 0.0 109.464 -175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.9 p -115.39 175.1 5.66 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.46 49.17 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 126.294 1.838 . . . . 0.0 112.162 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -61.55 -45.08 95.69 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.518 0.727 . . . . 0.0 111.943 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -65.92 -39.98 91.03 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.92 0.488 . . . . 0.0 112.054 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -40.91 118.98 1.06 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.753 2.021 . . . . 0.0 113.069 -174.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.46 66.87 6.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.93 149.46 7.98 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 125.827 1.651 . . . . 0.0 107.837 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.08 132.74 35.41 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.481 2.121 . . . . 0.0 109.216 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -89.69 171.28 9.77 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.349 0.66 . . . . 0.0 111.301 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -89.21 147.98 23.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.13 1.372 . . . . 0.0 110.156 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -89.54 -58.6 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.829 1.252 . . . . 0.0 108.078 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.28 -164.14 10.55 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 124.713 1.149 . . . . 0.0 113.616 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.0 127.14 30.11 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.716 1.206 . . . . 0.0 110.44 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.1 m0 -69.37 -56.2 8.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.749 0.419 . . . . 0.0 110.037 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.57 -68.24 0.42 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.229 0.612 . . . . 0.0 111.451 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -28.46 67.74 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -175.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 -45.17 1.36 Allowed Glycine 0 C--N 1.343 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 112.658 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.52 134.78 56.41 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.816 1.246 . . . . 0.0 111.615 -174.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.15 -172.97 3.86 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.886 0.475 . . . . 0.0 111.879 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.28 1.56 90.09 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.977 0.799 . . . . 0.0 111.335 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -167.75 151.19 6.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.597 1.559 . . . . 0.0 108.028 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -88.7 172.82 8.97 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.322 1.049 . . . . 0.0 109.856 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -61.42 -38.61 87.74 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.274 1.029 . . . . 0.0 109.737 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -54.96 -53.33 57.03 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 110.099 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.15 -42.71 83.89 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.706 1.603 . . . . 0.0 112.546 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.9 t -29.67 135.35 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 128.858 2.863 . . . . 0.0 114.888 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -113.91 -2.0 13.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 111.656 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -72.9 -100.36 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.154 1.382 . . . . 0.0 109.875 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -95.74 66.8 2.72 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -92.41 112.21 24.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.482 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.53 -49.5 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.838 1.255 . . . . 0.0 108.849 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 117.166 -1.397 . . . . 0.0 107.7 176.207 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.401 " H1'" ' C5 ' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.6 1 O4'-C1'-C2' 101.438 -4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.758 0 O4'-C1'-N19 110.762 3.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . 0.401 ' C5 ' " H1'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.981 0 O4'-C1'-C2' 102.001 -3.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 1 O4'-C1'-N19 112.873 6.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.478 0 O4'-C1'-N19 110.788 3.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.737 1 O4'-C1'-N19 112.749 6.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 1 O4'-C1'-N19 111.573 4.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 3 O4'-C1'-N19 113.858 7.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.179 2 O4'-C1'-N19 111.763 4.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.41 2 O4'-C1'-N19 114.725 8.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 112.095 5.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 2 O4'-C1'-N19 112.182 5.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.144 0 P-O3'-C3' 122.595 2.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -136.47 163.91 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.735 1.214 . . . . 0.0 110.77 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 105.32 4.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.581 1.952 . . . . 0.0 105.918 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 t -47.6 127.6 11.6 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.282 1.833 . . . . 0.0 112.362 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -61.51 -46.9 88.04 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.855 0.462 . . . . 0.0 111.079 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.13 -30.8 69.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.602 1.561 . . . . 0.0 113.112 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -142.43 -26.16 0.63 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.51 -45.72 1.27 Allowed Glycine 0 C--N 1.34 0.752 0 C-N-CA 124.657 1.123 . . . . 0.0 111.268 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.29 135.33 49.97 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.656 0.782 . . . . 0.0 111.567 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -78.08 -164.72 0.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.863 1.665 . . . . 0.0 111.175 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.08 -57.9 3.6 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.515 1.531 . . . . 0.0 110.932 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -101.22 171.29 7.7 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.569 1.548 . . . . 0.0 110.434 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.9 p -118.48 -175.95 2.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.15 1.38 . . . . 0.0 108.787 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.77 -40.7 55.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.734 1.214 . . . . 0.0 112.913 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -65.4 -46.28 80.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.788 0.435 . . . . 0.0 111.75 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -73.55 -17.74 61.16 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.002 0.521 . . . . 0.0 111.18 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -79.63 98.25 6.85 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 122.548 0.339 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -85.99 59.58 5.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 163.17 33.5 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.542 1.537 . . . . 0.0 109.516 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.63 101.57 0.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.038 3.158 . . . . 0.0 111.647 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -91.75 177.45 6.19 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.798 0.839 . . . . 0.0 111.763 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.55 150.52 22.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.772 2.029 . . . . 0.0 106.853 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -89.38 -54.37 4.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.83 -150.35 12.04 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.188 1.375 . . . . 0.0 113.398 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' A' ' 46' ' ' MET . 9.5 t -59.81 125.42 23.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.699 1.199 . . . . 0.0 110.886 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -64.89 -44.4 89.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.164 0.586 . . . . 0.0 111.135 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -73.5 -76.54 0.12 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.835 0.854 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.0 p -66.28 -40.72 90.28 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.248 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.3 -21.67 12.85 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 119.213 0.915 . . . . 0.0 114.071 174.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -80.22 145.42 32.25 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.443 1.097 . . . . 0.0 111.083 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.65 179.17 5.35 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.3 1.04 . . . . 0.0 112.733 -175.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.89 -39.26 3.05 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -119.14 148.81 42.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 126.239 1.816 . . . . 0.0 109.96 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.65 175.75 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.192 1.397 . . . . 0.0 108.051 174.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.466 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 16.0 tmm? -62.58 -39.13 92.72 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.725 0.81 . . . . 0.0 112.377 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.53 -42.75 99.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.205 1.002 . . . . 0.0 110.698 174.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.76 -46.0 59.87 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.063 1.345 . . . . 0.0 112.15 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 t -37.26 139.14 0.26 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.303 2.641 . . . . 0.0 114.923 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 t -139.08 42.08 2.09 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.724 1.21 . . . . 0.0 110.063 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -79.79 -103.89 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -155.93 56.98 0.6 Allowed 'General case' 0 C--N 1.338 0.077 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -61.94 -43.78 98.14 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.672 -174.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.24 66.92 8.05 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 116.967 -1.492 . . . . 0.0 110.978 -174.802 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.096 3 C4'-C3'-C2' 95.539 -7.661 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.011 1 C4'-C3'-C2' 98.194 -5.006 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 1 O4'-C1'-N19 113.425 7.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.768 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 0 O4'-C1'-N19 110.334 3.168 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 P-O3'-C3' 122.721 2.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 3 O4'-C1'-N19 112.561 5.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.294 0 N19-C1'-C2' 119.793 3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.292 2 O4'-C1'-N19 114.827 8.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 2 O4'-C1'-N19 119.185 14.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.394 1 O4'-C1'-N19 114.53 8.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 P-O3'-C3' 123.109 2.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 0 P-O3'-C3' 123.298 2.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 0 P-O3'-C3' 122.614 2.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -163.69 103.41 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.978 1.311 . . . . 0.0 107.667 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -59.73 120.09 8.86 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 111.994 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.6 t -72.15 125.33 27.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.013 1.325 . . . . 0.0 109.87 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -57.72 -45.79 85.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.777 0.717 . . . . 0.0 111.727 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -61.21 -60.54 3.6 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.768 1.227 . . . . 0.0 113.37 -174.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.59 -25.54 13.54 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -174.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -47.84 1.02 Allowed Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.577 1.084 . . . . 0.0 111.251 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -53.92 133.49 43.03 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.038 1.335 . . . . 0.0 112.557 -174.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -74.01 -176.79 2.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.906 2.082 . . . . 0.0 112.808 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -55.73 4.08 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 124.956 1.265 . . . . 0.0 110.801 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -106.59 164.47 12.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.261 1.424 . . . . 0.0 108.565 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 p -110.87 176.62 4.96 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.813 0.845 . . . . 0.0 110.835 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.81 24.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 125.86 1.664 . . . . 0.0 112.622 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -31.43 68.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -95.99 -0.5 50.52 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.9 1.28 . . . . 0.0 112.342 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -68.11 120.57 14.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.155 0.582 . . . . 0.0 110.658 -175.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -82.01 64.41 6.68 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.01 159.75 21.8 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 125.541 1.537 . . . . 0.0 107.864 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.67 141.9 98.04 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.363 2.708 . . . . 0.0 110.674 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -175.65 4.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 110.524 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.95 175.86 7.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.302 1.441 . . . . 0.0 112.635 -174.258 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.82 -69.19 0.8 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.63 1.172 . . . . 0.0 109.829 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.56 -151.94 28.01 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.541 1.067 . . . . 0.0 112.446 -174.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.2 t -52.45 133.29 35.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.745 1.218 . . . . 0.0 110.737 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -65.24 -55.79 16.47 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 122.617 0.367 . . . . 0.0 111.498 -174.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.6 -70.22 0.49 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.35 0.26 . . . . 0.0 111.201 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -29.46 70.53 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.41 -41.58 2.12 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 118.855 0.752 . . . . 0.0 113.745 174.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -56.01 129.64 40.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.631 0.772 . . . . 0.0 112.955 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -179.0 7.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.445 1.098 . . . . 0.0 112.63 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.73 -0.86 85.32 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.036 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -165.31 162.52 19.76 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.266 1.427 . . . . 0.0 108.634 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.91 163.64 12.2 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.625 0.77 . . . . 0.0 110.609 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.0 ttp -50.79 -45.24 59.11 Favored 'General case' 0 N--CA 1.461 0.097 0 C-N-CA 125.741 1.616 . . . . 0.0 111.02 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -49.0 -65.9 0.49 Allowed 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 126.738 2.015 . . . . 0.0 110.597 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -49.98 -49.15 51.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.075 2.15 . . . . 0.0 112.56 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 141.99 56.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.461 1.504 . . . . 0.0 113.715 -174.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -125.4 25.59 7.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.713 1.605 . . . . 0.0 109.344 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -69.72 -81.26 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.327 1.451 . . . . 0.0 109.371 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -131.82 71.43 1.47 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.714 1.206 . . . . 0.0 109.32 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -72.47 -79.98 0.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.86 49.5 1.83 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.574 0.75 . . . . 0.0 110.239 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.254 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.639 0 O4'-C1'-N19 110.823 3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.759 3 O4'-C1'-N19 113.458 7.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 1 O4'-C1'-N19 112.513 5.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.653 0 O4'-C1'-N19 109.93 2.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 1 O4'-C1'-N19 112.523 5.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 O4'-C4'-C3' 108.99 3.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 1 C4'-C3'-C2' 98.304 -4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 3 O4'-C1'-N19 112.825 6.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.664 2 O4'-C1'-N19 114.899 8.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 1 O4'-C1'-N19 111.529 4.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.849 3.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.365 4.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.867 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.1 m120 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -147.0 157.06 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.81 1.244 . . . . 0.0 110.143 -174.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -124.79 116.22 21.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.514 1.926 . . . . 0.0 106.153 173.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.63 126.27 28.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.945 0.898 . . . . 0.0 111.731 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -64.53 -42.65 95.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.275 0.489 . . . . 0.0 109.822 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -74.07 -0.43 16.49 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -158.71 -29.91 0.07 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 120.187 1.358 . . . . 0.0 113.407 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.48 -43.46 1.68 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.001 1.286 . . . . 0.0 111.193 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.73 135.59 55.24 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.257 0.623 . . . . 0.0 110.916 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.31 178.22 8.44 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.725 1.21 . . . . 0.0 112.494 -174.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.42 85.11 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.487 1.041 . . . . 0.0 113.106 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -157.42 162.95 39.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.152 0.976 . . . . 0.0 109.769 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.0 p -105.02 -177.74 3.45 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.549 1.14 . . . . 0.0 111.598 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.67 69.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.896 1.678 . . . . 0.0 112.804 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.92 -38.92 66.7 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.801 0.728 . . . . 0.0 111.12 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.02 -38.38 73.06 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.944 1.298 . . . . 0.0 110.863 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -47.91 129.71 14.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.48 1.512 . . . . 0.0 112.92 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -82.58 62.12 6.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.885 0.874 . . . . 0.0 109.312 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.01 144.05 12.65 Favored Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 126.486 1.914 . . . . 0.0 106.094 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -51.66 140.92 45.04 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.569 2.846 . . . . 0.0 110.736 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 154.05 20.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.385 0.612 . . . . 0.0 109.802 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -89.32 130.73 35.66 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.81 1.644 . . . . 0.0 108.62 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -89.16 -40.09 13.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.459 1.104 . . . . 0.0 109.442 -174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.59 -160.8 6.54 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.619 0.628 . . . . 0.0 112.138 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.0 t -72.68 121.89 20.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.03 0.932 . . . . 0.0 110.453 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -61.45 -51.1 70.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.666 0.387 . . . . 0.0 111.942 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.65 -74.26 0.11 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.414 0.686 . . . . 0.0 111.904 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -20.99 55.61 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.21 -40.97 2.24 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 119.179 0.899 . . . . 0.0 111.526 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -50.83 131.53 26.28 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.47 1.108 . . . . 0.0 111.992 -174.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.62 -178.56 4.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.628 1.171 . . . . 0.0 112.351 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.8 6.19 86.95 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.03 -174.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -165.69 148.12 7.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.278 1.431 . . . . 0.0 108.217 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -84.06 169.73 14.62 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.377 0.671 . . . . 0.0 109.829 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -60.55 -43.3 97.38 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.73 0.812 . . . . 0.0 109.761 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -54.83 15.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 126.724 2.01 . . . . 0.0 110.585 173.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.2 -44.46 95.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.617 1.567 . . . . 0.0 112.171 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t -44.29 140.43 2.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 126.77 2.028 . . . . 0.0 114.883 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.6 p -108.7 -20.34 13.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.71 1.604 . . . . 0.0 111.57 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.64 -73.68 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.715 1.606 . . . . 0.0 111.073 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -158.21 100.95 1.71 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.418 1.887 . . . . 0.0 106.67 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.95 -170.92 2.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.702 0.801 . . . . 0.0 110.922 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -154.61 -36.26 0.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.314 1.045 . . . . 0.0 111.746 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t30 . . . . . 0 C--O 1.25 1.104 0 C-N-CA 125.315 1.446 . . . . 0.0 109.128 -174.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.658 1 O4'-C1'-C2' 101.452 -4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.654 0 O4'-C1'-N19 109.94 2.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-C2' 101.963 -3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.838 0 P-O3'-C3' 123.343 3.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 1 O4'-C1'-N19 112.751 6.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 1 O4'-C1'-N19 111.353 4.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.84 5.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 P-O3'-C3' 123.194 2.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 4 O4'-C1'-N19 115.737 9.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 119.444 14.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.257 1 O4'-C1'-N19 113.17 6.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 1 O4'-C1'-N19 113.112 6.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.301 1 O4'-C1'-N19 114.309 8.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 0 P-O3'-C3' 122.447 2.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 p -155.15 147.28 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.655 1.182 . . . . 0.0 108.234 -174.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 110.21 19.66 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.399 1.08 . . . . 0.0 108.467 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -53.48 117.88 3.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.209 1.404 . . . . 0.0 112.91 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 42.9 m-85 -53.55 -39.74 64.98 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.153 0.581 . . . . 0.0 111.624 174.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -77.01 4.48 9.98 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -174.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -160.54 -48.84 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.006 1.275 . . . . 0.0 112.46 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.79 -35.9 3.15 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.098 1.332 . . . . 0.0 111.282 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -63.69 141.35 58.8 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 117.49 0.645 . . . . 0.0 110.438 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -85.99 -165.57 1.28 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.879 0.872 . . . . 0.0 111.693 -174.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.91 -5.55 17.4 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.945 1.259 . . . . 0.0 113.893 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -155.58 165.27 37.08 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.012 1.406 . . . . 0.0 112.566 -174.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -110.52 170.64 7.95 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 125.294 1.438 . . . . 0.0 111.729 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.54 52.42 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.365 1.466 . . . . 0.0 112.224 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.11 -42.55 93.86 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.454 1.101 . . . . 0.0 111.575 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.6 -31.88 57.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.563 1.145 . . . . 0.0 111.253 -176.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.2 t -52.29 122.26 8.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.352 1.061 . . . . 0.0 113.216 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -84.79 61.76 6.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.474 1.11 . . . . 0.0 108.416 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.49 157.03 36.86 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 125.163 1.385 . . . . 0.0 108.822 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.98 122.57 11.94 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.429 2.753 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 154.43 20.19 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-O 121.26 0.552 . . . . 0.0 109.923 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -89.59 178.82 6.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.898 1.279 . . . . 0.0 111.303 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.5 -56.69 1.5 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.595 1.558 . . . . 0.0 108.491 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.95 -170.46 13.76 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.462 1.03 . . . . 0.0 112.336 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 t -59.43 129.78 43.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.153 0.581 . . . . 0.0 111.477 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.404 ' CZ3' ' CD2' ' A' ' 16' ' ' PHE . 8.0 m0 -68.26 -50.39 54.11 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.813 0.845 . . . . 0.0 110.972 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -63.62 -72.29 0.14 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.915 0.886 . . . . 0.0 111.682 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -75.25 -28.41 59.83 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.07 -40.33 2.49 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 118.367 0.531 . . . . 0.0 111.852 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -58.91 141.81 52.5 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.717 0.807 . . . . 0.0 111.698 -174.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -98.59 -172.52 2.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.142 0.977 . . . . 0.0 110.88 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.17 3.06 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -118.36 151.82 37.0 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.531 1.933 . . . . 0.0 108.86 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -98.38 174.2 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.065 0.946 . . . . 0.0 109.058 174.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.09 -44.45 95.7 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.505 0.722 . . . . 0.0 111.73 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -52.49 -42.61 64.44 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.362 0.665 . . . . 0.0 110.877 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -72.19 -46.38 56.48 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.14 1.376 . . . . 0.0 112.17 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -41.85 140.6 0.99 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.173 2.589 . . . . 0.0 114.957 -173.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -124.91 -2.07 7.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.606 1.563 . . . . 0.0 112.081 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.93 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.342 0.279 0 C-N-CA 125.28 1.432 . . . . 0.0 111.162 -174.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -145.96 77.44 1.49 Allowed 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.654 1.182 . . . . 0.0 108.834 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -74.23 -39.91 62.75 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.048 0.539 . . . . 0.0 109.927 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.03 102.95 4.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 174.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.497 -1.239 . . . . 0.0 110.441 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.577 0 N19-C1'-C2' 118.376 2.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 0 O4'-C1'-N19 109.732 2.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 1 O4'-C1'-N19 113.818 7.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 P-O3'-C3' 122.561 2.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.439 1 O4'-C1'-N19 112.211 5.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.038 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 1 C4'-C3'-C2' 97.402 -5.798 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.162 0 N19-C1'-C2' 119.349 3.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 1 O4'-C1'-N19 114.931 8.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.187 2 O4'-C1'-N19 118.314 13.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 1 O4'-C1'-N19 112.303 5.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.463 0 P-O3'-C3' 124.132 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.798 1 O4'-C1'-N19 112.807 6.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 1 P-O3'-C3' 127.365 6.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.524 ' H2 ' " H3'" ' B' ' 104' ' ' ' DC' . 17.1 p-10 . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.539 0.209 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.3 m -120.09 172.84 6.65 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 C-N-CA 125.483 1.513 . . . . 0.0 110.372 -175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -145.09 94.17 2.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 127.471 2.308 . . . . 0.0 105.389 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.0 t -39.48 126.98 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.953 2.101 . . . . 0.0 114.118 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -59.32 -45.42 91.37 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.16 0.584 . . . . 0.0 110.905 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -77.8 -1.31 30.84 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -155.45 -30.33 0.1 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.382 1.446 . . . . 0.0 113.924 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.46 -42.23 2.01 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.701 1.143 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -59.44 141.96 53.49 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 117.517 0.659 . . . . 0.0 111.156 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -77.68 179.5 6.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.798 1.639 . . . . 0.0 113.952 -174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 -47.56 3.74 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.055 1.312 . . . . 0.0 111.968 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -114.76 165.62 12.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.048 1.339 . . . . 0.0 111.181 -174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -117.73 -175.55 2.85 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.429 1.092 . . . . 0.0 111.673 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.44 72.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.195 1.798 . . . . 0.0 113.158 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -64.62 -44.03 91.82 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.636 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -73.45 -26.22 60.83 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.483 1.113 . . . . 0.0 112.731 -175.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -44.7 -40.07 5.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 47.99 55.19 8.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.732 1.213 . . . . 0.0 110.713 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.04 155.99 72.57 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 126.579 1.952 . . . . 0.0 106.509 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -54.71 125.62 19.67 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.545 2.163 . . . . 0.0 109.341 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -89.17 167.32 13.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.414 0.686 . . . . 0.0 110.86 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -89.26 -176.3 5.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.797 0.839 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -50.35 0.72 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.646 1.578 . . . . 0.0 107.769 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.8 -173.72 11.73 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.069 0.842 . . . . 0.0 112.51 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.7 t -64.92 125.36 24.61 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.193 0.997 . . . . 0.0 111.62 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -68.04 -53.05 28.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.113 1.365 . . . . 0.0 111.078 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -66.56 -69.76 0.29 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.785 0.834 . . . . 0.0 111.981 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -30.27 54.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -174.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 -43.31 1.75 Allowed Glycine 0 C--N 1.341 0.848 0 CA-C-N 118.956 0.798 . . . . 0.0 113.183 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -55.25 139.08 43.56 Favored 'General case' 0 C--N 1.341 0.202 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -174.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -172.59 2.85 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.563 1.145 . . . . 0.0 111.091 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.02 4.65 72.98 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.653 0.644 . . . . 0.0 111.931 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -166.16 146.96 6.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.575 1.55 . . . . 0.0 108.046 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -86.33 170.12 12.33 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.85 -41.89 96.76 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.834 0.853 . . . . 0.0 110.149 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.65 -45.02 63.2 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.134 0.974 . . . . 0.0 110.788 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -75.41 -44.51 44.19 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.523 1.529 . . . . 0.0 111.867 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.5 t -38.75 141.35 0.28 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 128.594 2.758 . . . . 0.0 116.593 -173.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.3 p -135.82 41.21 2.71 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.776 1.631 . . . . 0.0 110.563 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -82.89 -83.67 0.13 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.3 mtm105 -142.8 84.34 1.84 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 174.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -62.42 125.6 24.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.698 0.799 . . . . 0.0 110.397 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.15 28.15 17.69 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.012 1.325 . . . . 0.0 112.364 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.689 1.596 . . . . 0.0 110.803 -179.629 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.988 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.216 2 O4'-C1'-N19 111.871 5.089 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.609 1 O4'-C1'-N19 113.311 6.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . 0.524 " H3'" ' H2 ' ' A' ' 12' ' ' ASN . . . . . . . . 0 C5'--C4' 1.536 3.183 0 O4'-C1'-N19 110.915 3.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 112.213 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C4'-C3' 108.661 3.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 1 C4'-C3'-C2' 97.971 -5.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 N19-C1'-C2' 120.209 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.482 2 O4'-C1'-N19 114.807 8.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 3 O4'-C1'-N19 119.319 14.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 1 O4'-C1'-N19 115.413 9.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 0 P-O3'-C3' 123.808 3.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.008 0 P-O3'-C3' 122.502 2.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.401 ' H2 ' " H3'" ' B' ' 104' ' ' ' DC' . 16.3 p-10 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m -141.02 179.37 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 125.115 1.366 . . . . 0.0 110.635 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.61 101.79 3.72 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.076 2.151 . . . . 0.0 105.666 173.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.25 126.49 14.93 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.492 1.517 . . . . 0.0 112.237 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.89 -45.7 86.01 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.842 0.457 . . . . 0.0 110.825 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.01 -23.91 63.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 p -144.62 -17.2 0.54 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.155 1.343 . . . . 0.0 114.53 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.33 -39.08 2.87 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.715 1.15 . . . . 0.0 111.92 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -59.61 143.17 51.19 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.392 0.677 . . . . 0.0 111.308 -174.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.07 -165.37 0.82 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.886 0.875 . . . . 0.0 111.114 -175.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.78 -51.88 3.49 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.867 1.223 . . . . 0.0 111.79 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -118.88 172.05 7.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.479 1.512 . . . . 0.0 112.325 -174.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.8 p -117.23 -178.53 3.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.63 1.572 . . . . 0.0 110.379 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.34 -46.03 25.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.691 1.996 . . . . 0.0 113.22 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -61.93 -55.01 34.0 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.474 1.11 . . . . 0.0 112.833 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -56.82 -46.02 81.91 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.417 0.553 . . . . 0.0 111.065 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -33.94 107.57 0.05 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.004 1.722 . . . . 0.0 113.826 -174.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -82.56 60.97 5.45 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 155.86 50.11 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 126.545 1.938 . . . . 0.0 106.592 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -54.84 129.78 37.01 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.135 2.556 . . . . 0.0 109.345 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 150.28 22.6 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.565 0.697 . . . . 0.0 109.143 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -89.12 132.18 34.93 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.991 1.716 . . . . 0.0 109.512 -173.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.21 -49.76 6.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.192 0.997 . . . . 0.0 109.38 -174.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.63 -168.48 7.68 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.949 0.785 . . . . 0.0 112.911 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.27 124.21 22.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.206 1.003 . . . . 0.0 111.394 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -68.11 -55.37 12.68 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.694 1.197 . . . . 0.0 110.918 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -68.66 -70.83 0.24 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.041 0.382 . . . . 0.0 111.316 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -28.04 67.39 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.1 -41.83 2.04 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 118.797 0.726 . . . . 0.0 112.504 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 130.24 45.16 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.608 0.763 . . . . 0.0 110.982 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.57 -172.26 3.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.158 0.583 . . . . 0.0 111.725 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.42 -38.2 3.24 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -174.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -123.53 153.14 41.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.265 1.826 . . . . 0.0 109.028 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -87.51 170.63 11.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.28 1.032 . . . . 0.0 109.364 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 41.8 ttp -63.26 -34.47 77.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.652 0.781 . . . . 0.0 110.318 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -59.5 -50.08 75.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.96 0.904 . . . . 0.0 109.987 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -66.93 -43.78 82.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.25 1.42 . . . . 0.0 111.792 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 t -31.35 129.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 128.705 2.802 . . . . 0.0 115.578 -174.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.0 p -113.5 -5.48 13.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.317 1.847 . . . . 0.0 110.459 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -72.85 -81.64 0.06 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.77 1.228 . . . . 0.0 110.562 -174.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.33 80.58 0.19 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.532 1.533 . . . . 0.0 109.404 -174.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 50.12 67.86 0.84 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.365 1.466 . . . . 0.0 110.497 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.08 68.46 3.23 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.113 0.965 . . . . 0.0 110.376 -177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.474 1.509 . . . . 0.0 107.441 -179.414 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.728 0 O4'-C1'-N19 110.252 3.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 1 O4'-C1'-N19 113.582 7.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 1 O4'-C1'-N19 112.09 5.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . 0.401 " H3'" ' H2 ' ' A' ' 12' ' ' ASN . . . . . . . . 0 C5'--C4' 1.534 2.912 1 O4'-C1'-N19 111.276 4.344 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 1 O4'-C1'-N19 113.026 6.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.901 0 N19-C1'-C2' 119.729 3.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.733 1 O4'-C1'-N19 114.127 7.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.1 2 O4'-C1'-N19 114.274 8.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 2 O4'-C1'-N19 117.882 12.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.483 1 O4'-C1'-N19 111.614 4.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 0 P-O3'-C3' 123.451 3.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.077 0 P-O3'-C3' 123.305 3.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p30 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.496 0.189 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.87 176.62 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.67 1.588 . . . . 0.0 109.255 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 116.78 11.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 125.916 1.686 . . . . 0.0 107.443 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -64.77 115.52 5.38 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ3' ' A' ' 37' ' ' TRP . 19.7 m-85 -56.16 -39.19 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.655 0.782 . . . . 0.0 110.286 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -79.29 -0.24 31.56 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.769 1.628 . . . . 0.0 114.108 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -159.08 -37.73 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.405 1.457 . . . . 0.0 113.576 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.67 -32.48 5.5 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.383 1.468 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.57 144.27 54.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 117.891 0.845 . . . . 0.0 110.266 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -81.62 -166.49 1.21 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.511 1.124 . . . . 0.0 110.817 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.45 -52.36 3.07 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.1 1.334 . . . . 0.0 112.236 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -115.02 167.42 10.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.231 1.412 . . . . 0.0 111.907 -174.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -113.87 180.0 3.8 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.618 1.167 . . . . 0.0 111.541 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.31 -51.28 14.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.159 1.784 . . . . 0.0 112.918 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -61.37 -43.98 97.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.568 0.347 . . . . 0.0 111.44 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.59 -36.41 82.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.11 0.964 . . . . 0.0 111.548 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -51.98 128.65 24.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.416 1.087 . . . . 0.0 113.025 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -84.18 66.89 9.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.9 157.72 33.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.075 1.35 . . . . 0.0 108.404 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.99 127.86 28.12 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.615 2.877 . . . . 0.0 110.13 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -89.2 124.44 34.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.966 0.889 . . . . 0.0 109.74 -174.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -89.77 112.38 23.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 127.068 2.147 . . . . 0.0 107.156 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -89.81 -30.14 18.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.216 1.007 . . . . 0.0 113.125 -174.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.48 -131.45 0.03 OUTLIER Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.761 1.648 . . . . 0.0 114.119 -174.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.2 102.14 14.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.252 -0.558 . . . . 0.0 110.194 176.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.46 ' CH2' ' C8 ' ' B' ' 107' ' ' ' DG' . 4.1 m0 -58.97 -35.93 73.99 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -68.17 -77.7 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.378 0.671 . . . . 0.0 111.388 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -40.0 34.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.379 -0.82 . . . . 0.0 112.442 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.1 -47.39 0.97 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 174.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.06 139.12 42.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.514 1.157 . . . . 0.0 113.366 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.59 -170.94 1.9 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.255 1.022 . . . . 0.0 110.737 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.59 -44.24 2.75 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -115.11 153.71 30.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.94 2.096 . . . . 0.0 108.294 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -82.25 172.1 13.51 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.544 0.338 . . . . 0.0 110.902 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.54 -46.19 89.59 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.418 -0.801 . . . . 0.0 110.947 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -48.78 -61.37 2.08 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.651 1.981 . . . . 0.0 111.247 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -50.49 -51.46 47.1 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.441 2.696 . . . . 0.0 112.993 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 t -31.34 131.23 0.11 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.592 2.357 . . . . 0.0 116.7 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.3 p -121.04 7.79 10.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.889 1.676 . . . . 0.0 112.556 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -52.65 -73.29 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.301 1.441 . . . . 0.0 109.445 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -176.36 65.18 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.754 2.422 . . . . 0.0 106.629 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.07 101.42 0.28 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.834 1.654 . . . . 0.0 108.993 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 58.55 47.57 13.18 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.517 1.127 . . . . 0.0 109.907 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.172 0 CA-C-O 116.378 -1.772 . . . . 0.0 109.347 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.271 1 O4'-C1'-N19 114.283 8.104 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 1 O4'-C1'-N19 113.22 6.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.964 0 P-O3'-C3' 123.414 3.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 113.037 6.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.071 0 N19-C1'-C2' 120.495 3.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.46 ' C8 ' ' CH2' ' A' ' 37' ' ' TRP . . . . . . . . 0 C5'--C4' 1.535 3.011 2 O4'-C1'-N19 113.134 6.667 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.591 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.104 1 O4'-C1'-N19 113.024 6.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.026 1 O4'-C1'-N19 116.521 10.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 1 O4'-C1'-N19 115.257 9.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 109.763 2.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.403 3.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.08 0 P-O3'-C3' 122.605 2.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.466 ' H2 ' ' P ' ' B' ' 104' ' ' ' DC' . 4.4 m120 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 p -95.6 108.38 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.505 0.722 . . . . 0.0 111.658 -175.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -57.15 115.26 2.55 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.959 0.903 . . . . 0.0 110.676 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.95 134.01 46.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.673 0.789 . . . . 0.0 111.113 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -66.91 -49.46 65.48 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.282 0.492 . . . . 0.0 110.294 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.42 -2.65 11.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -155.2 -31.13 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.023 1.283 . . . . 0.0 113.235 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.4 -44.78 1.42 Allowed Glycine 0 C--N 1.34 0.796 0 C-N-CA 124.11 0.862 . . . . 0.0 111.822 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.89 150.34 24.46 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -79.07 179.86 7.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.672 -174.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.74 -51.5 4.11 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.262 0.934 . . . . 0.0 112.07 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -112.05 164.51 13.07 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.408 1.083 . . . . 0.0 112.155 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -101.22 176.03 5.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.837 1.655 . . . . 0.0 110.895 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.49 -50.59 40.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.512 1.525 . . . . 0.0 111.823 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -68.36 -30.81 69.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -70.83 -48.47 53.85 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.289 0.495 . . . . 0.0 110.423 175.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -26.0 117.28 0.07 Allowed 'General case' 0 C--N 1.341 0.209 0 C-N-CA 127.606 2.362 . . . . 0.0 114.909 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -81.75 61.9 5.32 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.296 1.038 . . . . 0.0 109.325 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.15 22.22 Favored Pre-proline 0 N--CA 1.454 -0.227 0 C-N-CA 126.51 1.924 . . . . 0.0 106.469 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.4 130.08 38.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.363 2.709 . . . . 0.0 111.364 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.26 151.55 22.06 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -89.51 170.98 10.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.615 1.166 . . . . 0.0 108.019 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -117.35 -46.71 2.68 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.776 0.83 . . . . 0.0 110.685 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.36 -176.71 48.68 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.16 0.886 . . . . 0.0 112.191 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -40.19 120.55 1.21 Allowed 'General case' 0 C--N 1.344 0.336 0 C-N-CA 126.187 1.795 . . . . 0.0 112.362 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.321 0.51 . . . . 0.0 112.019 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -81.06 -73.44 0.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.454 0.702 . . . . 0.0 112.674 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.29 -24.92 63.12 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.056 0.843 . . . . 0.0 113.163 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.0 -39.81 2.68 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 118.882 0.765 . . . . 0.0 111.994 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -56.67 138.0 53.26 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.756 0.822 . . . . 0.0 111.923 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.89 -173.93 2.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.439 1.096 . . . . 0.0 111.063 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.24 -41.58 3.07 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.6 151.25 38.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.488 1.915 . . . . 0.0 108.907 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -95.2 174.57 6.99 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.252 0.621 . . . . 0.0 109.357 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -62.39 -43.37 98.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.804 0.841 . . . . 0.0 112.412 -174.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.24 -45.72 87.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.691 0.397 . . . . 0.0 110.677 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -66.55 -44.26 82.81 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.162 1.385 . . . . 0.0 112.514 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.6 t -29.71 137.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 129.586 3.154 . . . . 0.0 116.134 -173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.9 p -106.49 -26.44 11.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.54 1.536 . . . . 0.0 109.404 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -63.94 -77.26 0.06 Allowed 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.749 2.019 . . . . 0.0 110.366 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -147.48 106.86 3.9 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 126.273 1.829 . . . . 0.0 106.945 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -77.13 -46.41 23.55 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 126.452 1.901 . . . . 0.0 109.306 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.05 -173.51 1.63 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.9 1.28 . . . . 0.0 111.967 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.251 1.158 0 C-N-CA 126.653 1.981 . . . . 0.0 112.042 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.709 1 O4'-C1'-N19 111.773 4.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.07 0 C4'-C3'-C2' 99.33 -3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 2 O4'-C1'-N19 115.003 9.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . 0.466 ' P ' ' H2 ' ' A' ' 12' ' ' ASN . . . . . . . . 0 C5'--C4' 1.536 3.158 0 O4'-C1'-N19 110.289 3.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 112.69 6.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 N19-C1'-C2' 119.229 3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.523 " C4'" ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.389 -5.176 2 C4'-C3'-C2' 97.382 -5.818 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.523 ' H71' " C4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.545 4.272 1 O5'-C5'-C4' 116.108 4.22 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 1 O4'-C1'-N19 112.314 5.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.428 2 O4'-C1'-N19 119.725 14.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.517 0 P-O3'-C3' 122.519 2.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 113.055 6.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.216 0 P-O3'-C3' 123.561 3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.992 0 P-O3'-C3' 122.484 2.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.5 m120 . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 119.703 -0.189 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -145.11 164.61 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.97 0.908 . . . . 0.0 111.227 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 111.71 8.75 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.193 2.197 . . . . 0.0 105.753 173.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -57.7 126.9 29.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.444 1.098 . . . . 0.0 111.761 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.37 -44.71 95.81 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.168 0.509 . . . . 0.0 110.196 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -72.39 -3.77 26.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.511 1.524 . . . . 0.0 115.064 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -159.08 -29.55 0.07 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.444 1.475 . . . . 0.0 114.014 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.77 -44.41 1.51 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.073 1.321 . . . . 0.0 111.418 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.51 135.63 50.55 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.54 0.736 . . . . 0.0 111.183 -174.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -76.58 -178.38 4.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.233 1.413 . . . . 0.0 113.327 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.37 -57.35 4.74 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.722 1.153 . . . . 0.0 110.639 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -97.59 167.3 11.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.793 1.237 . . . . 0.0 110.621 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.4 p -117.03 -166.68 1.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.632 1.573 . . . . 0.0 109.459 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -55.04 39.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HB3' ' C4 ' ' B' ' 109' ' ' ' DT' . 6.8 ptt-85 -52.56 -51.98 57.16 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 123.776 0.83 . . . . 0.0 111.904 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -74.81 -1.01 20.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -174.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.0 t -85.2 114.41 22.29 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.641 0.776 . . . . 0.0 109.396 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -84.81 62.92 7.72 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.92 157.16 72.08 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 126.721 2.008 . . . . 0.0 107.063 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.88 122.33 11.62 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.063 2.508 . . . . 0.0 110.832 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 154.35 20.41 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -176.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.25 156.75 18.56 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.231 1.013 . . . . 0.0 112.944 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -89.97 -64.16 1.18 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.338 1.855 . . . . 0.0 108.572 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.51 -171.99 44.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 124.712 1.149 . . . . 0.0 113.456 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -32.09 114.37 0.14 Allowed 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 128.393 2.677 . . . . 0.0 112.961 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -63.95 -42.57 97.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.461 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -76.94 -75.2 0.21 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.737 -174.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -38.34 89.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.405 -175.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.0 -46.89 1.07 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.937 0.779 . . . . 0.0 113.416 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -52.8 135.81 35.0 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.49 1.516 . . . . 0.0 113.436 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.29 -169.19 2.41 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.245 0.618 . . . . 0.0 111.216 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.68 1.62 83.72 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -168.33 168.08 11.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.827 2.051 . . . . 0.0 107.721 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.38 166.03 11.67 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.293 0.637 . . . . 0.0 110.068 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -50.9 -40.04 55.84 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.478 1.511 . . . . 0.0 111.711 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -53.35 -44.67 68.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.794 1.238 . . . . 0.0 111.319 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -79.83 -47.05 15.78 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.682 1.993 . . . . 0.0 112.108 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.5 t -22.45 122.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.159 0 C-N-CA 130.105 3.362 . . . . 0.0 114.57 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -95.28 -13.31 24.95 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.91 1.684 . . . . 0.0 111.189 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.14 -58.62 3.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.742 1.217 . . . . 0.0 109.419 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 58.22 40.56 24.69 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.714 1.606 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -69.75 -24.68 63.57 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.795 1.238 . . . . 0.0 111.474 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.44 52.87 1.02 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 125.415 1.486 . . . . 0.0 109.73 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 116.305 -1.807 . . . . 0.0 109.635 -174.854 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.15 3 C4'-C3'-C2' 95.597 -7.603 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.511 0 O5'-C5'-C4' 113.126 2.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.628 4.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 O4'-C1'-N19 110.445 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 0 N19-C1'-C2' 119.565 3.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.242 1 C4'-C3'-C2' 97.696 -5.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.405 ' C5 ' ' C4 ' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.537 3.249 0 N19-C1'-C2' 118.644 2.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.461 ' C4 ' ' HB3' ' A' ' 26' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.991 1 O4'-C1'-N19 113.633 7.292 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.366 1 O4'-C1'-N19 119.6 14.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 1 O4'-C1'-N19 115.465 9.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 0 O4'-C1'-N19 110.479 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 P-O3'-C3' 122.896 2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.748 0 P-O3'-C3' 122.706 2.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 111.65 1.9 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.606 0.762 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.34 127.33 30.83 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.09 0.956 . . . . 0.0 110.182 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.38 -45.6 90.37 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.93 0.786 . . . . 0.0 110.906 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.89 -56.9 15.63 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.835 1.254 . . . . 0.0 111.849 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.93 -29.94 9.65 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -47.04 1.08 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.388 0.994 . . . . 0.0 111.029 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -55.68 141.55 37.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.971 0.908 . . . . 0.0 113.003 -174.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -78.72 177.56 8.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 126.231 1.812 . . . . 0.0 111.856 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.05 88.14 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.716 1.151 . . . . 0.0 113.903 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -167.92 167.54 12.76 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.196 0.998 . . . . 0.0 109.464 -175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.9 p -115.39 175.1 5.66 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.46 49.17 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 126.294 1.838 . . . . 0.0 112.162 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -61.55 -45.08 95.69 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.518 0.727 . . . . 0.0 111.943 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -65.92 -39.98 91.03 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.92 0.488 . . . . 0.0 112.054 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -40.91 118.98 1.06 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.753 2.021 . . . . 0.0 113.069 -174.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.46 66.87 6.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.93 149.46 7.98 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 125.827 1.651 . . . . 0.0 107.837 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.08 132.74 35.41 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.481 2.121 . . . . 0.0 109.216 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -89.69 171.28 9.77 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.349 0.66 . . . . 0.0 111.301 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -89.21 147.98 23.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.13 1.372 . . . . 0.0 110.156 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -89.54 -58.6 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.829 1.252 . . . . 0.0 108.078 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.28 -164.14 10.55 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 124.713 1.149 . . . . 0.0 113.616 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.0 127.14 30.11 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.716 1.206 . . . . 0.0 110.44 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.1 m0 -69.37 -56.2 8.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.749 0.419 . . . . 0.0 110.037 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.57 -68.24 0.42 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.229 0.612 . . . . 0.0 111.451 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -28.46 67.74 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -175.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 -45.17 1.36 Allowed Glycine 0 C--N 1.343 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 112.658 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.52 134.78 56.41 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.816 1.246 . . . . 0.0 111.615 -174.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.15 -172.97 3.86 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.886 0.475 . . . . 0.0 111.879 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.28 1.56 90.09 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.977 0.799 . . . . 0.0 111.335 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -167.75 151.19 6.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.597 1.559 . . . . 0.0 108.028 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -88.7 172.82 8.97 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.322 1.049 . . . . 0.0 109.856 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -61.42 -38.61 87.74 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.274 1.029 . . . . 0.0 109.737 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -54.96 -53.33 57.03 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 110.099 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.15 -42.71 83.89 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.706 1.603 . . . . 0.0 112.546 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.9 t -29.67 135.35 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 128.858 2.863 . . . . 0.0 114.888 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -113.91 -2.0 13.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 111.656 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 125.154 1.382 . . . . 0.0 109.875 -174.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.62 0.248 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 105.32 4.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.581 1.952 . . . . 0.0 105.918 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 t -47.6 127.6 11.6 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.282 1.833 . . . . 0.0 112.362 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -61.51 -46.9 88.04 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.855 0.462 . . . . 0.0 111.079 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.13 -30.8 69.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.602 1.561 . . . . 0.0 113.112 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -142.43 -26.16 0.63 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.51 -45.72 1.27 Allowed Glycine 0 C--N 1.34 0.752 0 C-N-CA 124.657 1.123 . . . . 0.0 111.268 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.29 135.33 49.97 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.656 0.782 . . . . 0.0 111.567 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -78.08 -164.72 0.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.863 1.665 . . . . 0.0 111.175 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.08 -57.9 3.6 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.515 1.531 . . . . 0.0 110.932 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -101.22 171.29 7.7 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.569 1.548 . . . . 0.0 110.434 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.9 p -118.48 -175.95 2.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.15 1.38 . . . . 0.0 108.787 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.77 -40.7 55.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.734 1.214 . . . . 0.0 112.913 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -65.4 -46.28 80.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.788 0.435 . . . . 0.0 111.75 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -73.55 -17.74 61.16 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.002 0.521 . . . . 0.0 111.18 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -79.63 98.25 6.85 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 122.548 0.339 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -85.99 59.58 5.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 163.17 33.5 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.542 1.537 . . . . 0.0 109.516 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.63 101.57 0.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.038 3.158 . . . . 0.0 111.647 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -91.75 177.45 6.19 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.798 0.839 . . . . 0.0 111.763 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.55 150.52 22.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.772 2.029 . . . . 0.0 106.853 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -89.38 -54.37 4.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.83 -150.35 12.04 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.188 1.375 . . . . 0.0 113.398 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 46' ' ' MET . 9.5 t -59.81 125.42 23.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.699 1.199 . . . . 0.0 110.886 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -64.89 -44.4 89.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.164 0.586 . . . . 0.0 111.135 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -73.5 -76.54 0.12 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.835 0.854 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.0 p -66.28 -40.72 90.28 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.248 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 115.3 -21.67 12.85 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 119.213 0.915 . . . . 0.0 114.071 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -80.22 145.42 32.25 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.443 1.097 . . . . 0.0 111.083 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.65 179.17 5.35 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.3 1.04 . . . . 0.0 112.733 -175.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.89 -39.26 3.05 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -119.14 148.81 42.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 126.239 1.816 . . . . 0.0 109.96 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.65 175.75 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.192 1.397 . . . . 0.0 108.051 174.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.473 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 16.0 tmm? -62.58 -39.13 92.72 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.725 0.81 . . . . 0.0 112.377 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.53 -42.75 99.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.205 1.002 . . . . 0.0 110.698 174.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.76 -46.0 59.87 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.063 1.345 . . . . 0.0 112.15 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 t -37.26 139.14 0.26 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.303 2.641 . . . . 0.0 114.923 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 t -139.08 42.08 2.09 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.724 1.21 . . . . 0.0 110.063 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -59.73 120.09 8.86 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 111.994 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.6 t -72.15 125.33 27.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.013 1.325 . . . . 0.0 109.87 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -57.72 -45.79 85.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.777 0.717 . . . . 0.0 111.727 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -61.21 -60.54 3.6 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.768 1.227 . . . . 0.0 113.37 -174.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.59 -25.54 13.54 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -174.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -47.84 1.02 Allowed Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.577 1.084 . . . . 0.0 111.251 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -53.92 133.49 43.03 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.038 1.335 . . . . 0.0 112.557 -174.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -74.01 -176.79 2.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.906 2.082 . . . . 0.0 112.808 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -55.73 4.08 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 124.956 1.265 . . . . 0.0 110.801 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -106.59 164.47 12.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.261 1.424 . . . . 0.0 108.565 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 p -110.87 176.62 4.96 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.813 0.845 . . . . 0.0 110.835 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.81 24.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 125.86 1.664 . . . . 0.0 112.622 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -31.43 68.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -95.99 -0.5 50.52 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.9 1.28 . . . . 0.0 112.342 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -68.11 120.57 14.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.155 0.582 . . . . 0.0 110.658 -175.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -82.01 64.41 6.68 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.01 159.75 21.8 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 125.541 1.537 . . . . 0.0 107.864 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.67 141.9 98.04 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.363 2.708 . . . . 0.0 110.674 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -175.65 4.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 110.524 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.95 175.86 7.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.302 1.441 . . . . 0.0 112.635 -174.258 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.82 -69.19 0.8 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.63 1.172 . . . . 0.0 109.829 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.56 -151.94 28.01 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.541 1.067 . . . . 0.0 112.446 -174.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.2 t -52.45 133.29 35.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.745 1.218 . . . . 0.0 110.737 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -65.24 -55.79 16.47 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 122.617 0.367 . . . . 0.0 111.498 -174.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.6 -70.22 0.49 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.35 0.26 . . . . 0.0 111.201 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -29.46 70.53 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.41 -41.58 2.12 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 118.855 0.752 . . . . 0.0 113.745 174.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -56.01 129.64 40.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.631 0.772 . . . . 0.0 112.955 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -179.0 7.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.445 1.098 . . . . 0.0 112.63 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.73 -0.86 85.32 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.036 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -165.31 162.52 19.76 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.266 1.427 . . . . 0.0 108.634 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.91 163.64 12.2 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.625 0.77 . . . . 0.0 110.609 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.0 ttp -50.79 -45.24 59.11 Favored 'General case' 0 N--CA 1.461 0.097 0 C-N-CA 125.741 1.616 . . . . 0.0 111.02 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -49.0 -65.9 0.49 Allowed 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 126.738 2.015 . . . . 0.0 110.597 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -49.98 -49.15 51.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.075 2.15 . . . . 0.0 112.56 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 141.99 56.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.461 1.504 . . . . 0.0 113.715 -174.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -125.4 25.59 7.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.713 1.605 . . . . 0.0 109.344 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 125.327 1.451 . . . . 0.0 109.371 179.446 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -124.79 116.22 21.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.514 1.926 . . . . 0.0 106.153 173.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.63 126.27 28.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.945 0.898 . . . . 0.0 111.731 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -64.53 -42.65 95.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.275 0.489 . . . . 0.0 109.822 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -74.07 -0.43 16.49 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -158.71 -29.91 0.07 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 120.187 1.358 . . . . 0.0 113.407 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.48 -43.46 1.68 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.001 1.286 . . . . 0.0 111.193 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.73 135.59 55.24 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.257 0.623 . . . . 0.0 110.916 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.31 178.22 8.44 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.725 1.21 . . . . 0.0 112.494 -174.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.42 85.11 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.487 1.041 . . . . 0.0 113.106 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -157.42 162.95 39.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.152 0.976 . . . . 0.0 109.769 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.0 p -105.02 -177.74 3.45 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.549 1.14 . . . . 0.0 111.598 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.67 69.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.896 1.678 . . . . 0.0 112.804 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.92 -38.92 66.7 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.801 0.728 . . . . 0.0 111.12 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.02 -38.38 73.06 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.944 1.298 . . . . 0.0 110.863 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -47.91 129.71 14.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.48 1.512 . . . . 0.0 112.92 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -82.58 62.12 6.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.885 0.874 . . . . 0.0 109.312 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.01 144.05 12.65 Favored Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 126.486 1.914 . . . . 0.0 106.094 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -51.66 140.92 45.04 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.569 2.846 . . . . 0.0 110.736 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 154.05 20.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.385 0.612 . . . . 0.0 109.802 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -89.32 130.73 35.66 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.81 1.644 . . . . 0.0 108.62 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -89.16 -40.09 13.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.459 1.104 . . . . 0.0 109.442 -174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.59 -160.8 6.54 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.619 0.628 . . . . 0.0 112.138 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.0 t -72.68 121.89 20.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.03 0.932 . . . . 0.0 110.453 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -61.45 -51.1 70.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.666 0.387 . . . . 0.0 111.942 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.65 -74.26 0.11 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.414 0.686 . . . . 0.0 111.904 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -20.99 55.61 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.21 -40.97 2.24 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 119.179 0.899 . . . . 0.0 111.526 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -50.83 131.53 26.28 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.47 1.108 . . . . 0.0 111.992 -174.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.62 -178.56 4.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.628 1.171 . . . . 0.0 112.351 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.8 6.19 86.95 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.03 -174.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -165.69 148.12 7.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.278 1.431 . . . . 0.0 108.217 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -84.06 169.73 14.62 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.377 0.671 . . . . 0.0 109.829 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -60.55 -43.3 97.38 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.73 0.812 . . . . 0.0 109.761 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -54.83 15.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 126.724 2.01 . . . . 0.0 110.585 173.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.2 -44.46 95.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.617 1.567 . . . . 0.0 112.171 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t -44.29 140.43 2.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 126.77 2.028 . . . . 0.0 114.883 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.6 p -108.7 -20.34 13.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.71 1.604 . . . . 0.0 111.57 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 125.715 1.606 . . . . 0.0 111.073 -176.808 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 110.21 19.66 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.399 1.08 . . . . 0.0 108.467 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -53.48 117.88 3.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.209 1.404 . . . . 0.0 112.91 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 42.9 m-85 -53.55 -39.74 64.98 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.153 0.581 . . . . 0.0 111.624 174.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -77.01 4.48 9.98 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -174.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -160.54 -48.84 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.006 1.275 . . . . 0.0 112.46 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.79 -35.9 3.15 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.098 1.332 . . . . 0.0 111.282 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -63.69 141.35 58.8 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 117.49 0.645 . . . . 0.0 110.438 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -85.99 -165.57 1.28 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.879 0.872 . . . . 0.0 111.693 -174.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.91 -5.55 17.4 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.945 1.259 . . . . 0.0 113.893 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -155.58 165.27 37.08 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.012 1.406 . . . . 0.0 112.566 -174.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -110.52 170.64 7.95 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 125.294 1.438 . . . . 0.0 111.729 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.54 52.42 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.365 1.466 . . . . 0.0 112.224 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.11 -42.55 93.86 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.454 1.101 . . . . 0.0 111.575 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.6 -31.88 57.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.563 1.145 . . . . 0.0 111.253 -176.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.2 t -52.29 122.26 8.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.352 1.061 . . . . 0.0 113.216 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -84.79 61.76 6.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.474 1.11 . . . . 0.0 108.416 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.49 157.03 36.86 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 125.163 1.385 . . . . 0.0 108.822 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.98 122.57 11.94 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.429 2.753 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 154.43 20.19 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-O 121.26 0.552 . . . . 0.0 109.923 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -89.59 178.82 6.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.898 1.279 . . . . 0.0 111.303 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.5 -56.69 1.5 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.595 1.558 . . . . 0.0 108.491 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.95 -170.46 13.76 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.462 1.03 . . . . 0.0 112.336 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 t -59.43 129.78 43.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.153 0.581 . . . . 0.0 111.477 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.404 ' CZ3' ' CD2' ' A' ' 16' ' ' PHE . 8.0 m0 -68.26 -50.39 54.11 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.813 0.845 . . . . 0.0 110.972 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -63.62 -72.29 0.14 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.915 0.886 . . . . 0.0 111.682 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -75.25 -28.41 59.83 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.07 -40.33 2.49 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 118.367 0.531 . . . . 0.0 111.852 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -58.91 141.81 52.5 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.717 0.807 . . . . 0.0 111.698 -174.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -98.59 -172.52 2.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.142 0.977 . . . . 0.0 110.88 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.17 3.06 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -118.36 151.82 37.0 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.531 1.933 . . . . 0.0 108.86 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -98.38 174.2 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.065 0.946 . . . . 0.0 109.058 174.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.09 -44.45 95.7 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.505 0.722 . . . . 0.0 111.73 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -52.49 -42.61 64.44 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.362 0.665 . . . . 0.0 110.877 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -72.19 -46.38 56.48 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.14 1.376 . . . . 0.0 112.17 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -41.85 140.6 0.99 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.173 2.589 . . . . 0.0 114.957 -173.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -124.91 -2.07 7.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.606 1.563 . . . . 0.0 112.081 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 . . . . . 0 C--N 1.342 0.279 0 C-N-CA 125.28 1.432 . . . . 0.0 111.162 -174.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.224 -0.25 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -145.09 94.17 2.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 127.471 2.308 . . . . 0.0 105.389 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.0 t -39.48 126.98 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.953 2.101 . . . . 0.0 114.118 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -59.32 -45.42 91.37 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.16 0.584 . . . . 0.0 110.905 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -77.8 -1.31 30.84 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -155.45 -30.33 0.1 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.382 1.446 . . . . 0.0 113.924 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.46 -42.23 2.01 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.701 1.143 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -59.44 141.96 53.49 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 117.517 0.659 . . . . 0.0 111.156 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -77.68 179.5 6.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.798 1.639 . . . . 0.0 113.952 -174.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 -47.56 3.74 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.055 1.312 . . . . 0.0 111.968 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -114.76 165.62 12.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.048 1.339 . . . . 0.0 111.181 -174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -117.73 -175.55 2.85 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.429 1.092 . . . . 0.0 111.673 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.44 72.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.195 1.798 . . . . 0.0 113.158 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -64.62 -44.03 91.82 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.636 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -73.45 -26.22 60.83 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.483 1.113 . . . . 0.0 112.731 -175.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -44.7 -40.07 5.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 47.99 55.19 8.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.732 1.213 . . . . 0.0 110.713 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.04 155.99 72.57 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 126.579 1.952 . . . . 0.0 106.509 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -54.71 125.62 19.67 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.545 2.163 . . . . 0.0 109.341 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -89.17 167.32 13.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.414 0.686 . . . . 0.0 110.86 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -89.26 -176.3 5.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.797 0.839 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -50.35 0.72 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.646 1.578 . . . . 0.0 107.769 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.8 -173.72 11.73 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.069 0.842 . . . . 0.0 112.51 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.7 t -64.92 125.36 24.61 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.193 0.997 . . . . 0.0 111.62 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -68.04 -53.05 28.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.113 1.365 . . . . 0.0 111.078 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -66.56 -69.76 0.29 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.785 0.834 . . . . 0.0 111.981 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -30.27 54.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -174.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 -43.31 1.75 Allowed Glycine 0 C--N 1.341 0.848 0 CA-C-N 118.956 0.798 . . . . 0.0 113.183 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -55.25 139.08 43.56 Favored 'General case' 0 C--N 1.341 0.202 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -174.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -172.59 2.85 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.563 1.145 . . . . 0.0 111.091 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.02 4.65 72.98 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.653 0.644 . . . . 0.0 111.931 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -166.16 146.96 6.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.575 1.55 . . . . 0.0 108.046 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -86.33 170.12 12.33 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.85 -41.89 96.76 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.834 0.853 . . . . 0.0 110.149 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.65 -45.02 63.2 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.134 0.974 . . . . 0.0 110.788 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -75.41 -44.51 44.19 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.523 1.529 . . . . 0.0 111.867 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.5 t -38.75 141.35 0.28 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 128.594 2.758 . . . . 0.0 116.593 -173.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.3 p -135.82 41.21 2.71 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.776 1.631 . . . . 0.0 110.563 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.615 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.687 0.28 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.61 101.79 3.72 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.076 2.151 . . . . 0.0 105.666 173.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.25 126.49 14.93 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.492 1.517 . . . . 0.0 112.237 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.89 -45.7 86.01 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.842 0.457 . . . . 0.0 110.825 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.01 -23.91 63.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 p -144.62 -17.2 0.54 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.155 1.343 . . . . 0.0 114.53 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.33 -39.08 2.87 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.715 1.15 . . . . 0.0 111.92 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -59.61 143.17 51.19 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.392 0.677 . . . . 0.0 111.308 -174.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.07 -165.37 0.82 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.886 0.875 . . . . 0.0 111.114 -175.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.78 -51.88 3.49 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.867 1.223 . . . . 0.0 111.79 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 48.3 p-80 -118.88 172.05 7.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.479 1.512 . . . . 0.0 112.325 -174.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.8 p -117.23 -178.53 3.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.63 1.572 . . . . 0.0 110.379 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.34 -46.03 25.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.691 1.996 . . . . 0.0 113.22 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -61.93 -55.01 34.0 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.474 1.11 . . . . 0.0 112.833 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 15.9 t-20 -56.82 -46.02 81.91 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.417 0.553 . . . . 0.0 111.065 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -33.94 107.57 0.05 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.004 1.722 . . . . 0.0 113.826 -174.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -82.56 60.97 5.45 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 155.86 50.11 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 126.545 1.938 . . . . 0.0 106.592 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -54.84 129.78 37.01 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.135 2.556 . . . . 0.0 109.345 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 150.28 22.6 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.565 0.697 . . . . 0.0 109.143 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -89.12 132.18 34.93 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.991 1.716 . . . . 0.0 109.512 -173.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.21 -49.76 6.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.192 0.997 . . . . 0.0 109.38 -174.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.63 -168.48 7.68 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.949 0.785 . . . . 0.0 112.911 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.27 124.21 22.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.206 1.003 . . . . 0.0 111.394 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -68.11 -55.37 12.68 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.694 1.197 . . . . 0.0 110.918 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -68.66 -70.83 0.24 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.041 0.382 . . . . 0.0 111.316 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -28.04 67.39 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.1 -41.83 2.04 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 118.797 0.726 . . . . 0.0 112.504 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 130.24 45.16 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.608 0.763 . . . . 0.0 110.982 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.57 -172.26 3.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.158 0.583 . . . . 0.0 111.725 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.42 -38.2 3.24 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -174.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -123.53 153.14 41.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.265 1.826 . . . . 0.0 109.028 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -87.51 170.63 11.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.28 1.032 . . . . 0.0 109.364 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 41.8 ttp -63.26 -34.47 77.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.652 0.781 . . . . 0.0 110.318 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -59.5 -50.08 75.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.96 0.904 . . . . 0.0 109.987 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -66.93 -43.78 82.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.25 1.42 . . . . 0.0 111.792 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 t -31.35 129.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 128.705 2.802 . . . . 0.0 115.578 -174.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.0 p -113.5 -5.48 13.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.317 1.847 . . . . 0.0 110.459 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--N 1.342 0.244 0 C-N-CA 124.77 1.228 . . . . 0.0 110.562 -174.831 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 116.78 11.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 125.916 1.686 . . . . 0.0 107.443 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -64.77 115.52 5.38 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ3' ' A' ' 37' ' ' TRP . 19.7 m-85 -56.16 -39.19 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.655 0.782 . . . . 0.0 110.286 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -79.29 -0.24 31.56 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.769 1.628 . . . . 0.0 114.108 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -159.08 -37.73 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.405 1.457 . . . . 0.0 113.576 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.67 -32.48 5.5 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.383 1.468 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.57 144.27 54.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 117.891 0.845 . . . . 0.0 110.266 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -81.62 -166.49 1.21 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.511 1.124 . . . . 0.0 110.817 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.45 -52.36 3.07 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.1 1.334 . . . . 0.0 112.236 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -115.02 167.42 10.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.231 1.412 . . . . 0.0 111.907 -174.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -113.87 180.0 3.8 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.618 1.167 . . . . 0.0 111.541 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.31 -51.28 14.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.159 1.784 . . . . 0.0 112.918 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -61.37 -43.98 97.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.568 0.347 . . . . 0.0 111.44 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.59 -36.41 82.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.11 0.964 . . . . 0.0 111.548 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -51.98 128.65 24.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.416 1.087 . . . . 0.0 113.025 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -84.18 66.89 9.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.9 157.72 33.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.075 1.35 . . . . 0.0 108.404 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.99 127.86 28.12 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.615 2.877 . . . . 0.0 110.13 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -89.2 124.44 34.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.966 0.889 . . . . 0.0 109.74 -174.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -89.77 112.38 23.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 127.068 2.147 . . . . 0.0 107.156 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -89.81 -30.14 18.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.216 1.007 . . . . 0.0 113.125 -174.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.48 -131.45 0.03 OUTLIER Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.761 1.648 . . . . 0.0 114.119 -174.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.2 102.14 14.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.252 -0.558 . . . . 0.0 110.194 176.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.425 ' CZ3' ' CZ ' ' A' ' 16' ' ' PHE . 4.1 m0 -58.97 -35.93 73.99 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -68.17 -77.7 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.378 0.671 . . . . 0.0 111.388 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -40.0 34.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.379 -0.82 . . . . 0.0 112.442 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.1 -47.39 0.97 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 174.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.06 139.12 42.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.514 1.157 . . . . 0.0 113.366 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.59 -170.94 1.9 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.255 1.022 . . . . 0.0 110.737 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.59 -44.24 2.75 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -115.11 153.71 30.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.94 2.096 . . . . 0.0 108.294 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -82.25 172.1 13.51 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.544 0.338 . . . . 0.0 110.902 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.54 -46.19 89.59 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.418 -0.801 . . . . 0.0 110.947 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -48.78 -61.37 2.08 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.651 1.981 . . . . 0.0 111.247 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -50.49 -51.46 47.1 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.441 2.696 . . . . 0.0 112.993 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 t -31.34 131.23 0.11 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.592 2.357 . . . . 0.0 116.7 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.3 p -121.04 7.79 10.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.889 1.676 . . . . 0.0 112.556 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 125.301 1.441 . . . . 0.0 109.445 176.213 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -57.15 115.26 2.55 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.959 0.903 . . . . 0.0 110.676 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.95 134.01 46.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.673 0.789 . . . . 0.0 111.113 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -66.91 -49.46 65.48 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.282 0.492 . . . . 0.0 110.294 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -69.42 -2.65 11.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -155.2 -31.13 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.023 1.283 . . . . 0.0 113.235 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.4 -44.78 1.42 Allowed Glycine 0 C--N 1.34 0.796 0 C-N-CA 124.11 0.862 . . . . 0.0 111.822 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.89 150.34 24.46 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -79.07 179.86 7.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.672 -174.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.74 -51.5 4.11 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.262 0.934 . . . . 0.0 112.07 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 46.3 p-80 -112.05 164.51 13.07 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.408 1.083 . . . . 0.0 112.155 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -101.22 176.03 5.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.837 1.655 . . . . 0.0 110.895 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.49 -50.59 40.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.512 1.525 . . . . 0.0 111.823 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -68.36 -30.81 69.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.51 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 9.1 t30 -70.83 -48.47 53.85 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.289 0.495 . . . . 0.0 110.423 175.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -26.0 117.28 0.07 Allowed 'General case' 0 C--N 1.341 0.209 0 C-N-CA 127.606 2.362 . . . . 0.0 114.909 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -81.75 61.9 5.32 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.296 1.038 . . . . 0.0 109.325 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.15 22.22 Favored Pre-proline 0 N--CA 1.454 -0.227 0 C-N-CA 126.51 1.924 . . . . 0.0 106.469 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.4 130.08 38.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.363 2.709 . . . . 0.0 111.364 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.26 151.55 22.06 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -89.51 170.98 10.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.615 1.166 . . . . 0.0 108.019 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -117.35 -46.71 2.68 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.776 0.83 . . . . 0.0 110.685 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.36 -176.71 48.68 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.16 0.886 . . . . 0.0 112.191 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -40.19 120.55 1.21 Allowed 'General case' 0 C--N 1.344 0.336 0 C-N-CA 126.187 1.795 . . . . 0.0 112.362 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.321 0.51 . . . . 0.0 112.019 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -81.06 -73.44 0.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.454 0.702 . . . . 0.0 112.674 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.29 -24.92 63.12 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.056 0.843 . . . . 0.0 113.163 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.0 -39.81 2.68 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 118.882 0.765 . . . . 0.0 111.994 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -56.67 138.0 53.26 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.756 0.822 . . . . 0.0 111.923 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.89 -173.93 2.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.439 1.096 . . . . 0.0 111.063 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.24 -41.58 3.07 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.6 151.25 38.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.488 1.915 . . . . 0.0 108.907 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -95.2 174.57 6.99 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.252 0.621 . . . . 0.0 109.357 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -62.39 -43.37 98.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.804 0.841 . . . . 0.0 112.412 -174.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.24 -45.72 87.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.691 0.397 . . . . 0.0 110.677 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -66.55 -44.26 82.81 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.162 1.385 . . . . 0.0 112.514 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.6 t -29.71 137.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 129.586 3.154 . . . . 0.0 116.134 -173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.9 p -106.49 -26.44 11.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.54 1.536 . . . . 0.0 109.404 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 . . . . . 0 N--CA 1.448 -0.562 0 C-N-CA 126.749 2.019 . . . . 0.0 110.366 -176.102 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.721 0.296 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 111.71 8.75 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.193 2.197 . . . . 0.0 105.753 173.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -57.7 126.9 29.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.444 1.098 . . . . 0.0 111.761 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.37 -44.71 95.81 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.168 0.509 . . . . 0.0 110.196 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -72.39 -3.77 26.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.511 1.524 . . . . 0.0 115.064 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -159.08 -29.55 0.07 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.444 1.475 . . . . 0.0 114.014 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.77 -44.41 1.51 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.073 1.321 . . . . 0.0 111.418 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.51 135.63 50.55 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.54 0.736 . . . . 0.0 111.183 -174.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -76.58 -178.38 4.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.233 1.413 . . . . 0.0 113.327 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.37 -57.35 4.74 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.722 1.153 . . . . 0.0 110.639 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 43.3 p-80 -97.59 167.3 11.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.793 1.237 . . . . 0.0 110.621 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.4 p -117.03 -166.68 1.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.632 1.573 . . . . 0.0 109.459 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -55.04 39.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -52.56 -51.98 57.16 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 123.776 0.83 . . . . 0.0 111.904 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.476 ' HB2' ' HB2' ' A' ' 23' ' ' HIS . 59.2 m-20 -74.81 -1.01 20.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -174.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.0 t -85.2 114.41 22.29 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.641 0.776 . . . . 0.0 109.396 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -84.81 62.92 7.72 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.92 157.16 72.08 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 126.721 2.008 . . . . 0.0 107.063 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.88 122.33 11.62 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.063 2.508 . . . . 0.0 110.832 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 154.35 20.41 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -176.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.25 156.75 18.56 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.231 1.013 . . . . 0.0 112.944 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -89.97 -64.16 1.18 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.338 1.855 . . . . 0.0 108.572 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.51 -171.99 44.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 124.712 1.149 . . . . 0.0 113.456 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -32.09 114.37 0.14 Allowed 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 128.393 2.677 . . . . 0.0 112.961 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -63.95 -42.57 97.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.461 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -76.94 -75.2 0.21 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.737 -174.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -38.34 89.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.405 -175.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.0 -46.89 1.07 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.937 0.779 . . . . 0.0 113.416 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -52.8 135.81 35.0 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.49 1.516 . . . . 0.0 113.436 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.29 -169.19 2.41 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.245 0.618 . . . . 0.0 111.216 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.68 1.62 83.72 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -168.33 168.08 11.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.827 2.051 . . . . 0.0 107.721 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.38 166.03 11.67 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.293 0.637 . . . . 0.0 110.068 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -50.9 -40.04 55.84 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.478 1.511 . . . . 0.0 111.711 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -53.35 -44.67 68.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.794 1.238 . . . . 0.0 111.319 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -79.83 -47.05 15.78 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.682 1.993 . . . . 0.0 112.108 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.5 t -22.45 122.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.159 0 C-N-CA 130.105 3.362 . . . . 0.0 114.57 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -95.28 -13.31 24.95 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.91 1.684 . . . . 0.0 111.189 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.452 -0.339 0 C-N-CA 124.742 1.217 . . . . 0.0 109.419 -174.622 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.671 -0.204 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.86 111.22 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 111.65 1.9 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.606 0.762 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.34 127.33 30.83 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.09 0.956 . . . . 0.0 110.182 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.38 -45.6 90.37 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.93 0.786 . . . . 0.0 110.906 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.89 -56.9 15.63 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.835 1.254 . . . . 0.0 111.849 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.93 -29.94 9.65 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -47.04 1.08 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.388 0.994 . . . . 0.0 111.029 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -55.68 141.55 37.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.971 0.908 . . . . 0.0 113.003 -174.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -78.72 177.56 8.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 126.231 1.812 . . . . 0.0 111.856 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.05 88.14 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.716 1.151 . . . . 0.0 113.903 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -167.92 167.54 12.76 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.196 0.998 . . . . 0.0 109.464 -175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' H73' ' B' ' 106' ' ' ' DT' . 40.9 p -115.39 175.1 5.66 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -174.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.46 49.17 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 126.294 1.838 . . . . 0.0 112.162 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -61.55 -45.08 95.69 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.518 0.727 . . . . 0.0 111.943 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -65.92 -39.98 91.03 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.92 0.488 . . . . 0.0 112.054 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -40.91 118.98 1.06 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.753 2.021 . . . . 0.0 113.069 -174.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.46 66.87 6.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.93 149.46 7.98 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 125.827 1.651 . . . . 0.0 107.837 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.08 132.74 35.41 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.481 2.121 . . . . 0.0 109.216 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -89.69 171.28 9.77 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.349 0.66 . . . . 0.0 111.301 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -89.21 147.98 23.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.13 1.372 . . . . 0.0 110.156 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -89.54 -58.6 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.829 1.252 . . . . 0.0 108.078 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.28 -164.14 10.55 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 124.713 1.149 . . . . 0.0 113.616 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.0 127.14 30.11 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.716 1.206 . . . . 0.0 110.44 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.1 m0 -69.37 -56.2 8.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.749 0.419 . . . . 0.0 110.037 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.57 -68.24 0.42 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.229 0.612 . . . . 0.0 111.451 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -28.46 67.74 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -175.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 -45.17 1.36 Allowed Glycine 0 C--N 1.343 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 112.658 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.52 134.78 56.41 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.816 1.246 . . . . 0.0 111.615 -174.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.15 -172.97 3.86 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.886 0.475 . . . . 0.0 111.879 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.28 1.56 90.09 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.977 0.799 . . . . 0.0 111.335 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -167.75 151.19 6.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.597 1.559 . . . . 0.0 108.028 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -88.7 172.82 8.97 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.322 1.049 . . . . 0.0 109.856 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -61.42 -38.61 87.74 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.274 1.029 . . . . 0.0 109.737 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -54.96 -53.33 57.03 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 110.099 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.15 -42.71 83.89 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.706 1.603 . . . . 0.0 112.546 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.9 t -29.67 135.35 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 128.858 2.863 . . . . 0.0 114.888 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -113.91 -2.0 13.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 111.656 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -72.9 -100.36 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.154 1.382 . . . . 0.0 109.875 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -95.74 66.8 2.72 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -92.41 112.21 24.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.482 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.53 -49.5 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.838 1.255 . . . . 0.0 108.849 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 117.166 -1.397 . . . . 0.0 107.7 176.207 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.403 " H1'" ' C5 ' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.6 1 O4'-C1'-C2' 101.438 -4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.758 0 O4'-C1'-N19 110.762 3.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.403 ' C5 ' " H1'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.981 0 O4'-C1'-C2' 102.001 -3.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 1 O4'-C1'-N19 112.873 6.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . 0.421 " H1'" HG21 ' A' ' 24' ' ' THR . . . . . . . . 0 C5'--C4' 1.539 3.478 0 O4'-C1'-N19 110.788 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.503 ' H73' HG22 ' A' ' 24' ' ' THR . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.737 1 O4'-C1'-N19 112.749 6.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 1 O4'-C1'-N19 111.573 4.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 3 O4'-C1'-N19 113.858 7.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.179 2 O4'-C1'-N19 111.763 4.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.41 2 O4'-C1'-N19 114.725 8.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 112.095 5.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 2 O4'-C1'-N19 112.182 5.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.144 0 P-O3'-C3' 122.595 2.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -136.47 163.91 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.735 1.214 . . . . 0.0 110.77 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 105.32 4.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.581 1.952 . . . . 0.0 105.918 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 t -47.6 127.6 11.6 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.282 1.833 . . . . 0.0 112.362 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -61.51 -46.9 88.04 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.855 0.462 . . . . 0.0 111.079 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.13 -30.8 69.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.602 1.561 . . . . 0.0 113.112 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -142.43 -26.16 0.63 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.51 -45.72 1.27 Allowed Glycine 0 C--N 1.34 0.752 0 C-N-CA 124.657 1.123 . . . . 0.0 111.268 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.29 135.33 49.97 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.656 0.782 . . . . 0.0 111.567 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -78.08 -164.72 0.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.863 1.665 . . . . 0.0 111.175 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.08 -57.9 3.6 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.515 1.531 . . . . 0.0 110.932 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -101.22 171.29 7.7 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.569 1.548 . . . . 0.0 110.434 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.9 p -118.48 -175.95 2.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.15 1.38 . . . . 0.0 108.787 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.77 -40.7 55.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.734 1.214 . . . . 0.0 112.913 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -65.4 -46.28 80.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.788 0.435 . . . . 0.0 111.75 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -73.55 -17.74 61.16 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.002 0.521 . . . . 0.0 111.18 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -79.63 98.25 6.85 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 122.548 0.339 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -85.99 59.58 5.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 163.17 33.5 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.542 1.537 . . . . 0.0 109.516 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.63 101.57 0.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.038 3.158 . . . . 0.0 111.647 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -91.75 177.45 6.19 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.798 0.839 . . . . 0.0 111.763 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.55 150.52 22.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.772 2.029 . . . . 0.0 106.853 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -89.38 -54.37 4.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.83 -150.35 12.04 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.188 1.375 . . . . 0.0 113.398 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 46' ' ' MET . 9.5 t -59.81 125.42 23.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.699 1.199 . . . . 0.0 110.886 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -64.89 -44.4 89.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.164 0.586 . . . . 0.0 111.135 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -73.5 -76.54 0.12 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.835 0.854 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.0 p -66.28 -40.72 90.28 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.248 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 115.3 -21.67 12.85 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 119.213 0.915 . . . . 0.0 114.071 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -80.22 145.42 32.25 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.443 1.097 . . . . 0.0 111.083 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.65 179.17 5.35 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.3 1.04 . . . . 0.0 112.733 -175.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.89 -39.26 3.05 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -119.14 148.81 42.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 126.239 1.816 . . . . 0.0 109.96 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.65 175.75 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.192 1.397 . . . . 0.0 108.051 174.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.473 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 16.0 tmm? -62.58 -39.13 92.72 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.725 0.81 . . . . 0.0 112.377 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.53 -42.75 99.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.205 1.002 . . . . 0.0 110.698 174.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.76 -46.0 59.87 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.063 1.345 . . . . 0.0 112.15 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 t -37.26 139.14 0.26 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.303 2.641 . . . . 0.0 114.923 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 t -139.08 42.08 2.09 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.724 1.21 . . . . 0.0 110.063 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -79.79 -103.89 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -155.93 56.98 0.6 Allowed 'General case' 0 C--N 1.338 0.077 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -61.94 -43.78 98.14 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.672 -174.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.24 66.92 8.05 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 116.967 -1.492 . . . . 0.0 110.978 -174.802 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.096 3 C4'-C3'-C2' 95.539 -7.661 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.011 1 C4'-C3'-C2' 98.194 -5.006 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 1 O4'-C1'-N19 113.425 7.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.768 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 0 O4'-C1'-N19 110.334 3.168 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 P-O3'-C3' 122.721 2.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 3 O4'-C1'-N19 112.561 5.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.294 0 N19-C1'-C2' 119.793 3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.292 2 O4'-C1'-N19 114.827 8.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 2 O4'-C1'-N19 119.185 14.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.394 1 O4'-C1'-N19 114.53 8.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 P-O3'-C3' 123.109 2.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 0 P-O3'-C3' 123.298 2.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 0 P-O3'-C3' 122.614 2.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -163.69 103.41 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.978 1.311 . . . . 0.0 107.667 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -59.73 120.09 8.86 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 111.994 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.6 t -72.15 125.33 27.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.013 1.325 . . . . 0.0 109.87 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -57.72 -45.79 85.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.777 0.717 . . . . 0.0 111.727 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -61.21 -60.54 3.6 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.768 1.227 . . . . 0.0 113.37 -174.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.59 -25.54 13.54 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -174.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -47.84 1.02 Allowed Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.577 1.084 . . . . 0.0 111.251 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -53.92 133.49 43.03 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.038 1.335 . . . . 0.0 112.557 -174.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -74.01 -176.79 2.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.906 2.082 . . . . 0.0 112.808 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -55.73 4.08 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 124.956 1.265 . . . . 0.0 110.801 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -106.59 164.47 12.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.261 1.424 . . . . 0.0 108.565 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 p -110.87 176.62 4.96 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.813 0.845 . . . . 0.0 110.835 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.81 24.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 125.86 1.664 . . . . 0.0 112.622 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -31.43 68.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -95.99 -0.5 50.52 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.9 1.28 . . . . 0.0 112.342 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -68.11 120.57 14.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.155 0.582 . . . . 0.0 110.658 -175.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -82.01 64.41 6.68 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.01 159.75 21.8 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 125.541 1.537 . . . . 0.0 107.864 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.67 141.9 98.04 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.363 2.708 . . . . 0.0 110.674 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -175.65 4.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 110.524 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.95 175.86 7.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.302 1.441 . . . . 0.0 112.635 -174.258 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.82 -69.19 0.8 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.63 1.172 . . . . 0.0 109.829 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.56 -151.94 28.01 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.541 1.067 . . . . 0.0 112.446 -174.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.2 t -52.45 133.29 35.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.745 1.218 . . . . 0.0 110.737 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -65.24 -55.79 16.47 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 122.617 0.367 . . . . 0.0 111.498 -174.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.6 -70.22 0.49 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.35 0.26 . . . . 0.0 111.201 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -29.46 70.53 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.41 -41.58 2.12 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 118.855 0.752 . . . . 0.0 113.745 174.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -56.01 129.64 40.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.631 0.772 . . . . 0.0 112.955 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -179.0 7.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.445 1.098 . . . . 0.0 112.63 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.73 -0.86 85.32 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.036 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -165.31 162.52 19.76 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.266 1.427 . . . . 0.0 108.634 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.91 163.64 12.2 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.625 0.77 . . . . 0.0 110.609 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.0 ttp -50.79 -45.24 59.11 Favored 'General case' 0 N--CA 1.461 0.097 0 C-N-CA 125.741 1.616 . . . . 0.0 111.02 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -49.0 -65.9 0.49 Allowed 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 126.738 2.015 . . . . 0.0 110.597 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -49.98 -49.15 51.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.075 2.15 . . . . 0.0 112.56 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 141.99 56.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.461 1.504 . . . . 0.0 113.715 -174.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -125.4 25.59 7.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.713 1.605 . . . . 0.0 109.344 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -69.72 -81.26 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.327 1.451 . . . . 0.0 109.371 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -131.82 71.43 1.47 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.714 1.206 . . . . 0.0 109.32 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -72.47 -79.98 0.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.86 49.5 1.83 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.574 0.75 . . . . 0.0 110.239 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.254 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.639 0 O4'-C1'-N19 110.823 3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.759 3 O4'-C1'-N19 113.458 7.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 1 O4'-C1'-N19 112.513 5.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.653 0 O4'-C1'-N19 109.93 2.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 1 O4'-C1'-N19 112.523 5.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 O4'-C4'-C3' 108.99 3.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 1 C4'-C3'-C2' 98.304 -4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 3 O4'-C1'-N19 112.825 6.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.664 2 O4'-C1'-N19 114.899 8.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 1 O4'-C1'-N19 111.529 4.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.849 3.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.365 4.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.867 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.1 m120 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -147.0 157.06 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.81 1.244 . . . . 0.0 110.143 -174.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -124.79 116.22 21.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.514 1.926 . . . . 0.0 106.153 173.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.63 126.27 28.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.945 0.898 . . . . 0.0 111.731 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -64.53 -42.65 95.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.275 0.489 . . . . 0.0 109.822 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -74.07 -0.43 16.49 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -158.71 -29.91 0.07 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 120.187 1.358 . . . . 0.0 113.407 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.48 -43.46 1.68 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.001 1.286 . . . . 0.0 111.193 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.73 135.59 55.24 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.257 0.623 . . . . 0.0 110.916 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.31 178.22 8.44 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.725 1.21 . . . . 0.0 112.494 -174.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.42 85.11 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.487 1.041 . . . . 0.0 113.106 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -157.42 162.95 39.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.152 0.976 . . . . 0.0 109.769 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.0 p -105.02 -177.74 3.45 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.549 1.14 . . . . 0.0 111.598 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.67 69.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.896 1.678 . . . . 0.0 112.804 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.92 -38.92 66.7 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.801 0.728 . . . . 0.0 111.12 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.02 -38.38 73.06 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.944 1.298 . . . . 0.0 110.863 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -47.91 129.71 14.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.48 1.512 . . . . 0.0 112.92 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -82.58 62.12 6.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.885 0.874 . . . . 0.0 109.312 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.01 144.05 12.65 Favored Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 126.486 1.914 . . . . 0.0 106.094 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -51.66 140.92 45.04 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.569 2.846 . . . . 0.0 110.736 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 154.05 20.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.385 0.612 . . . . 0.0 109.802 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -89.32 130.73 35.66 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.81 1.644 . . . . 0.0 108.62 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -89.16 -40.09 13.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.459 1.104 . . . . 0.0 109.442 -174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.59 -160.8 6.54 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.619 0.628 . . . . 0.0 112.138 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.0 t -72.68 121.89 20.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.03 0.932 . . . . 0.0 110.453 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -61.45 -51.1 70.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.666 0.387 . . . . 0.0 111.942 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.65 -74.26 0.11 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.414 0.686 . . . . 0.0 111.904 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -20.99 55.61 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.21 -40.97 2.24 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 119.179 0.899 . . . . 0.0 111.526 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -50.83 131.53 26.28 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.47 1.108 . . . . 0.0 111.992 -174.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.62 -178.56 4.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.628 1.171 . . . . 0.0 112.351 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.8 6.19 86.95 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.03 -174.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -165.69 148.12 7.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.278 1.431 . . . . 0.0 108.217 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -84.06 169.73 14.62 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.377 0.671 . . . . 0.0 109.829 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -60.55 -43.3 97.38 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.73 0.812 . . . . 0.0 109.761 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -54.83 15.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 126.724 2.01 . . . . 0.0 110.585 173.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.2 -44.46 95.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.617 1.567 . . . . 0.0 112.171 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t -44.29 140.43 2.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 126.77 2.028 . . . . 0.0 114.883 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.6 p -108.7 -20.34 13.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.71 1.604 . . . . 0.0 111.57 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.64 -73.68 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.715 1.606 . . . . 0.0 111.073 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -158.21 100.95 1.71 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.418 1.887 . . . . 0.0 106.67 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.95 -170.92 2.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.702 0.801 . . . . 0.0 110.922 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -154.61 -36.26 0.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.314 1.045 . . . . 0.0 111.746 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t30 . . . . . 0 C--O 1.25 1.104 0 C-N-CA 125.315 1.446 . . . . 0.0 109.128 -174.906 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.658 1 O4'-C1'-C2' 101.452 -4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.654 0 O4'-C1'-N19 109.94 2.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-C2' 101.963 -3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.838 0 P-O3'-C3' 123.343 3.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 1 O4'-C1'-N19 112.751 6.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 1 O4'-C1'-N19 111.353 4.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.84 5.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 P-O3'-C3' 123.194 2.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 4 O4'-C1'-N19 115.737 9.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 119.444 14.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.257 1 O4'-C1'-N19 113.17 6.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 1 O4'-C1'-N19 113.112 6.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.301 1 O4'-C1'-N19 114.309 8.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 0 P-O3'-C3' 122.447 2.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 p -155.15 147.28 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.655 1.182 . . . . 0.0 108.234 -174.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 110.21 19.66 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.399 1.08 . . . . 0.0 108.467 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -53.48 117.88 3.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.209 1.404 . . . . 0.0 112.91 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 42.9 m-85 -53.55 -39.74 64.98 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.153 0.581 . . . . 0.0 111.624 174.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -77.01 4.48 9.98 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -174.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -160.54 -48.84 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.006 1.275 . . . . 0.0 112.46 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.79 -35.9 3.15 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.098 1.332 . . . . 0.0 111.282 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -63.69 141.35 58.8 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 117.49 0.645 . . . . 0.0 110.438 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -85.99 -165.57 1.28 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.879 0.872 . . . . 0.0 111.693 -174.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.91 -5.55 17.4 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.945 1.259 . . . . 0.0 113.893 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -155.58 165.27 37.08 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.012 1.406 . . . . 0.0 112.566 -174.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -110.52 170.64 7.95 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 125.294 1.438 . . . . 0.0 111.729 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.54 52.42 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.365 1.466 . . . . 0.0 112.224 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.11 -42.55 93.86 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.454 1.101 . . . . 0.0 111.575 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.6 -31.88 57.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.563 1.145 . . . . 0.0 111.253 -176.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.2 t -52.29 122.26 8.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.352 1.061 . . . . 0.0 113.216 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -84.79 61.76 6.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.474 1.11 . . . . 0.0 108.416 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.49 157.03 36.86 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 125.163 1.385 . . . . 0.0 108.822 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.98 122.57 11.94 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.429 2.753 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 154.43 20.19 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-O 121.26 0.552 . . . . 0.0 109.923 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -89.59 178.82 6.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.898 1.279 . . . . 0.0 111.303 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.5 -56.69 1.5 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.595 1.558 . . . . 0.0 108.491 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.95 -170.46 13.76 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.462 1.03 . . . . 0.0 112.336 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 t -59.43 129.78 43.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.153 0.581 . . . . 0.0 111.477 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.404 ' CZ3' ' CD2' ' A' ' 16' ' ' PHE . 8.0 m0 -68.26 -50.39 54.11 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.813 0.845 . . . . 0.0 110.972 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -63.62 -72.29 0.14 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.915 0.886 . . . . 0.0 111.682 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -75.25 -28.41 59.83 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.07 -40.33 2.49 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 118.367 0.531 . . . . 0.0 111.852 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -58.91 141.81 52.5 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.717 0.807 . . . . 0.0 111.698 -174.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -98.59 -172.52 2.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.142 0.977 . . . . 0.0 110.88 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.17 3.06 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -118.36 151.82 37.0 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.531 1.933 . . . . 0.0 108.86 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -98.38 174.2 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.065 0.946 . . . . 0.0 109.058 174.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.09 -44.45 95.7 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.505 0.722 . . . . 0.0 111.73 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -52.49 -42.61 64.44 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.362 0.665 . . . . 0.0 110.877 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -72.19 -46.38 56.48 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.14 1.376 . . . . 0.0 112.17 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -41.85 140.6 0.99 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.173 2.589 . . . . 0.0 114.957 -173.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -124.91 -2.07 7.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.606 1.563 . . . . 0.0 112.081 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.93 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.342 0.279 0 C-N-CA 125.28 1.432 . . . . 0.0 111.162 -174.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -145.96 77.44 1.49 Allowed 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.654 1.182 . . . . 0.0 108.834 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -74.23 -39.91 62.75 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.048 0.539 . . . . 0.0 109.927 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.03 102.95 4.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 174.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.497 -1.239 . . . . 0.0 110.441 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.577 0 N19-C1'-C2' 118.376 2.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 0 O4'-C1'-N19 109.732 2.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 1 O4'-C1'-N19 113.818 7.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 P-O3'-C3' 122.561 2.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.439 1 O4'-C1'-N19 112.211 5.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.038 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 1 C4'-C3'-C2' 97.402 -5.798 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.162 0 N19-C1'-C2' 119.349 3.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 1 O4'-C1'-N19 114.931 8.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.187 2 O4'-C1'-N19 118.314 13.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 1 O4'-C1'-N19 112.303 5.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.463 0 P-O3'-C3' 124.132 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.798 1 O4'-C1'-N19 112.807 6.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 1 P-O3'-C3' 127.365 6.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.539 0.209 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.3 m -120.09 172.84 6.65 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 C-N-CA 125.483 1.513 . . . . 0.0 110.372 -175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -145.09 94.17 2.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 127.471 2.308 . . . . 0.0 105.389 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.0 t -39.48 126.98 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.953 2.101 . . . . 0.0 114.118 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -59.32 -45.42 91.37 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.16 0.584 . . . . 0.0 110.905 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -77.8 -1.31 30.84 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -155.45 -30.33 0.1 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.382 1.446 . . . . 0.0 113.924 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.46 -42.23 2.01 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.701 1.143 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -59.44 141.96 53.49 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 117.517 0.659 . . . . 0.0 111.156 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -77.68 179.5 6.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.798 1.639 . . . . 0.0 113.952 -174.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 -47.56 3.74 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.055 1.312 . . . . 0.0 111.968 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -114.76 165.62 12.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.048 1.339 . . . . 0.0 111.181 -174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -117.73 -175.55 2.85 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.429 1.092 . . . . 0.0 111.673 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.44 72.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.195 1.798 . . . . 0.0 113.158 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -64.62 -44.03 91.82 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.636 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -73.45 -26.22 60.83 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.483 1.113 . . . . 0.0 112.731 -175.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -44.7 -40.07 5.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 47.99 55.19 8.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.732 1.213 . . . . 0.0 110.713 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.04 155.99 72.57 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 126.579 1.952 . . . . 0.0 106.509 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -54.71 125.62 19.67 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.545 2.163 . . . . 0.0 109.341 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -89.17 167.32 13.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.414 0.686 . . . . 0.0 110.86 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -89.26 -176.3 5.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.797 0.839 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -50.35 0.72 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.646 1.578 . . . . 0.0 107.769 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.8 -173.72 11.73 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.069 0.842 . . . . 0.0 112.51 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.7 t -64.92 125.36 24.61 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.193 0.997 . . . . 0.0 111.62 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -68.04 -53.05 28.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.113 1.365 . . . . 0.0 111.078 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -66.56 -69.76 0.29 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.785 0.834 . . . . 0.0 111.981 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -30.27 54.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -174.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 -43.31 1.75 Allowed Glycine 0 C--N 1.341 0.848 0 CA-C-N 118.956 0.798 . . . . 0.0 113.183 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -55.25 139.08 43.56 Favored 'General case' 0 C--N 1.341 0.202 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -174.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -172.59 2.85 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.563 1.145 . . . . 0.0 111.091 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.02 4.65 72.98 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.653 0.644 . . . . 0.0 111.931 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -166.16 146.96 6.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.575 1.55 . . . . 0.0 108.046 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -86.33 170.12 12.33 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.85 -41.89 96.76 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.834 0.853 . . . . 0.0 110.149 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.65 -45.02 63.2 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.134 0.974 . . . . 0.0 110.788 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -75.41 -44.51 44.19 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.523 1.529 . . . . 0.0 111.867 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.5 t -38.75 141.35 0.28 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 128.594 2.758 . . . . 0.0 116.593 -173.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.3 p -135.82 41.21 2.71 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.776 1.631 . . . . 0.0 110.563 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -82.89 -83.67 0.13 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.3 mtm105 -142.8 84.34 1.84 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 174.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -62.42 125.6 24.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.698 0.799 . . . . 0.0 110.397 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.15 28.15 17.69 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.012 1.325 . . . . 0.0 112.364 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.689 1.596 . . . . 0.0 110.803 -179.629 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.988 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.216 2 O4'-C1'-N19 111.871 5.089 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.609 1 O4'-C1'-N19 113.311 6.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 0 O4'-C1'-N19 110.915 3.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 112.213 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C4'-C3' 108.661 3.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 1 C4'-C3'-C2' 97.971 -5.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 N19-C1'-C2' 120.209 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.482 2 O4'-C1'-N19 114.807 8.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 3 O4'-C1'-N19 119.319 14.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 1 O4'-C1'-N19 115.413 9.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 0 P-O3'-C3' 123.808 3.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.008 0 P-O3'-C3' 122.502 2.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m -141.02 179.37 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 125.115 1.366 . . . . 0.0 110.635 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.61 101.79 3.72 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.076 2.151 . . . . 0.0 105.666 173.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.25 126.49 14.93 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.492 1.517 . . . . 0.0 112.237 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.89 -45.7 86.01 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.842 0.457 . . . . 0.0 110.825 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.01 -23.91 63.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 p -144.62 -17.2 0.54 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.155 1.343 . . . . 0.0 114.53 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.33 -39.08 2.87 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.715 1.15 . . . . 0.0 111.92 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -59.61 143.17 51.19 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.392 0.677 . . . . 0.0 111.308 -174.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.07 -165.37 0.82 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.886 0.875 . . . . 0.0 111.114 -175.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.78 -51.88 3.49 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.867 1.223 . . . . 0.0 111.79 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 48.3 p-80 -118.88 172.05 7.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.479 1.512 . . . . 0.0 112.325 -174.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.8 p -117.23 -178.53 3.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.63 1.572 . . . . 0.0 110.379 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.34 -46.03 25.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.691 1.996 . . . . 0.0 113.22 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -61.93 -55.01 34.0 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.474 1.11 . . . . 0.0 112.833 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 15.9 t-20 -56.82 -46.02 81.91 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.417 0.553 . . . . 0.0 111.065 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -33.94 107.57 0.05 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.004 1.722 . . . . 0.0 113.826 -174.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -82.56 60.97 5.45 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 155.86 50.11 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 126.545 1.938 . . . . 0.0 106.592 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -54.84 129.78 37.01 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.135 2.556 . . . . 0.0 109.345 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 150.28 22.6 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.565 0.697 . . . . 0.0 109.143 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -89.12 132.18 34.93 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.991 1.716 . . . . 0.0 109.512 -173.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.21 -49.76 6.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.192 0.997 . . . . 0.0 109.38 -174.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.63 -168.48 7.68 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.949 0.785 . . . . 0.0 112.911 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.27 124.21 22.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.206 1.003 . . . . 0.0 111.394 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -68.11 -55.37 12.68 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.694 1.197 . . . . 0.0 110.918 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -68.66 -70.83 0.24 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.041 0.382 . . . . 0.0 111.316 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -28.04 67.39 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.1 -41.83 2.04 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 118.797 0.726 . . . . 0.0 112.504 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 130.24 45.16 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.608 0.763 . . . . 0.0 110.982 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.57 -172.26 3.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.158 0.583 . . . . 0.0 111.725 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.42 -38.2 3.24 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -174.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -123.53 153.14 41.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.265 1.826 . . . . 0.0 109.028 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -87.51 170.63 11.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.28 1.032 . . . . 0.0 109.364 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 41.8 ttp -63.26 -34.47 77.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.652 0.781 . . . . 0.0 110.318 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -59.5 -50.08 75.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.96 0.904 . . . . 0.0 109.987 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -66.93 -43.78 82.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.25 1.42 . . . . 0.0 111.792 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 t -31.35 129.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 128.705 2.802 . . . . 0.0 115.578 -174.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.0 p -113.5 -5.48 13.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.317 1.847 . . . . 0.0 110.459 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -72.85 -81.64 0.06 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.77 1.228 . . . . 0.0 110.562 -174.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.33 80.58 0.19 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.532 1.533 . . . . 0.0 109.404 -174.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 50.12 67.86 0.84 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.365 1.466 . . . . 0.0 110.497 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.08 68.46 3.23 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.113 0.965 . . . . 0.0 110.376 -177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.474 1.509 . . . . 0.0 107.441 -179.414 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.728 0 O4'-C1'-N19 110.252 3.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 1 O4'-C1'-N19 113.582 7.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 1 O4'-C1'-N19 112.09 5.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 1 O4'-C1'-N19 111.276 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 1 O4'-C1'-N19 113.026 6.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.901 0 N19-C1'-C2' 119.729 3.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.733 1 O4'-C1'-N19 114.127 7.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.1 2 O4'-C1'-N19 114.274 8.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 2 O4'-C1'-N19 117.882 12.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.483 1 O4'-C1'-N19 111.614 4.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 0 P-O3'-C3' 123.451 3.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.077 0 P-O3'-C3' 123.305 3.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p30 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.496 0.189 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.87 176.62 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.67 1.588 . . . . 0.0 109.255 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 116.78 11.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 125.916 1.686 . . . . 0.0 107.443 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -64.77 115.52 5.38 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ3' ' A' ' 37' ' ' TRP . 19.7 m-85 -56.16 -39.19 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.655 0.782 . . . . 0.0 110.286 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -79.29 -0.24 31.56 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.769 1.628 . . . . 0.0 114.108 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -159.08 -37.73 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.405 1.457 . . . . 0.0 113.576 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.67 -32.48 5.5 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.383 1.468 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.57 144.27 54.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 117.891 0.845 . . . . 0.0 110.266 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -81.62 -166.49 1.21 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.511 1.124 . . . . 0.0 110.817 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.45 -52.36 3.07 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.1 1.334 . . . . 0.0 112.236 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -115.02 167.42 10.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.231 1.412 . . . . 0.0 111.907 -174.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -113.87 180.0 3.8 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.618 1.167 . . . . 0.0 111.541 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.31 -51.28 14.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.159 1.784 . . . . 0.0 112.918 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -61.37 -43.98 97.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.568 0.347 . . . . 0.0 111.44 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.59 -36.41 82.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.11 0.964 . . . . 0.0 111.548 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -51.98 128.65 24.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.416 1.087 . . . . 0.0 113.025 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -84.18 66.89 9.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.9 157.72 33.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.075 1.35 . . . . 0.0 108.404 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.99 127.86 28.12 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.615 2.877 . . . . 0.0 110.13 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -89.2 124.44 34.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.966 0.889 . . . . 0.0 109.74 -174.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -89.77 112.38 23.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 127.068 2.147 . . . . 0.0 107.156 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -89.81 -30.14 18.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.216 1.007 . . . . 0.0 113.125 -174.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.48 -131.45 0.03 OUTLIER Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.761 1.648 . . . . 0.0 114.119 -174.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.2 102.14 14.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.252 -0.558 . . . . 0.0 110.194 176.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.46 ' CH2' ' C8 ' ' B' ' 107' ' ' ' DG' . 4.1 m0 -58.97 -35.93 73.99 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -68.17 -77.7 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.378 0.671 . . . . 0.0 111.388 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -40.0 34.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.379 -0.82 . . . . 0.0 112.442 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.1 -47.39 0.97 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 174.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.06 139.12 42.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.514 1.157 . . . . 0.0 113.366 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.59 -170.94 1.9 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.255 1.022 . . . . 0.0 110.737 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.59 -44.24 2.75 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -115.11 153.71 30.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.94 2.096 . . . . 0.0 108.294 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.45 ' NE2' " H3'" ' B' ' 107' ' ' ' DG' . 90.9 mt-30 -82.25 172.1 13.51 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.544 0.338 . . . . 0.0 110.902 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.54 -46.19 89.59 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.418 -0.801 . . . . 0.0 110.947 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -48.78 -61.37 2.08 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.651 1.981 . . . . 0.0 111.247 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -50.49 -51.46 47.1 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.441 2.696 . . . . 0.0 112.993 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 t -31.34 131.23 0.11 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.592 2.357 . . . . 0.0 116.7 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.3 p -121.04 7.79 10.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.889 1.676 . . . . 0.0 112.556 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -52.65 -73.29 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.301 1.441 . . . . 0.0 109.445 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -176.36 65.18 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.754 2.422 . . . . 0.0 106.629 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.07 101.42 0.28 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.834 1.654 . . . . 0.0 108.993 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 58.55 47.57 13.18 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.517 1.127 . . . . 0.0 109.907 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.172 0 CA-C-O 116.378 -1.772 . . . . 0.0 109.347 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.271 1 O4'-C1'-N19 114.283 8.104 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 1 O4'-C1'-N19 113.22 6.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.964 0 P-O3'-C3' 123.414 3.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 113.037 6.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.071 0 N19-C1'-C2' 120.495 3.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.46 ' C8 ' ' CH2' ' A' ' 37' ' ' TRP . . . . . . . . 0 C5'--C4' 1.535 3.011 2 O4'-C1'-N19 113.134 6.667 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.584 ' C6 ' ' H73' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.591 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.584 ' H73' ' C6 ' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.104 1 O4'-C1'-N19 113.024 6.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.026 1 O4'-C1'-N19 116.521 10.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 1 O4'-C1'-N19 115.257 9.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 109.763 2.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.403 3.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.08 0 P-O3'-C3' 122.605 2.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 p -95.6 108.38 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.505 0.722 . . . . 0.0 111.658 -175.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -57.15 115.26 2.55 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.959 0.903 . . . . 0.0 110.676 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.95 134.01 46.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.673 0.789 . . . . 0.0 111.113 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -66.91 -49.46 65.48 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.282 0.492 . . . . 0.0 110.294 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -69.42 -2.65 11.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -155.2 -31.13 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.023 1.283 . . . . 0.0 113.235 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.4 -44.78 1.42 Allowed Glycine 0 C--N 1.34 0.796 0 C-N-CA 124.11 0.862 . . . . 0.0 111.822 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.89 150.34 24.46 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -79.07 179.86 7.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.672 -174.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.74 -51.5 4.11 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.262 0.934 . . . . 0.0 112.07 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 46.3 p-80 -112.05 164.51 13.07 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.408 1.083 . . . . 0.0 112.155 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -101.22 176.03 5.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.837 1.655 . . . . 0.0 110.895 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.49 -50.59 40.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.512 1.525 . . . . 0.0 111.823 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -68.36 -30.81 69.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.51 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 9.1 t30 -70.83 -48.47 53.85 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.289 0.495 . . . . 0.0 110.423 175.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -26.0 117.28 0.07 Allowed 'General case' 0 C--N 1.341 0.209 0 C-N-CA 127.606 2.362 . . . . 0.0 114.909 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -81.75 61.9 5.32 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.296 1.038 . . . . 0.0 109.325 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.15 22.22 Favored Pre-proline 0 N--CA 1.454 -0.227 0 C-N-CA 126.51 1.924 . . . . 0.0 106.469 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.4 130.08 38.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.363 2.709 . . . . 0.0 111.364 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.26 151.55 22.06 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -89.51 170.98 10.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.615 1.166 . . . . 0.0 108.019 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -117.35 -46.71 2.68 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.776 0.83 . . . . 0.0 110.685 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.36 -176.71 48.68 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.16 0.886 . . . . 0.0 112.191 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -40.19 120.55 1.21 Allowed 'General case' 0 C--N 1.344 0.336 0 C-N-CA 126.187 1.795 . . . . 0.0 112.362 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.321 0.51 . . . . 0.0 112.019 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -81.06 -73.44 0.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.454 0.702 . . . . 0.0 112.674 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.29 -24.92 63.12 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.056 0.843 . . . . 0.0 113.163 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.0 -39.81 2.68 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 118.882 0.765 . . . . 0.0 111.994 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -56.67 138.0 53.26 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.756 0.822 . . . . 0.0 111.923 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.89 -173.93 2.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.439 1.096 . . . . 0.0 111.063 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.24 -41.58 3.07 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.6 151.25 38.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.488 1.915 . . . . 0.0 108.907 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -95.2 174.57 6.99 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.252 0.621 . . . . 0.0 109.357 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -62.39 -43.37 98.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.804 0.841 . . . . 0.0 112.412 -174.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.24 -45.72 87.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.691 0.397 . . . . 0.0 110.677 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -66.55 -44.26 82.81 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.162 1.385 . . . . 0.0 112.514 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.6 t -29.71 137.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 129.586 3.154 . . . . 0.0 116.134 -173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.9 p -106.49 -26.44 11.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.54 1.536 . . . . 0.0 109.404 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -63.94 -77.26 0.06 Allowed 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.749 2.019 . . . . 0.0 110.366 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -147.48 106.86 3.9 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 126.273 1.829 . . . . 0.0 106.945 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -77.13 -46.41 23.55 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 126.452 1.901 . . . . 0.0 109.306 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.05 -173.51 1.63 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.9 1.28 . . . . 0.0 111.967 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.251 1.158 0 C-N-CA 126.653 1.981 . . . . 0.0 112.042 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.709 1 O4'-C1'-N19 111.773 4.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.07 0 C4'-C3'-C2' 99.33 -3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 2 O4'-C1'-N19 115.003 9.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 0 O4'-C1'-N19 110.289 3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 112.69 6.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 N19-C1'-C2' 119.229 3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.561 " H4'" ' H72' ' B' ' 108' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.389 -5.176 2 C4'-C3'-C2' 97.382 -5.818 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.561 ' H72' " H4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.545 4.272 1 O5'-C5'-C4' 116.108 4.22 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 1 O4'-C1'-N19 112.314 5.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.428 2 O4'-C1'-N19 119.725 14.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.517 0 P-O3'-C3' 122.519 2.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 113.055 6.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.216 0 P-O3'-C3' 123.561 3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.992 0 P-O3'-C3' 122.484 2.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.5 m120 . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 119.703 -0.189 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -145.11 164.61 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.97 0.908 . . . . 0.0 111.227 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 111.71 8.75 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.193 2.197 . . . . 0.0 105.753 173.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -57.7 126.9 29.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.444 1.098 . . . . 0.0 111.761 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.37 -44.71 95.81 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.168 0.509 . . . . 0.0 110.196 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -72.39 -3.77 26.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.511 1.524 . . . . 0.0 115.064 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -159.08 -29.55 0.07 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.444 1.475 . . . . 0.0 114.014 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.77 -44.41 1.51 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.073 1.321 . . . . 0.0 111.418 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.51 135.63 50.55 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.54 0.736 . . . . 0.0 111.183 -174.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -76.58 -178.38 4.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.233 1.413 . . . . 0.0 113.327 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.37 -57.35 4.74 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.722 1.153 . . . . 0.0 110.639 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 43.3 p-80 -97.59 167.3 11.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.793 1.237 . . . . 0.0 110.621 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.446 HG22 ' H72' ' B' ' 106' ' ' ' DT' . 48.4 p -117.03 -166.68 1.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.632 1.573 . . . . 0.0 109.459 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -55.04 39.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HB3' ' C4 ' ' B' ' 109' ' ' ' DT' . 6.8 ptt-85 -52.56 -51.98 57.16 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 123.776 0.83 . . . . 0.0 111.904 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.476 ' HB2' ' HB2' ' A' ' 23' ' ' HIS . 21.1 m120 -74.81 -1.01 20.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -174.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.0 t -85.2 114.41 22.29 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.641 0.776 . . . . 0.0 109.396 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -84.81 62.92 7.72 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.92 157.16 72.08 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 126.721 2.008 . . . . 0.0 107.063 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.88 122.33 11.62 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.063 2.508 . . . . 0.0 110.832 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 154.35 20.41 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -176.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.25 156.75 18.56 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.231 1.013 . . . . 0.0 112.944 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -89.97 -64.16 1.18 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.338 1.855 . . . . 0.0 108.572 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.51 -171.99 44.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 124.712 1.149 . . . . 0.0 113.456 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -32.09 114.37 0.14 Allowed 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 128.393 2.677 . . . . 0.0 112.961 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -63.95 -42.57 97.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.461 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -76.94 -75.2 0.21 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.737 -174.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -38.34 89.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.405 -175.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.0 -46.89 1.07 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.937 0.779 . . . . 0.0 113.416 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -52.8 135.81 35.0 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.49 1.516 . . . . 0.0 113.436 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.29 -169.19 2.41 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.245 0.618 . . . . 0.0 111.216 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.68 1.62 83.72 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -168.33 168.08 11.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.827 2.051 . . . . 0.0 107.721 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.38 166.03 11.67 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.293 0.637 . . . . 0.0 110.068 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -50.9 -40.04 55.84 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.478 1.511 . . . . 0.0 111.711 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -53.35 -44.67 68.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.794 1.238 . . . . 0.0 111.319 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -79.83 -47.05 15.78 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.682 1.993 . . . . 0.0 112.108 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.5 t -22.45 122.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.159 0 C-N-CA 130.105 3.362 . . . . 0.0 114.57 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -95.28 -13.31 24.95 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.91 1.684 . . . . 0.0 111.189 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.14 -58.62 3.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.742 1.217 . . . . 0.0 109.419 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 58.22 40.56 24.69 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.714 1.606 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -69.75 -24.68 63.57 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.795 1.238 . . . . 0.0 111.474 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.44 52.87 1.02 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 125.415 1.486 . . . . 0.0 109.73 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 116.305 -1.807 . . . . 0.0 109.635 -174.854 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.15 3 C4'-C3'-C2' 95.597 -7.603 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.511 0 O5'-C5'-C4' 113.126 2.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.628 4.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 O4'-C1'-N19 110.445 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 0 N19-C1'-C2' 119.565 3.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . 0.446 ' H72' HG22 ' A' ' 24' ' ' THR . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.498 " O4'" ' H72' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 P--O5' 1.625 3.242 1 C4'-C3'-C2' 97.696 -5.504 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.498 ' H72' " O4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.249 0 N19-C1'-C2' 118.644 2.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.471 ' C4 ' ' HB3' ' A' ' 26' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.991 1 O4'-C1'-N19 113.633 7.292 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.366 1 O4'-C1'-N19 119.6 14.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 1 O4'-C1'-N19 115.465 9.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 0 O4'-C1'-N19 110.479 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 P-O3'-C3' 122.896 2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.748 0 P-O3'-C3' 122.706 2.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 CA--C 1.534 0.337 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 111.65 1.9 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.606 0.762 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.34 127.33 30.83 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.09 0.956 . . . . 0.0 110.182 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.38 -45.6 90.37 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.93 0.786 . . . . 0.0 110.906 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.89 -56.9 15.63 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.835 1.254 . . . . 0.0 111.849 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.93 -29.94 9.65 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -47.04 1.08 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.388 0.994 . . . . 0.0 111.029 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -55.68 141.55 37.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.971 0.908 . . . . 0.0 113.003 -174.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -78.72 177.56 8.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 126.231 1.812 . . . . 0.0 111.856 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.05 88.14 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.716 1.151 . . . . 0.0 113.903 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -167.92 167.54 12.76 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.196 0.998 . . . . 0.0 109.464 -175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.9 p -115.39 175.1 5.66 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.46 49.17 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 126.294 1.838 . . . . 0.0 112.162 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -61.55 -45.08 95.69 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.518 0.727 . . . . 0.0 111.943 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -65.92 -39.98 91.03 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.92 0.488 . . . . 0.0 112.054 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -40.91 118.98 1.06 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.753 2.021 . . . . 0.0 113.069 -174.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.46 66.87 6.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.93 149.46 7.98 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 125.827 1.651 . . . . 0.0 107.837 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.08 132.74 35.41 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.481 2.121 . . . . 0.0 109.216 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -89.69 171.28 9.77 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.349 0.66 . . . . 0.0 111.301 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -89.21 147.98 23.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.13 1.372 . . . . 0.0 110.156 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -89.54 -58.6 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.829 1.252 . . . . 0.0 108.078 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.28 -164.14 10.55 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 124.713 1.149 . . . . 0.0 113.616 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.0 127.14 30.11 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.716 1.206 . . . . 0.0 110.44 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.1 m0 -69.37 -56.2 8.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.749 0.419 . . . . 0.0 110.037 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.57 -68.24 0.42 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.229 0.612 . . . . 0.0 111.451 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -28.46 67.74 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -175.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 -45.17 1.36 Allowed Glycine 0 C--N 1.343 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 112.658 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.52 134.78 56.41 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.816 1.246 . . . . 0.0 111.615 -174.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.15 -172.97 3.86 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.886 0.475 . . . . 0.0 111.879 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.28 1.56 90.09 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.977 0.799 . . . . 0.0 111.335 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -167.75 151.19 6.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.597 1.559 . . . . 0.0 108.028 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -88.7 172.82 8.97 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.322 1.049 . . . . 0.0 109.856 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -61.42 -38.61 87.74 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.274 1.029 . . . . 0.0 109.737 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -54.96 -53.33 57.03 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 110.099 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.15 -42.71 83.89 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.706 1.603 . . . . 0.0 112.546 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.9 t -29.67 135.35 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 128.858 2.863 . . . . 0.0 114.888 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -113.91 -2.0 13.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 111.656 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 125.154 1.382 . . . . 0.0 109.875 -174.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.62 0.248 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 105.32 4.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.581 1.952 . . . . 0.0 105.918 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 t -47.6 127.6 11.6 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.282 1.833 . . . . 0.0 112.362 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -61.51 -46.9 88.04 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.855 0.462 . . . . 0.0 111.079 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.13 -30.8 69.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.602 1.561 . . . . 0.0 113.112 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -142.43 -26.16 0.63 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.51 -45.72 1.27 Allowed Glycine 0 C--N 1.34 0.752 0 C-N-CA 124.657 1.123 . . . . 0.0 111.268 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.29 135.33 49.97 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.656 0.782 . . . . 0.0 111.567 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -78.08 -164.72 0.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.863 1.665 . . . . 0.0 111.175 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.08 -57.9 3.6 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.515 1.531 . . . . 0.0 110.932 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -101.22 171.29 7.7 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.569 1.548 . . . . 0.0 110.434 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.9 p -118.48 -175.95 2.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.15 1.38 . . . . 0.0 108.787 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.77 -40.7 55.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.734 1.214 . . . . 0.0 112.913 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -65.4 -46.28 80.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.788 0.435 . . . . 0.0 111.75 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -73.55 -17.74 61.16 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.002 0.521 . . . . 0.0 111.18 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -79.63 98.25 6.85 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 122.548 0.339 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -85.99 59.58 5.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 163.17 33.5 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.542 1.537 . . . . 0.0 109.516 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.63 101.57 0.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.038 3.158 . . . . 0.0 111.647 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -91.75 177.45 6.19 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.798 0.839 . . . . 0.0 111.763 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.55 150.52 22.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.772 2.029 . . . . 0.0 106.853 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -89.38 -54.37 4.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.83 -150.35 12.04 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.188 1.375 . . . . 0.0 113.398 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 46' ' ' MET . 9.5 t -59.81 125.42 23.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.699 1.199 . . . . 0.0 110.886 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -64.89 -44.4 89.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.164 0.586 . . . . 0.0 111.135 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -73.5 -76.54 0.12 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.835 0.854 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.0 p -66.28 -40.72 90.28 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.248 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 115.3 -21.67 12.85 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 119.213 0.915 . . . . 0.0 114.071 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -80.22 145.42 32.25 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.443 1.097 . . . . 0.0 111.083 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.65 179.17 5.35 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.3 1.04 . . . . 0.0 112.733 -175.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.89 -39.26 3.05 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -119.14 148.81 42.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 126.239 1.816 . . . . 0.0 109.96 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.65 175.75 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.192 1.397 . . . . 0.0 108.051 174.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.473 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 16.0 tmm? -62.58 -39.13 92.72 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.725 0.81 . . . . 0.0 112.377 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.53 -42.75 99.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.205 1.002 . . . . 0.0 110.698 174.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.76 -46.0 59.87 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.063 1.345 . . . . 0.0 112.15 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 t -37.26 139.14 0.26 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.303 2.641 . . . . 0.0 114.923 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 t -139.08 42.08 2.09 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.724 1.21 . . . . 0.0 110.063 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -59.73 120.09 8.86 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 111.994 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.6 t -72.15 125.33 27.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.013 1.325 . . . . 0.0 109.87 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -57.72 -45.79 85.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.777 0.717 . . . . 0.0 111.727 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -61.21 -60.54 3.6 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.768 1.227 . . . . 0.0 113.37 -174.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.59 -25.54 13.54 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -174.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -47.84 1.02 Allowed Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.577 1.084 . . . . 0.0 111.251 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -53.92 133.49 43.03 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.038 1.335 . . . . 0.0 112.557 -174.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -74.01 -176.79 2.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.906 2.082 . . . . 0.0 112.808 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -55.73 4.08 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 124.956 1.265 . . . . 0.0 110.801 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -106.59 164.47 12.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.261 1.424 . . . . 0.0 108.565 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 p -110.87 176.62 4.96 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.813 0.845 . . . . 0.0 110.835 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.81 24.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 125.86 1.664 . . . . 0.0 112.622 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -31.43 68.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -95.99 -0.5 50.52 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.9 1.28 . . . . 0.0 112.342 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -68.11 120.57 14.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.155 0.582 . . . . 0.0 110.658 -175.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -82.01 64.41 6.68 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.01 159.75 21.8 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 125.541 1.537 . . . . 0.0 107.864 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.67 141.9 98.04 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.363 2.708 . . . . 0.0 110.674 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -175.65 4.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 110.524 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.95 175.86 7.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.302 1.441 . . . . 0.0 112.635 -174.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.82 -69.19 0.8 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.63 1.172 . . . . 0.0 109.829 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.56 -151.94 28.01 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.541 1.067 . . . . 0.0 112.446 -174.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.2 t -52.45 133.29 35.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.745 1.218 . . . . 0.0 110.737 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -65.24 -55.79 16.47 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 122.617 0.367 . . . . 0.0 111.498 -174.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.6 -70.22 0.49 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.35 0.26 . . . . 0.0 111.201 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -29.46 70.53 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.41 -41.58 2.12 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 118.855 0.752 . . . . 0.0 113.745 174.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -56.01 129.64 40.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.631 0.772 . . . . 0.0 112.955 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -179.0 7.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.445 1.098 . . . . 0.0 112.63 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.73 -0.86 85.32 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.036 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -165.31 162.52 19.76 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.266 1.427 . . . . 0.0 108.634 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.91 163.64 12.2 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.625 0.77 . . . . 0.0 110.609 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.0 ttp -50.79 -45.24 59.11 Favored 'General case' 0 N--CA 1.461 0.097 0 C-N-CA 125.741 1.616 . . . . 0.0 111.02 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -49.0 -65.9 0.49 Allowed 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 126.738 2.015 . . . . 0.0 110.597 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -49.98 -49.15 51.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.075 2.15 . . . . 0.0 112.56 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 141.99 56.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.461 1.504 . . . . 0.0 113.715 -174.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -125.4 25.59 7.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.713 1.605 . . . . 0.0 109.344 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 . . . . . 0 N--CA 1.452 -0.337 0 C-N-CA 125.327 1.451 . . . . 0.0 109.371 179.446 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -124.79 116.22 21.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.514 1.926 . . . . 0.0 106.153 173.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.63 126.27 28.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.945 0.898 . . . . 0.0 111.731 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -64.53 -42.65 95.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.275 0.489 . . . . 0.0 109.822 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -74.07 -0.43 16.49 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -158.71 -29.91 0.07 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 120.187 1.358 . . . . 0.0 113.407 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.48 -43.46 1.68 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.001 1.286 . . . . 0.0 111.193 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.73 135.59 55.24 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.257 0.623 . . . . 0.0 110.916 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.31 178.22 8.44 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.725 1.21 . . . . 0.0 112.494 -174.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.42 85.11 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.487 1.041 . . . . 0.0 113.106 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -157.42 162.95 39.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.152 0.976 . . . . 0.0 109.769 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.0 p -105.02 -177.74 3.45 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.549 1.14 . . . . 0.0 111.598 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.67 69.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.896 1.678 . . . . 0.0 112.804 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.92 -38.92 66.7 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.801 0.728 . . . . 0.0 111.12 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.02 -38.38 73.06 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.944 1.298 . . . . 0.0 110.863 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -47.91 129.71 14.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.48 1.512 . . . . 0.0 112.92 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -82.58 62.12 6.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.885 0.874 . . . . 0.0 109.312 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.01 144.05 12.65 Favored Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 126.486 1.914 . . . . 0.0 106.094 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -51.66 140.92 45.04 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.569 2.846 . . . . 0.0 110.736 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 154.05 20.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.385 0.612 . . . . 0.0 109.802 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -89.32 130.73 35.66 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.81 1.644 . . . . 0.0 108.62 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -89.16 -40.09 13.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.459 1.104 . . . . 0.0 109.442 -174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.59 -160.8 6.54 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.619 0.628 . . . . 0.0 112.138 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.0 t -72.68 121.89 20.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.03 0.932 . . . . 0.0 110.453 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -61.45 -51.1 70.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.666 0.387 . . . . 0.0 111.942 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.65 -74.26 0.11 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.414 0.686 . . . . 0.0 111.904 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -20.99 55.61 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.21 -40.97 2.24 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 119.179 0.899 . . . . 0.0 111.526 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -50.83 131.53 26.28 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.47 1.108 . . . . 0.0 111.992 -174.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.62 -178.56 4.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.628 1.171 . . . . 0.0 112.351 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.8 6.19 86.95 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.03 -174.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -165.69 148.12 7.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.278 1.431 . . . . 0.0 108.217 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -84.06 169.73 14.62 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.377 0.671 . . . . 0.0 109.829 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -60.55 -43.3 97.38 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.73 0.812 . . . . 0.0 109.761 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -54.83 15.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 126.724 2.01 . . . . 0.0 110.585 173.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.2 -44.46 95.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.617 1.567 . . . . 0.0 112.171 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t -44.29 140.43 2.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 126.77 2.028 . . . . 0.0 114.883 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.6 p -108.7 -20.34 13.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.71 1.604 . . . . 0.0 111.57 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 125.715 1.606 . . . . 0.0 111.073 -176.808 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 110.21 19.66 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.399 1.08 . . . . 0.0 108.467 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -53.48 117.88 3.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.209 1.404 . . . . 0.0 112.91 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 42.9 m-85 -53.55 -39.74 64.98 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.153 0.581 . . . . 0.0 111.624 174.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -77.01 4.48 9.98 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -174.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -160.54 -48.84 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.006 1.275 . . . . 0.0 112.46 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.79 -35.9 3.15 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.098 1.332 . . . . 0.0 111.282 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -63.69 141.35 58.8 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 117.49 0.645 . . . . 0.0 110.438 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -85.99 -165.57 1.28 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.879 0.872 . . . . 0.0 111.693 -174.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.91 -5.55 17.4 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.945 1.259 . . . . 0.0 113.893 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -155.58 165.27 37.08 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.012 1.406 . . . . 0.0 112.566 -174.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -110.52 170.64 7.95 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 125.294 1.438 . . . . 0.0 111.729 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.54 52.42 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.365 1.466 . . . . 0.0 112.224 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.11 -42.55 93.86 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.454 1.101 . . . . 0.0 111.575 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.6 -31.88 57.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.563 1.145 . . . . 0.0 111.253 -176.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.2 t -52.29 122.26 8.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.352 1.061 . . . . 0.0 113.216 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -84.79 61.76 6.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.474 1.11 . . . . 0.0 108.416 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.49 157.03 36.86 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 125.163 1.385 . . . . 0.0 108.822 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.98 122.57 11.94 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.429 2.753 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 154.43 20.19 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-O 121.26 0.552 . . . . 0.0 109.923 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -89.59 178.82 6.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.898 1.279 . . . . 0.0 111.303 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.5 -56.69 1.5 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.595 1.558 . . . . 0.0 108.491 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.95 -170.46 13.76 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.462 1.03 . . . . 0.0 112.336 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 t -59.43 129.78 43.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.153 0.581 . . . . 0.0 111.477 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.404 ' CZ3' ' CD2' ' A' ' 16' ' ' PHE . 8.0 m0 -68.26 -50.39 54.11 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.813 0.845 . . . . 0.0 110.972 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -63.62 -72.29 0.14 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.915 0.886 . . . . 0.0 111.682 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -75.25 -28.41 59.83 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.07 -40.33 2.49 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 118.367 0.531 . . . . 0.0 111.852 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -58.91 141.81 52.5 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.717 0.807 . . . . 0.0 111.698 -174.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -98.59 -172.52 2.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.142 0.977 . . . . 0.0 110.88 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.17 3.06 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -118.36 151.82 37.0 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.531 1.933 . . . . 0.0 108.86 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -98.38 174.2 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.065 0.946 . . . . 0.0 109.058 174.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.09 -44.45 95.7 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.505 0.722 . . . . 0.0 111.73 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -52.49 -42.61 64.44 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.362 0.665 . . . . 0.0 110.877 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -72.19 -46.38 56.48 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.14 1.376 . . . . 0.0 112.17 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -41.85 140.6 0.99 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.173 2.589 . . . . 0.0 114.957 -173.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -124.91 -2.07 7.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.606 1.563 . . . . 0.0 112.081 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 . . . . . 0 C--N 1.342 0.279 0 C-N-CA 125.28 1.432 . . . . 0.0 111.162 -174.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.224 -0.25 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -145.09 94.17 2.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 127.471 2.308 . . . . 0.0 105.389 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.0 t -39.48 126.98 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.953 2.101 . . . . 0.0 114.118 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -59.32 -45.42 91.37 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.16 0.584 . . . . 0.0 110.905 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -77.8 -1.31 30.84 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -155.45 -30.33 0.1 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.382 1.446 . . . . 0.0 113.924 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.46 -42.23 2.01 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.701 1.143 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -59.44 141.96 53.49 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 117.517 0.659 . . . . 0.0 111.156 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -77.68 179.5 6.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.798 1.639 . . . . 0.0 113.952 -174.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 -47.56 3.74 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.055 1.312 . . . . 0.0 111.968 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -114.76 165.62 12.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.048 1.339 . . . . 0.0 111.181 -174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -117.73 -175.55 2.85 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.429 1.092 . . . . 0.0 111.673 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.44 72.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.195 1.798 . . . . 0.0 113.158 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -64.62 -44.03 91.82 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.636 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -73.45 -26.22 60.83 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.483 1.113 . . . . 0.0 112.731 -175.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -44.7 -40.07 5.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 47.99 55.19 8.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.732 1.213 . . . . 0.0 110.713 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.04 155.99 72.57 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 126.579 1.952 . . . . 0.0 106.509 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -54.71 125.62 19.67 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.545 2.163 . . . . 0.0 109.341 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -89.17 167.32 13.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.414 0.686 . . . . 0.0 110.86 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -89.26 -176.3 5.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.797 0.839 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -50.35 0.72 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.646 1.578 . . . . 0.0 107.769 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.8 -173.72 11.73 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.069 0.842 . . . . 0.0 112.51 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.7 t -64.92 125.36 24.61 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.193 0.997 . . . . 0.0 111.62 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -68.04 -53.05 28.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.113 1.365 . . . . 0.0 111.078 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -66.56 -69.76 0.29 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.785 0.834 . . . . 0.0 111.981 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -30.27 54.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -174.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 -43.31 1.75 Allowed Glycine 0 C--N 1.341 0.848 0 CA-C-N 118.956 0.798 . . . . 0.0 113.183 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -55.25 139.08 43.56 Favored 'General case' 0 C--N 1.341 0.202 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -174.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -172.59 2.85 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.563 1.145 . . . . 0.0 111.091 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.02 4.65 72.98 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.653 0.644 . . . . 0.0 111.931 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -166.16 146.96 6.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.575 1.55 . . . . 0.0 108.046 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -86.33 170.12 12.33 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.85 -41.89 96.76 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.834 0.853 . . . . 0.0 110.149 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.65 -45.02 63.2 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.134 0.974 . . . . 0.0 110.788 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -75.41 -44.51 44.19 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.523 1.529 . . . . 0.0 111.867 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.5 t -38.75 141.35 0.28 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 128.594 2.758 . . . . 0.0 116.593 -173.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.3 p -135.82 41.21 2.71 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.776 1.631 . . . . 0.0 110.563 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.615 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.687 0.28 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.61 101.79 3.72 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.076 2.151 . . . . 0.0 105.666 173.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.25 126.49 14.93 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.492 1.517 . . . . 0.0 112.237 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.89 -45.7 86.01 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.842 0.457 . . . . 0.0 110.825 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.01 -23.91 63.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 p -144.62 -17.2 0.54 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.155 1.343 . . . . 0.0 114.53 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.33 -39.08 2.87 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.715 1.15 . . . . 0.0 111.92 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -59.61 143.17 51.19 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.392 0.677 . . . . 0.0 111.308 -174.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.07 -165.37 0.82 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.886 0.875 . . . . 0.0 111.114 -175.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.78 -51.88 3.49 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.867 1.223 . . . . 0.0 111.79 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 48.3 p-80 -118.88 172.05 7.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.479 1.512 . . . . 0.0 112.325 -174.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.8 p -117.23 -178.53 3.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.63 1.572 . . . . 0.0 110.379 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.34 -46.03 25.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.691 1.996 . . . . 0.0 113.22 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -61.93 -55.01 34.0 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.474 1.11 . . . . 0.0 112.833 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 15.9 t-20 -56.82 -46.02 81.91 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.417 0.553 . . . . 0.0 111.065 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -33.94 107.57 0.05 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.004 1.722 . . . . 0.0 113.826 -174.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -82.56 60.97 5.45 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 155.86 50.11 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 126.545 1.938 . . . . 0.0 106.592 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -54.84 129.78 37.01 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.135 2.556 . . . . 0.0 109.345 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 150.28 22.6 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.565 0.697 . . . . 0.0 109.143 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -89.12 132.18 34.93 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.991 1.716 . . . . 0.0 109.512 -173.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.21 -49.76 6.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.192 0.997 . . . . 0.0 109.38 -174.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.63 -168.48 7.68 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.949 0.785 . . . . 0.0 112.911 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.27 124.21 22.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.206 1.003 . . . . 0.0 111.394 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -68.11 -55.37 12.68 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.694 1.197 . . . . 0.0 110.918 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -68.66 -70.83 0.24 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.041 0.382 . . . . 0.0 111.316 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -28.04 67.39 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.1 -41.83 2.04 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 118.797 0.726 . . . . 0.0 112.504 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 130.24 45.16 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.608 0.763 . . . . 0.0 110.982 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.57 -172.26 3.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.158 0.583 . . . . 0.0 111.725 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.42 -38.2 3.24 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -174.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -123.53 153.14 41.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.265 1.826 . . . . 0.0 109.028 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -87.51 170.63 11.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.28 1.032 . . . . 0.0 109.364 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 41.8 ttp -63.26 -34.47 77.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.652 0.781 . . . . 0.0 110.318 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -59.5 -50.08 75.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.96 0.904 . . . . 0.0 109.987 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -66.93 -43.78 82.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.25 1.42 . . . . 0.0 111.792 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 t -31.35 129.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 128.705 2.802 . . . . 0.0 115.578 -174.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.0 p -113.5 -5.48 13.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.317 1.847 . . . . 0.0 110.459 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--N 1.342 0.244 0 C-N-CA 124.77 1.228 . . . . 0.0 110.562 -174.831 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 116.78 11.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 125.916 1.686 . . . . 0.0 107.443 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -64.77 115.52 5.38 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ3' ' A' ' 37' ' ' TRP . 19.7 m-85 -56.16 -39.19 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.655 0.782 . . . . 0.0 110.286 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -79.29 -0.24 31.56 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.769 1.628 . . . . 0.0 114.108 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -159.08 -37.73 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.405 1.457 . . . . 0.0 113.576 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.67 -32.48 5.5 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.383 1.468 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.57 144.27 54.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 117.891 0.845 . . . . 0.0 110.266 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -81.62 -166.49 1.21 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.511 1.124 . . . . 0.0 110.817 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.45 -52.36 3.07 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.1 1.334 . . . . 0.0 112.236 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -115.02 167.42 10.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.231 1.412 . . . . 0.0 111.907 -174.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -113.87 180.0 3.8 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.618 1.167 . . . . 0.0 111.541 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.31 -51.28 14.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.159 1.784 . . . . 0.0 112.918 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -61.37 -43.98 97.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.568 0.347 . . . . 0.0 111.44 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.59 -36.41 82.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.11 0.964 . . . . 0.0 111.548 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -51.98 128.65 24.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.416 1.087 . . . . 0.0 113.025 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -84.18 66.89 9.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.9 157.72 33.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.075 1.35 . . . . 0.0 108.404 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.99 127.86 28.12 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.615 2.877 . . . . 0.0 110.13 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -89.2 124.44 34.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.966 0.889 . . . . 0.0 109.74 -174.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -89.77 112.38 23.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 127.068 2.147 . . . . 0.0 107.156 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -89.81 -30.14 18.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.216 1.007 . . . . 0.0 113.125 -174.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.48 -131.45 0.03 OUTLIER Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.761 1.648 . . . . 0.0 114.119 -174.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.2 102.14 14.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.252 -0.558 . . . . 0.0 110.194 176.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.425 ' CZ3' ' CZ ' ' A' ' 16' ' ' PHE . 4.1 m0 -58.97 -35.93 73.99 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -68.17 -77.7 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.378 0.671 . . . . 0.0 111.388 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -40.0 34.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.379 -0.82 . . . . 0.0 112.442 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.1 -47.39 0.97 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 174.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.06 139.12 42.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.514 1.157 . . . . 0.0 113.366 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.59 -170.94 1.9 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.255 1.022 . . . . 0.0 110.737 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.59 -44.24 2.75 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -115.11 153.71 30.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.94 2.096 . . . . 0.0 108.294 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -82.25 172.1 13.51 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.544 0.338 . . . . 0.0 110.902 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.54 -46.19 89.59 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.418 -0.801 . . . . 0.0 110.947 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -48.78 -61.37 2.08 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.651 1.981 . . . . 0.0 111.247 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -50.49 -51.46 47.1 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.441 2.696 . . . . 0.0 112.993 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 t -31.34 131.23 0.11 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.592 2.357 . . . . 0.0 116.7 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.3 p -121.04 7.79 10.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.889 1.676 . . . . 0.0 112.556 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 125.301 1.441 . . . . 0.0 109.445 176.213 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -57.15 115.26 2.55 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.959 0.903 . . . . 0.0 110.676 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.95 134.01 46.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.673 0.789 . . . . 0.0 111.113 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -66.91 -49.46 65.48 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.282 0.492 . . . . 0.0 110.294 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.42 -2.65 11.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -155.2 -31.13 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.023 1.283 . . . . 0.0 113.235 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.4 -44.78 1.42 Allowed Glycine 0 C--N 1.34 0.796 0 C-N-CA 124.11 0.862 . . . . 0.0 111.822 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.89 150.34 24.46 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -79.07 179.86 7.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.672 -174.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.74 -51.5 4.11 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.262 0.934 . . . . 0.0 112.07 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 46.3 p-80 -112.05 164.51 13.07 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.408 1.083 . . . . 0.0 112.155 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -101.22 176.03 5.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.837 1.655 . . . . 0.0 110.895 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.49 -50.59 40.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.512 1.525 . . . . 0.0 111.823 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -68.36 -30.81 69.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.51 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 9.1 t30 -70.83 -48.47 53.85 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.289 0.495 . . . . 0.0 110.423 175.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -26.0 117.28 0.07 Allowed 'General case' 0 C--N 1.341 0.209 0 C-N-CA 127.606 2.362 . . . . 0.0 114.909 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -81.75 61.9 5.32 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.296 1.038 . . . . 0.0 109.325 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.15 22.22 Favored Pre-proline 0 N--CA 1.454 -0.227 0 C-N-CA 126.51 1.924 . . . . 0.0 106.469 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.4 130.08 38.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.363 2.709 . . . . 0.0 111.364 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.26 151.55 22.06 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -89.51 170.98 10.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.615 1.166 . . . . 0.0 108.019 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -117.35 -46.71 2.68 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.776 0.83 . . . . 0.0 110.685 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.36 -176.71 48.68 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.16 0.886 . . . . 0.0 112.191 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -40.19 120.55 1.21 Allowed 'General case' 0 C--N 1.344 0.336 0 C-N-CA 126.187 1.795 . . . . 0.0 112.362 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.321 0.51 . . . . 0.0 112.019 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -81.06 -73.44 0.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.454 0.702 . . . . 0.0 112.674 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.29 -24.92 63.12 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.056 0.843 . . . . 0.0 113.163 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.0 -39.81 2.68 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 118.882 0.765 . . . . 0.0 111.994 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -56.67 138.0 53.26 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.756 0.822 . . . . 0.0 111.923 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.89 -173.93 2.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.439 1.096 . . . . 0.0 111.063 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.24 -41.58 3.07 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.6 151.25 38.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.488 1.915 . . . . 0.0 108.907 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -95.2 174.57 6.99 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.252 0.621 . . . . 0.0 109.357 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -62.39 -43.37 98.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.804 0.841 . . . . 0.0 112.412 -174.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.24 -45.72 87.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.691 0.397 . . . . 0.0 110.677 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -66.55 -44.26 82.81 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.162 1.385 . . . . 0.0 112.514 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.6 t -29.71 137.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 129.586 3.154 . . . . 0.0 116.134 -173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.9 p -106.49 -26.44 11.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.54 1.536 . . . . 0.0 109.404 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 . . . . . 0 N--CA 1.448 -0.562 0 C-N-CA 126.749 2.019 . . . . 0.0 110.366 -176.102 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.721 0.296 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 111.71 8.75 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.193 2.197 . . . . 0.0 105.753 173.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -57.7 126.9 29.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.444 1.098 . . . . 0.0 111.761 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.37 -44.71 95.81 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.168 0.509 . . . . 0.0 110.196 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -72.39 -3.77 26.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.511 1.524 . . . . 0.0 115.064 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -159.08 -29.55 0.07 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.444 1.475 . . . . 0.0 114.014 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.77 -44.41 1.51 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.073 1.321 . . . . 0.0 111.418 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.51 135.63 50.55 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.54 0.736 . . . . 0.0 111.183 -174.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -76.58 -178.38 4.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.233 1.413 . . . . 0.0 113.327 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.37 -57.35 4.74 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.722 1.153 . . . . 0.0 110.639 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 43.3 p-80 -97.59 167.3 11.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.793 1.237 . . . . 0.0 110.621 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.4 p -117.03 -166.68 1.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.632 1.573 . . . . 0.0 109.459 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -55.04 39.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -52.56 -51.98 57.16 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 123.776 0.83 . . . . 0.0 111.904 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.476 ' HB2' ' HB2' ' A' ' 23' ' ' HIS . 59.2 m-20 -74.81 -1.01 20.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -174.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.0 t -85.2 114.41 22.29 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.641 0.776 . . . . 0.0 109.396 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -84.81 62.92 7.72 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.92 157.16 72.08 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 126.721 2.008 . . . . 0.0 107.063 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.88 122.33 11.62 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.063 2.508 . . . . 0.0 110.832 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 154.35 20.41 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -176.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.25 156.75 18.56 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.231 1.013 . . . . 0.0 112.944 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -89.97 -64.16 1.18 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.338 1.855 . . . . 0.0 108.572 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.51 -171.99 44.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 124.712 1.149 . . . . 0.0 113.456 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -32.09 114.37 0.14 Allowed 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 128.393 2.677 . . . . 0.0 112.961 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -63.95 -42.57 97.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.461 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -76.94 -75.2 0.21 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.737 -174.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -38.34 89.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.405 -175.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.0 -46.89 1.07 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.937 0.779 . . . . 0.0 113.416 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -52.8 135.81 35.0 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.49 1.516 . . . . 0.0 113.436 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.29 -169.19 2.41 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.245 0.618 . . . . 0.0 111.216 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.68 1.62 83.72 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -168.33 168.08 11.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.827 2.051 . . . . 0.0 107.721 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.38 166.03 11.67 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.293 0.637 . . . . 0.0 110.068 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -50.9 -40.04 55.84 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.478 1.511 . . . . 0.0 111.711 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -53.35 -44.67 68.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.794 1.238 . . . . 0.0 111.319 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -79.83 -47.05 15.78 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.682 1.993 . . . . 0.0 112.108 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.5 t -22.45 122.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.159 0 C-N-CA 130.105 3.362 . . . . 0.0 114.57 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -95.28 -13.31 24.95 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.91 1.684 . . . . 0.0 111.189 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.452 -0.339 0 C-N-CA 124.742 1.217 . . . . 0.0 109.419 -174.622 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 p30 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.671 -0.204 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.86 111.22 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.55 111.65 1.9 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.606 0.762 . . . . 0.0 110.831 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.34 127.33 30.83 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.09 0.956 . . . . 0.0 110.182 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.38 -45.6 90.37 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.93 0.786 . . . . 0.0 110.906 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -56.89 -56.9 15.63 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.835 1.254 . . . . 0.0 111.849 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.6 p -105.93 -29.94 9.65 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -47.04 1.08 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.388 0.994 . . . . 0.0 111.029 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -55.68 141.55 37.5 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.971 0.908 . . . . 0.0 113.003 -174.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.2 mp0 -78.72 177.56 8.56 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 126.231 1.812 . . . . 0.0 111.856 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.57 -0.05 88.14 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.716 1.151 . . . . 0.0 113.903 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -167.92 167.54 12.76 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.196 0.998 . . . . 0.0 109.464 -175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' H73' ' B' ' 106' ' ' ' DT' . 40.9 p -115.39 175.1 5.66 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -174.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.46 49.17 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 126.294 1.838 . . . . 0.0 112.162 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -61.55 -45.08 95.69 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.518 0.727 . . . . 0.0 111.943 177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -65.92 -39.98 91.03 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.92 0.488 . . . . 0.0 112.054 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.0 t -40.91 118.98 1.06 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.753 2.021 . . . . 0.0 113.069 -174.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.46 66.87 6.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.93 149.46 7.98 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 125.827 1.651 . . . . 0.0 107.837 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -64.08 132.74 35.41 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.481 2.121 . . . . 0.0 109.216 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -89.69 171.28 9.77 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.349 0.66 . . . . 0.0 111.301 -174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -89.21 147.98 23.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.13 1.372 . . . . 0.0 110.156 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -89.54 -58.6 2.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.829 1.252 . . . . 0.0 108.078 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.28 -164.14 10.55 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 124.713 1.149 . . . . 0.0 113.616 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.1 t -64.0 127.14 30.11 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.716 1.206 . . . . 0.0 110.44 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 25.1 m0 -69.37 -56.2 8.16 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.749 0.419 . . . . 0.0 110.037 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -69.57 -68.24 0.42 Allowed 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.229 0.612 . . . . 0.0 111.451 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -28.46 67.74 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -175.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.52 -45.17 1.36 Allowed Glycine 0 C--N 1.343 0.942 0 CA-C-N 118.568 0.622 . . . . 0.0 112.658 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.52 134.78 56.41 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.816 1.246 . . . . 0.0 111.615 -174.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -89.15 -172.97 3.86 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.886 0.475 . . . . 0.0 111.879 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.28 1.56 90.09 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 123.977 0.799 . . . . 0.0 111.335 -174.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -167.75 151.19 6.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 125.597 1.559 . . . . 0.0 108.028 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -88.7 172.82 8.97 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.322 1.049 . . . . 0.0 109.856 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -61.42 -38.61 87.74 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.274 1.029 . . . . 0.0 109.737 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -54.96 -53.33 57.03 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 110.099 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -67.15 -42.71 83.89 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.706 1.603 . . . . 0.0 112.546 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.9 t -29.67 135.35 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 128.858 2.863 . . . . 0.0 114.888 -174.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -113.91 -2.0 13.7 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.703 1.601 . . . . 0.0 111.656 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -72.9 -100.36 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.154 1.382 . . . . 0.0 109.875 -174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -95.74 66.8 2.72 Favored 'General case' 0 C--N 1.34 0.184 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -92.41 112.21 24.07 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.482 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.53 -49.5 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.838 1.255 . . . . 0.0 108.849 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 117.166 -1.397 . . . . 0.0 107.7 176.207 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.403 " H1'" ' C5 ' ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.6 1 O4'-C1'-C2' 101.438 -4.238 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.758 0 O4'-C1'-N19 110.762 3.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.403 ' C5 ' " H1'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.981 0 O4'-C1'-C2' 102.001 -3.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 1 O4'-C1'-N19 112.873 6.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . 0.421 " H1'" HG21 ' A' ' 24' ' ' THR . . . . . . . . 0 C5'--C4' 1.539 3.478 0 O4'-C1'-N19 110.788 3.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.503 ' H73' HG22 ' A' ' 24' ' ' THR . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.737 1 O4'-C1'-N19 112.749 6.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.806 1 O4'-C1'-N19 111.573 4.716 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 3 O4'-C1'-N19 113.858 7.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.179 2 O4'-C1'-N19 111.763 4.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.41 2 O4'-C1'-N19 114.725 8.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 112.095 5.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 2 O4'-C1'-N19 112.182 5.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.144 0 P-O3'-C3' 122.595 2.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.0 m120 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 111.399 0.148 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -136.47 163.91 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 124.735 1.214 . . . . 0.0 110.77 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 105.32 4.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 126.581 1.952 . . . . 0.0 105.918 173.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 t -47.6 127.6 11.6 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 126.282 1.833 . . . . 0.0 112.362 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -61.51 -46.9 88.04 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.855 0.462 . . . . 0.0 111.079 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.13 -30.8 69.52 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.602 1.561 . . . . 0.0 113.112 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 p -142.43 -26.16 0.63 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.51 -45.72 1.27 Allowed Glycine 0 C--N 1.34 0.752 0 C-N-CA 124.657 1.123 . . . . 0.0 111.268 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.29 135.33 49.97 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.656 0.782 . . . . 0.0 111.567 -174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -78.08 -164.72 0.56 Allowed 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.863 1.665 . . . . 0.0 111.175 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.08 -57.9 3.6 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 125.515 1.531 . . . . 0.0 110.932 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -101.22 171.29 7.7 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.569 1.548 . . . . 0.0 110.434 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.9 p -118.48 -175.95 2.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.15 1.38 . . . . 0.0 108.787 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.77 -40.7 55.63 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.734 1.214 . . . . 0.0 112.913 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -65.4 -46.28 80.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.788 0.435 . . . . 0.0 111.75 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -73.55 -17.74 61.16 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.002 0.521 . . . . 0.0 111.18 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -79.63 98.25 6.85 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 122.548 0.339 . . . . 0.0 110.517 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -85.99 59.58 5.72 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 175.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.18 163.17 33.5 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.542 1.537 . . . . 0.0 109.516 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -58.63 101.57 0.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.038 3.158 . . . . 0.0 111.647 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.5 ptt-85 -91.75 177.45 6.19 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.798 0.839 . . . . 0.0 111.763 -176.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.55 150.52 22.39 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 126.772 2.029 . . . . 0.0 106.853 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -89.38 -54.37 4.12 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.83 -150.35 12.04 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.188 1.375 . . . . 0.0 113.398 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 46' ' ' MET . 9.5 t -59.81 125.42 23.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.699 1.199 . . . . 0.0 110.886 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -64.89 -44.4 89.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.164 0.586 . . . . 0.0 111.135 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -73.5 -76.54 0.12 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.835 0.854 . . . . 0.0 110.884 -174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.0 p -66.28 -40.72 90.28 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.248 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 115.3 -21.67 12.85 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 119.213 0.915 . . . . 0.0 114.071 174.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -80.22 145.42 32.25 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.443 1.097 . . . . 0.0 111.083 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.65 179.17 5.35 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.3 1.04 . . . . 0.0 112.733 -175.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.89 -39.26 3.05 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -174.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -119.14 148.81 42.67 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 126.239 1.816 . . . . 0.0 109.96 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.65 175.75 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.192 1.397 . . . . 0.0 108.051 174.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.473 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 16.0 tmm? -62.58 -39.13 92.72 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.725 0.81 . . . . 0.0 112.377 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -61.53 -42.75 99.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.205 1.002 . . . . 0.0 110.698 174.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -71.76 -46.0 59.87 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 125.063 1.345 . . . . 0.0 112.15 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 t -37.26 139.14 0.26 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.303 2.641 . . . . 0.0 114.923 -174.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 t -139.08 42.08 2.09 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.724 1.21 . . . . 0.0 110.063 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -79.79 -103.89 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -155.93 56.98 0.6 Allowed 'General case' 0 C--N 1.338 0.077 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -61.94 -43.78 98.14 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.672 -174.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.24 66.92 8.05 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 116.967 -1.492 . . . . 0.0 110.978 -174.802 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.096 3 C4'-C3'-C2' 95.539 -7.661 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.011 1 C4'-C3'-C2' 98.194 -5.006 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 1 O4'-C1'-N19 113.425 7.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.768 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.234 0 O4'-C1'-N19 110.334 3.168 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 P-O3'-C3' 122.721 2.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 3 O4'-C1'-N19 112.561 5.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.294 0 N19-C1'-C2' 119.793 3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.292 2 O4'-C1'-N19 114.827 8.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 2 O4'-C1'-N19 119.185 14.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.394 1 O4'-C1'-N19 114.53 8.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 P-O3'-C3' 123.109 2.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.8 0 P-O3'-C3' 123.298 2.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.23 0 P-O3'-C3' 122.614 2.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -163.69 103.41 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.978 1.311 . . . . 0.0 107.667 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -59.73 120.09 8.86 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 111.994 -174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.6 t -72.15 125.33 27.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.013 1.325 . . . . 0.0 109.87 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -57.72 -45.79 85.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.777 0.717 . . . . 0.0 111.727 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -61.21 -60.54 3.6 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.768 1.227 . . . . 0.0 113.37 -174.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.59 -25.54 13.54 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -174.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.74 -47.84 1.02 Allowed Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.577 1.084 . . . . 0.0 111.251 -177.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -53.92 133.49 43.03 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.038 1.335 . . . . 0.0 112.557 -174.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -74.01 -176.79 2.64 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.906 2.082 . . . . 0.0 112.808 -174.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -55.73 4.08 Favored Glycine 0 C--N 1.34 0.787 0 C-N-CA 124.956 1.265 . . . . 0.0 110.801 175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -106.59 164.47 12.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.261 1.424 . . . . 0.0 108.565 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 p -110.87 176.62 4.96 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.813 0.845 . . . . 0.0 110.835 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.34 -51.81 24.47 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 125.86 1.664 . . . . 0.0 112.622 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -31.43 68.87 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -95.99 -0.5 50.52 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.9 1.28 . . . . 0.0 112.342 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -68.11 120.57 14.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.155 0.582 . . . . 0.0 110.658 -175.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -82.01 64.41 6.68 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.01 159.75 21.8 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 125.541 1.537 . . . . 0.0 107.864 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -58.67 141.9 98.04 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.363 2.708 . . . . 0.0 110.674 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -175.65 4.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.642 0.777 . . . . 0.0 110.524 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -88.95 175.86 7.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.302 1.441 . . . . 0.0 112.635 -174.258 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -102.82 -69.19 0.8 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.63 1.172 . . . . 0.0 109.829 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.56 -151.94 28.01 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.541 1.067 . . . . 0.0 112.446 -174.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.2 t -52.45 133.29 35.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.745 1.218 . . . . 0.0 110.737 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -65.24 -55.79 16.47 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 122.617 0.367 . . . . 0.0 111.498 -174.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -77.6 -70.22 0.49 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.35 0.26 . . . . 0.0 111.201 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -29.46 70.53 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.41 -41.58 2.12 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 118.855 0.752 . . . . 0.0 113.745 174.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -56.01 129.64 40.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.631 0.772 . . . . 0.0 112.955 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.22 -179.0 7.11 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 124.445 1.098 . . . . 0.0 112.63 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.73 -0.86 85.32 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.036 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -165.31 162.52 19.76 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.266 1.427 . . . . 0.0 108.634 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.91 163.64 12.2 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.625 0.77 . . . . 0.0 110.609 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.0 ttp -50.79 -45.24 59.11 Favored 'General case' 0 N--CA 1.461 0.097 0 C-N-CA 125.741 1.616 . . . . 0.0 111.02 175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -49.0 -65.9 0.49 Allowed 'General case' 0 N--CA 1.434 -1.226 0 C-N-CA 126.738 2.015 . . . . 0.0 110.597 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -49.98 -49.15 51.47 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 127.075 2.15 . . . . 0.0 112.56 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 141.99 56.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.461 1.504 . . . . 0.0 113.715 -174.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 t -125.4 25.59 7.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.713 1.605 . . . . 0.0 109.344 174.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -69.72 -81.26 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.327 1.451 . . . . 0.0 109.371 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -131.82 71.43 1.47 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.714 1.206 . . . . 0.0 109.32 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -72.47 -79.98 0.07 Allowed 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.86 49.5 1.83 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.574 0.75 . . . . 0.0 110.239 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.254 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.639 0 O4'-C1'-N19 110.823 3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.759 3 O4'-C1'-N19 113.458 7.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.612 1 O4'-C1'-N19 112.513 5.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.653 0 O4'-C1'-N19 109.93 2.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.605 1 O4'-C1'-N19 112.523 5.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 O4'-C4'-C3' 108.99 3.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 1 C4'-C3'-C2' 98.304 -4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 3 O4'-C1'-N19 112.825 6.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.664 2 O4'-C1'-N19 114.899 8.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 1 O4'-C1'-N19 111.529 4.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 0 O4'-C1'-N19 110.849 3.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.365 4.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.867 0 P-O3'-C3' 123.102 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.1 m120 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -147.0 157.06 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.81 1.244 . . . . 0.0 110.143 -174.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -124.79 116.22 21.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.514 1.926 . . . . 0.0 106.153 173.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -66.63 126.27 28.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 123.945 0.898 . . . . 0.0 111.731 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -64.53 -42.65 95.6 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.275 0.489 . . . . 0.0 109.822 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -74.07 -0.43 16.49 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 p -158.71 -29.91 0.07 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 120.187 1.358 . . . . 0.0 113.407 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.48 -43.46 1.68 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.001 1.286 . . . . 0.0 111.193 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -56.73 135.59 55.24 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.257 0.623 . . . . 0.0 110.916 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.31 178.22 8.44 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.725 1.21 . . . . 0.0 112.494 -174.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.42 85.11 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.487 1.041 . . . . 0.0 113.106 176.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -157.42 162.95 39.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.152 0.976 . . . . 0.0 109.769 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.0 p -105.02 -177.74 3.45 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.549 1.14 . . . . 0.0 111.598 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.67 69.98 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.896 1.678 . . . . 0.0 112.804 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -72.92 -38.92 66.7 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.801 0.728 . . . . 0.0 111.12 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.02 -38.38 73.06 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.944 1.298 . . . . 0.0 110.863 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 t -47.91 129.71 14.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.48 1.512 . . . . 0.0 112.92 -176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -82.58 62.12 6.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.885 0.874 . . . . 0.0 109.312 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.01 144.05 12.65 Favored Pre-proline 0 N--CA 1.454 -0.233 0 C-N-CA 126.486 1.914 . . . . 0.0 106.094 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -51.66 140.92 45.04 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.569 2.846 . . . . 0.0 110.736 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 154.05 20.38 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-O 121.385 0.612 . . . . 0.0 109.802 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -89.32 130.73 35.66 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.81 1.644 . . . . 0.0 108.62 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -89.16 -40.09 13.13 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.459 1.104 . . . . 0.0 109.442 -174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.59 -160.8 6.54 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 123.619 0.628 . . . . 0.0 112.138 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.0 t -72.68 121.89 20.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.03 0.932 . . . . 0.0 110.453 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.9 m0 -61.45 -51.1 70.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.666 0.387 . . . . 0.0 111.942 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -65.65 -74.26 0.11 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.414 0.686 . . . . 0.0 111.904 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -20.99 55.61 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.21 -40.97 2.24 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 119.179 0.899 . . . . 0.0 111.526 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -50.83 131.53 26.28 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.47 1.108 . . . . 0.0 111.992 -174.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.62 -178.56 4.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.628 1.171 . . . . 0.0 112.351 -175.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.8 6.19 86.95 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.03 -174.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -165.69 148.12 7.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.278 1.431 . . . . 0.0 108.217 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -84.06 169.73 14.62 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.377 0.671 . . . . 0.0 109.829 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -60.55 -43.3 97.38 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.73 0.812 . . . . 0.0 109.761 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -54.83 15.19 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 126.724 2.01 . . . . 0.0 110.585 173.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.2 -44.46 95.3 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.617 1.567 . . . . 0.0 112.171 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 t -44.29 140.43 2.22 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 126.77 2.028 . . . . 0.0 114.883 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.6 p -108.7 -20.34 13.11 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.71 1.604 . . . . 0.0 111.57 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.64 -73.68 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.715 1.606 . . . . 0.0 111.073 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -158.21 100.95 1.71 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.418 1.887 . . . . 0.0 106.67 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.95 -170.92 2.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.702 0.801 . . . . 0.0 110.922 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -154.61 -36.26 0.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.314 1.045 . . . . 0.0 111.746 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t30 . . . . . 0 C--O 1.25 1.104 0 C-N-CA 125.315 1.446 . . . . 0.0 109.128 -174.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.658 1 O4'-C1'-C2' 101.452 -4.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.654 0 O4'-C1'-N19 109.94 2.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-C2' 101.963 -3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.838 0 P-O3'-C3' 123.343 3.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 1 O4'-C1'-N19 112.751 6.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 1 O4'-C1'-N19 111.353 4.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.84 5.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 P-O3'-C3' 123.194 2.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.429 4 O4'-C1'-N19 115.737 9.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 119.444 14.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.257 1 O4'-C1'-N19 113.17 6.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.572 1 O4'-C1'-N19 113.112 6.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.301 1 O4'-C1'-N19 114.309 8.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 0 P-O3'-C3' 122.447 2.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.3 p -155.15 147.28 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.655 1.182 . . . . 0.0 108.234 -174.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 110.21 19.66 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.399 1.08 . . . . 0.0 108.467 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.0 t -53.48 117.88 3.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.209 1.404 . . . . 0.0 112.91 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 42.9 m-85 -53.55 -39.74 64.98 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.153 0.581 . . . . 0.0 111.624 174.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -77.01 4.48 9.98 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -174.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.4 p -160.54 -48.84 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.006 1.275 . . . . 0.0 112.46 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.79 -35.9 3.15 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.098 1.332 . . . . 0.0 111.282 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -63.69 141.35 58.8 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 117.49 0.645 . . . . 0.0 110.438 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -85.99 -165.57 1.28 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.879 0.872 . . . . 0.0 111.693 -174.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.91 -5.55 17.4 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.945 1.259 . . . . 0.0 113.893 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -155.58 165.27 37.08 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 119.012 1.406 . . . . 0.0 112.566 -174.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.5 p -110.52 170.64 7.95 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 125.294 1.438 . . . . 0.0 111.729 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.54 52.42 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.365 1.466 . . . . 0.0 112.224 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -65.11 -42.55 93.86 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.454 1.101 . . . . 0.0 111.575 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.6 -31.88 57.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.563 1.145 . . . . 0.0 111.253 -176.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.2 t -52.29 122.26 8.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.352 1.061 . . . . 0.0 113.216 -174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -84.79 61.76 6.99 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.474 1.11 . . . . 0.0 108.416 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.49 157.03 36.86 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 125.163 1.385 . . . . 0.0 108.822 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.98 122.57 11.94 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.429 2.753 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 154.43 20.19 Favored 'General case' 0 C--N 1.339 0.122 0 CA-C-O 121.26 0.552 . . . . 0.0 109.923 -176.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -89.59 178.82 6.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.898 1.279 . . . . 0.0 111.303 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -125.5 -56.69 1.5 Allowed 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.595 1.558 . . . . 0.0 108.491 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.95 -170.46 13.76 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.462 1.03 . . . . 0.0 112.336 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.6 t -59.43 129.78 43.66 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.153 0.581 . . . . 0.0 111.477 -174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.404 ' CZ3' ' CD2' ' A' ' 16' ' ' PHE . 8.0 m0 -68.26 -50.39 54.11 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.813 0.845 . . . . 0.0 110.972 175.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -63.62 -72.29 0.14 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.915 0.886 . . . . 0.0 111.682 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 17.6 p -75.25 -28.41 59.83 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.07 -40.33 2.49 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 118.367 0.531 . . . . 0.0 111.852 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -58.91 141.81 52.5 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.717 0.807 . . . . 0.0 111.698 -174.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -98.59 -172.52 2.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.142 0.977 . . . . 0.0 110.88 -175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.17 3.06 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -118.36 151.82 37.0 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 126.531 1.933 . . . . 0.0 108.86 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -98.38 174.2 6.6 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 124.065 0.946 . . . . 0.0 109.058 174.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.09 -44.45 95.7 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.505 0.722 . . . . 0.0 111.73 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -52.49 -42.61 64.44 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.362 0.665 . . . . 0.0 110.877 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -72.19 -46.38 56.48 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.14 1.376 . . . . 0.0 112.17 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 t -41.85 140.6 0.99 Allowed 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 128.173 2.589 . . . . 0.0 114.957 -173.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 77.0 p -124.91 -2.07 7.78 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.606 1.563 . . . . 0.0 112.081 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -51.93 -77.22 0.02 OUTLIER 'General case' 0 C--N 1.342 0.279 0 C-N-CA 125.28 1.432 . . . . 0.0 111.162 -174.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -145.96 77.44 1.49 Allowed 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.654 1.182 . . . . 0.0 108.834 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -74.23 -39.91 62.75 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.048 0.539 . . . . 0.0 109.927 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.03 102.95 4.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 174.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.497 -1.239 . . . . 0.0 110.441 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.577 0 N19-C1'-C2' 118.376 2.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 0 O4'-C1'-N19 109.732 2.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 1 O4'-C1'-N19 113.818 7.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 P-O3'-C3' 122.561 2.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.439 1 O4'-C1'-N19 112.211 5.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.038 0 O4'-C1'-N19 110.841 3.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 1 C4'-C3'-C2' 97.402 -5.798 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.162 0 N19-C1'-C2' 119.349 3.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 1 O4'-C1'-N19 114.931 8.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.187 2 O4'-C1'-N19 118.314 13.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.619 1 O4'-C1'-N19 112.303 5.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.463 0 P-O3'-C3' 124.132 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.798 1 O4'-C1'-N19 112.807 6.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 1 P-O3'-C3' 127.365 6.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 120.539 0.209 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.3 m -120.09 172.84 6.65 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 C-N-CA 125.483 1.513 . . . . 0.0 110.372 -175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -145.09 94.17 2.49 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 127.471 2.308 . . . . 0.0 105.389 173.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.0 t -39.48 126.98 1.87 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.953 2.101 . . . . 0.0 114.118 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -59.32 -45.42 91.37 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.16 0.584 . . . . 0.0 110.905 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -77.8 -1.31 30.84 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -173.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -155.45 -30.33 0.1 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 120.382 1.446 . . . . 0.0 113.924 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.46 -42.23 2.01 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.701 1.143 . . . . 0.0 111.579 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -59.44 141.96 53.49 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 117.517 0.659 . . . . 0.0 111.156 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -77.68 179.5 6.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.798 1.639 . . . . 0.0 113.952 -174.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.71 -47.56 3.74 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.055 1.312 . . . . 0.0 111.968 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -114.76 165.62 12.62 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.048 1.339 . . . . 0.0 111.181 -174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.6 p -117.73 -175.55 2.85 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.429 1.092 . . . . 0.0 111.673 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -43.44 72.87 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.195 1.798 . . . . 0.0 113.158 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -64.62 -44.03 91.82 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.636 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -73.45 -26.22 60.83 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.483 1.113 . . . . 0.0 112.731 -175.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 t -44.7 -40.07 5.65 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 116.747 2.128 . . . . 0.0 116.747 -174.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 47.99 55.19 8.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.732 1.213 . . . . 0.0 110.713 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.04 155.99 72.57 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 126.579 1.952 . . . . 0.0 106.509 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -54.71 125.62 19.67 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.545 2.163 . . . . 0.0 109.341 176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -89.17 167.32 13.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.414 0.686 . . . . 0.0 110.86 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -89.26 -176.3 5.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.797 0.839 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -50.35 0.72 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.646 1.578 . . . . 0.0 107.769 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.8 -173.72 11.73 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.069 0.842 . . . . 0.0 112.51 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 17.7 t -64.92 125.36 24.61 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.193 0.997 . . . . 0.0 111.62 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -68.04 -53.05 28.63 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 125.113 1.365 . . . . 0.0 111.078 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -66.56 -69.76 0.29 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.785 0.834 . . . . 0.0 111.981 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -30.27 54.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -174.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 -43.31 1.75 Allowed Glycine 0 C--N 1.341 0.848 0 CA-C-N 118.956 0.798 . . . . 0.0 113.183 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -55.25 139.08 43.56 Favored 'General case' 0 C--N 1.341 0.202 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -174.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.18 -172.59 2.85 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.563 1.145 . . . . 0.0 111.091 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.02 4.65 72.98 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.653 0.644 . . . . 0.0 111.931 -174.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -166.16 146.96 6.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.575 1.55 . . . . 0.0 108.046 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -86.33 170.12 12.33 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.85 -41.89 96.76 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.834 0.853 . . . . 0.0 110.149 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.65 -45.02 63.2 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.134 0.974 . . . . 0.0 110.788 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -75.41 -44.51 44.19 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.523 1.529 . . . . 0.0 111.867 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.5 t -38.75 141.35 0.28 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 128.594 2.758 . . . . 0.0 116.593 -173.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.3 p -135.82 41.21 2.71 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.776 1.631 . . . . 0.0 110.563 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -82.89 -83.67 0.13 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 174.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.3 mtm105 -142.8 84.34 1.84 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 174.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -62.42 125.6 24.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.698 0.799 . . . . 0.0 110.397 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.15 28.15 17.69 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.012 1.325 . . . . 0.0 112.364 -174.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 125.689 1.596 . . . . 0.0 110.803 -179.629 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.988 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.216 2 O4'-C1'-N19 111.871 5.089 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.609 1 O4'-C1'-N19 113.311 6.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 0 O4'-C1'-N19 110.915 3.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.021 1 O4'-C1'-N19 112.213 5.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 0 O4'-C4'-C3' 108.661 3.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 1 C4'-C3'-C2' 97.971 -5.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 N19-C1'-C2' 120.209 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.482 2 O4'-C1'-N19 114.807 8.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 3 O4'-C1'-N19 119.319 14.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.419 1 O4'-C1'-N19 115.413 9.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 0 P-O3'-C3' 123.808 3.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.008 0 P-O3'-C3' 122.502 2.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.6 m -141.02 179.37 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 125.115 1.366 . . . . 0.0 110.635 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.61 101.79 3.72 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 127.076 2.151 . . . . 0.0 105.666 173.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.25 126.49 14.93 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.492 1.517 . . . . 0.0 112.237 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.89 -45.7 86.01 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.842 0.457 . . . . 0.0 110.825 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.01 -23.91 63.21 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 p -144.62 -17.2 0.54 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 120.155 1.343 . . . . 0.0 114.53 -174.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.33 -39.08 2.87 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.715 1.15 . . . . 0.0 111.92 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -59.61 143.17 51.19 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.392 0.677 . . . . 0.0 111.308 -174.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -80.07 -165.37 0.82 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.886 0.875 . . . . 0.0 111.114 -175.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.78 -51.88 3.49 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.867 1.223 . . . . 0.0 111.79 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 48.3 p-80 -118.88 172.05 7.8 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.479 1.512 . . . . 0.0 112.325 -174.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.8 p -117.23 -178.53 3.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.63 1.572 . . . . 0.0 110.379 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.34 -46.03 25.18 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.691 1.996 . . . . 0.0 113.22 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptt-85 -61.93 -55.01 34.0 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.474 1.11 . . . . 0.0 112.833 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 15.9 t-20 -56.82 -46.02 81.91 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.417 0.553 . . . . 0.0 111.065 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.5 t -33.94 107.57 0.05 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.004 1.722 . . . . 0.0 113.826 -174.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -82.56 60.97 5.45 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.29 155.86 50.11 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 126.545 1.938 . . . . 0.0 106.592 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -54.84 129.78 37.01 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.135 2.556 . . . . 0.0 109.345 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.4 150.28 22.6 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.565 0.697 . . . . 0.0 109.143 -175.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -89.12 132.18 34.93 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.991 1.716 . . . . 0.0 109.512 -173.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.21 -49.76 6.54 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.192 0.997 . . . . 0.0 109.38 -174.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.63 -168.48 7.68 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.949 0.785 . . . . 0.0 112.911 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.27 124.21 22.05 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.206 1.003 . . . . 0.0 111.394 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -68.11 -55.37 12.68 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.694 1.197 . . . . 0.0 110.918 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -68.66 -70.83 0.24 Allowed 'General case' 0 C--N 1.34 0.177 0 CA-C-N 118.041 0.382 . . . . 0.0 111.316 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -28.04 67.39 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.1 -41.83 2.04 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 118.797 0.726 . . . . 0.0 112.504 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.36 130.24 45.16 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 123.608 0.763 . . . . 0.0 110.982 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.57 -172.26 3.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.158 0.583 . . . . 0.0 111.725 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.42 -38.2 3.24 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -174.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -123.53 153.14 41.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.265 1.826 . . . . 0.0 109.028 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -87.51 170.63 11.17 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.28 1.032 . . . . 0.0 109.364 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 41.8 ttp -63.26 -34.47 77.75 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.652 0.781 . . . . 0.0 110.318 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -59.5 -50.08 75.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.96 0.904 . . . . 0.0 109.987 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -66.93 -43.78 82.38 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.25 1.42 . . . . 0.0 111.792 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 t -31.35 129.99 0.13 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 128.705 2.802 . . . . 0.0 115.578 -174.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.0 p -113.5 -5.48 13.47 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.317 1.847 . . . . 0.0 110.459 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -72.85 -81.64 0.06 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 124.77 1.228 . . . . 0.0 110.562 -174.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.33 80.58 0.19 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.532 1.533 . . . . 0.0 109.404 -174.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 50.12 67.86 0.84 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.365 1.466 . . . . 0.0 110.497 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.08 68.46 3.23 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.113 0.965 . . . . 0.0 110.376 -177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.474 1.509 . . . . 0.0 107.441 -179.414 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.728 0 O4'-C1'-N19 110.252 3.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 1 O4'-C1'-N19 113.582 7.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.744 1 O4'-C1'-N19 112.09 5.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 1 O4'-C1'-N19 111.276 4.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 1 O4'-C1'-N19 113.026 6.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.901 0 N19-C1'-C2' 119.729 3.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.733 1 O4'-C1'-N19 114.127 7.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.1 2 O4'-C1'-N19 114.274 8.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 2 O4'-C1'-N19 117.882 12.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.483 1 O4'-C1'-N19 111.614 4.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.53 1 O4'-C1'-N19 111.178 4.223 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 0 P-O3'-C3' 123.451 3.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.077 0 P-O3'-C3' 123.305 3.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p30 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.496 0.189 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.87 176.62 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 125.67 1.588 . . . . 0.0 109.255 -174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.41 116.78 11.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 125.916 1.686 . . . . 0.0 107.443 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -64.77 115.52 5.38 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.349 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ3' ' A' ' 37' ' ' TRP . 19.7 m-85 -56.16 -39.19 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.655 0.782 . . . . 0.0 110.286 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -79.29 -0.24 31.56 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.769 1.628 . . . . 0.0 114.108 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -159.08 -37.73 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 120.405 1.457 . . . . 0.0 113.576 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.67 -32.48 5.5 Favored Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.383 1.468 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.57 144.27 54.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 117.891 0.845 . . . . 0.0 110.266 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -81.62 -166.49 1.21 Allowed 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.511 1.124 . . . . 0.0 110.817 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.45 -52.36 3.07 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.1 1.334 . . . . 0.0 112.236 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -115.02 167.42 10.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.231 1.412 . . . . 0.0 111.907 -174.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -113.87 180.0 3.8 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.618 1.167 . . . . 0.0 111.541 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.31 -51.28 14.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.159 1.784 . . . . 0.0 112.918 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -61.37 -43.98 97.94 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.568 0.347 . . . . 0.0 111.44 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -66.59 -36.41 82.56 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.11 0.964 . . . . 0.0 111.548 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -51.98 128.65 24.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.416 1.087 . . . . 0.0 113.025 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -84.18 66.89 9.53 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.9 157.72 33.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.075 1.35 . . . . 0.0 108.404 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.99 127.86 28.12 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.615 2.877 . . . . 0.0 110.13 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -89.2 124.44 34.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.966 0.889 . . . . 0.0 109.74 -174.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -89.77 112.38 23.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 127.068 2.147 . . . . 0.0 107.156 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -89.81 -30.14 18.17 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.216 1.007 . . . . 0.0 113.125 -174.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.48 -131.45 0.03 OUTLIER Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.761 1.648 . . . . 0.0 114.119 -174.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.2 102.14 14.66 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.252 -0.558 . . . . 0.0 110.194 176.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.46 ' CH2' ' C8 ' ' B' ' 107' ' ' ' DG' . 4.1 m0 -58.97 -35.93 73.99 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -68.17 -77.7 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.378 0.671 . . . . 0.0 111.388 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -40.0 34.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 118.379 -0.82 . . . . 0.0 112.442 -175.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.1 -47.39 0.97 Allowed Glycine 0 CA--C 1.532 1.097 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 174.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -55.06 139.12 42.42 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.514 1.157 . . . . 0.0 113.366 -174.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.59 -170.94 1.9 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.255 1.022 . . . . 0.0 110.737 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.59 -44.24 2.75 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 108.808 -1.717 . . . . 0.0 108.808 -174.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -115.11 153.71 30.26 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.94 2.096 . . . . 0.0 108.294 174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.45 ' NE2' " H3'" ' B' ' 107' ' ' ' DG' . 90.9 mt-30 -82.25 172.1 13.51 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.544 0.338 . . . . 0.0 110.902 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -59.54 -46.19 89.59 Favored 'General case' 0 C--O 1.226 -0.144 0 O-C-N 121.418 -0.801 . . . . 0.0 110.947 174.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -48.78 -61.37 2.08 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.651 1.981 . . . . 0.0 111.247 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -50.49 -51.46 47.1 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.441 2.696 . . . . 0.0 112.993 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 t -31.34 131.23 0.11 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.592 2.357 . . . . 0.0 116.7 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.3 p -121.04 7.79 10.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.889 1.676 . . . . 0.0 112.556 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -52.65 -73.29 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.301 1.441 . . . . 0.0 109.445 176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -176.36 65.18 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.754 2.422 . . . . 0.0 106.629 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -63.07 101.42 0.28 Allowed 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.834 1.654 . . . . 0.0 108.993 -175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 58.55 47.57 13.18 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.517 1.127 . . . . 0.0 109.907 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.172 0 CA-C-O 116.378 -1.772 . . . . 0.0 109.347 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.271 1 O4'-C1'-N19 114.283 8.104 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C4'-C3' 107.751 2.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.843 1 O4'-C1'-N19 113.22 6.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.964 0 P-O3'-C3' 123.414 3.095 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.98 1 O4'-C1'-N19 113.037 6.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.071 0 N19-C1'-C2' 120.495 3.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.46 ' C8 ' ' CH2' ' A' ' 37' ' ' TRP . . . . . . . . 0 C5'--C4' 1.535 3.011 2 O4'-C1'-N19 113.134 6.667 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.584 ' C6 ' ' H73' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.591 1 O4'-C1'-N19 111.2 4.25 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.584 ' H73' ' C6 ' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.528 2.104 1 O4'-C1'-N19 113.024 6.529 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.026 1 O4'-C1'-N19 116.521 10.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.796 1 O4'-C1'-N19 115.257 9.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.621 0 O4'-C1'-N19 109.763 2.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.598 0 O4'-C1'-N19 110.403 3.254 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.08 0 P-O3'-C3' 122.605 2.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 p -95.6 108.38 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.505 0.722 . . . . 0.0 111.658 -175.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -57.15 115.26 2.55 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.959 0.903 . . . . 0.0 110.676 174.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.95 134.01 46.86 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.673 0.789 . . . . 0.0 111.113 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -66.91 -49.46 65.48 Favored 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.282 0.492 . . . . 0.0 110.294 174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -69.42 -2.65 11.61 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -174.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.5 p -155.2 -31.13 0.1 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.023 1.283 . . . . 0.0 113.235 174.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.4 -44.78 1.42 Allowed Glycine 0 C--N 1.34 0.796 0 C-N-CA 124.11 0.862 . . . . 0.0 111.822 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -58.89 150.34 24.46 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -79.07 179.86 7.1 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.34 -1.755 . . . . 0.0 111.672 -174.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.74 -51.5 4.11 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.262 0.934 . . . . 0.0 112.07 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 46.3 p-80 -112.05 164.51 13.07 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.408 1.083 . . . . 0.0 112.155 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 p -101.22 176.03 5.39 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.837 1.655 . . . . 0.0 110.895 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.49 -50.59 40.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 125.512 1.525 . . . . 0.0 111.823 174.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -68.36 -30.81 69.85 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.51 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 9.1 t30 -70.83 -48.47 53.85 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 118.289 0.495 . . . . 0.0 110.423 175.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -26.0 117.28 0.07 Allowed 'General case' 0 C--N 1.341 0.209 0 C-N-CA 127.606 2.362 . . . . 0.0 114.909 -174.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -81.75 61.9 5.32 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.296 1.038 . . . . 0.0 109.325 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.15 22.22 Favored Pre-proline 0 N--CA 1.454 -0.227 0 C-N-CA 126.51 1.924 . . . . 0.0 106.469 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.4 130.08 38.18 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.363 2.709 . . . . 0.0 111.364 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.26 151.55 22.06 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -89.51 170.98 10.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.615 1.166 . . . . 0.0 108.019 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -117.35 -46.71 2.68 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.776 0.83 . . . . 0.0 110.685 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.36 -176.71 48.68 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.16 0.886 . . . . 0.0 112.191 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.6 t -40.19 120.55 1.21 Allowed 'General case' 0 C--N 1.344 0.336 0 C-N-CA 126.187 1.795 . . . . 0.0 112.362 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -62.8 -37.55 87.15 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.321 0.51 . . . . 0.0 112.019 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -81.06 -73.44 0.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.454 0.702 . . . . 0.0 112.674 -174.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.3 p -70.29 -24.92 63.12 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.056 0.843 . . . . 0.0 113.163 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.0 -39.81 2.68 Favored Glycine 0 CA--C 1.528 0.861 0 CA-C-N 118.882 0.765 . . . . 0.0 111.994 176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -56.67 138.0 53.26 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 123.756 0.822 . . . . 0.0 111.923 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.89 -173.93 2.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.439 1.096 . . . . 0.0 111.063 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.24 -41.58 3.07 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -119.6 151.25 38.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 126.488 1.915 . . . . 0.0 108.907 175.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -95.2 174.57 6.99 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 123.252 0.621 . . . . 0.0 109.357 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -62.39 -43.37 98.99 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.804 0.841 . . . . 0.0 112.412 -174.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -58.24 -45.72 87.25 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.691 0.397 . . . . 0.0 110.677 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -66.55 -44.26 82.81 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.162 1.385 . . . . 0.0 112.514 -176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.6 t -29.71 137.17 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 129.586 3.154 . . . . 0.0 116.134 -173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.9 p -106.49 -26.44 11.42 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.54 1.536 . . . . 0.0 109.404 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -63.94 -77.26 0.06 Allowed 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.749 2.019 . . . . 0.0 110.366 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -147.48 106.86 3.9 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 126.273 1.829 . . . . 0.0 106.945 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -77.13 -46.41 23.55 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 126.452 1.901 . . . . 0.0 109.306 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.05 -173.51 1.63 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.9 1.28 . . . . 0.0 111.967 -175.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--O 1.251 1.158 0 C-N-CA 126.653 1.981 . . . . 0.0 112.042 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.709 1 O4'-C1'-N19 111.773 4.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.07 0 C4'-C3'-C2' 99.33 -3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 2 O4'-C1'-N19 115.003 9.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 0 O4'-C1'-N19 110.289 3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 112.69 6.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 N19-C1'-C2' 119.229 3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.561 " H4'" ' H72' ' B' ' 108' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.389 -5.176 2 C4'-C3'-C2' 97.382 -5.818 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.561 ' H72' " H4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.545 4.272 1 O5'-C5'-C4' 116.108 4.22 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 1 O4'-C1'-N19 112.314 5.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.428 2 O4'-C1'-N19 119.725 14.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.517 0 P-O3'-C3' 122.519 2.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 113.055 6.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.216 0 P-O3'-C3' 123.561 3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.992 0 P-O3'-C3' 122.484 2.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.5 m120 . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 119.703 -0.189 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -145.11 164.61 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.97 0.908 . . . . 0.0 111.227 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 111.71 8.75 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.193 2.197 . . . . 0.0 105.753 173.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -57.7 126.9 29.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 124.444 1.098 . . . . 0.0 111.761 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.37 -44.71 95.81 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.168 0.509 . . . . 0.0 110.196 174.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -72.39 -3.77 26.08 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.511 1.524 . . . . 0.0 115.064 -174.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -159.08 -29.55 0.07 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 120.444 1.475 . . . . 0.0 114.014 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.77 -44.41 1.51 Allowed Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.073 1.321 . . . . 0.0 111.418 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.51 135.63 50.55 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.54 0.736 . . . . 0.0 111.183 -174.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -76.58 -178.38 4.69 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.233 1.413 . . . . 0.0 113.327 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.37 -57.35 4.74 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.722 1.153 . . . . 0.0 110.639 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.476 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 43.3 p-80 -97.59 167.3 11.05 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.793 1.237 . . . . 0.0 110.621 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.446 HG22 ' H72' ' B' ' 106' ' ' ' DT' . 48.4 p -117.03 -166.68 1.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.632 1.573 . . . . 0.0 109.459 178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.86 -55.04 39.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HB3' ' C4 ' ' B' ' 109' ' ' ' DT' . 6.8 ptt-85 -52.56 -51.98 57.16 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 123.776 0.83 . . . . 0.0 111.904 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.476 ' HB2' ' HB2' ' A' ' 23' ' ' HIS . 59.2 m-20 -74.81 -1.01 20.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -174.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.0 t -85.2 114.41 22.29 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.641 0.776 . . . . 0.0 109.396 174.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -84.81 62.92 7.72 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.92 157.16 72.08 Favored Pre-proline 0 N--CA 1.454 -0.262 0 C-N-CA 126.721 2.008 . . . . 0.0 107.063 174.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.88 122.33 11.62 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.063 2.508 . . . . 0.0 110.832 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.54 154.35 20.41 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -176.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -89.25 156.75 18.56 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.231 1.013 . . . . 0.0 112.944 -173.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -89.97 -64.16 1.18 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 126.338 1.855 . . . . 0.0 108.572 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.51 -171.99 44.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 124.712 1.149 . . . . 0.0 113.456 -174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.9 t -32.09 114.37 0.14 Allowed 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 128.393 2.677 . . . . 0.0 112.961 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -63.95 -42.57 97.27 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.461 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -76.94 -75.2 0.21 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.737 -174.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -38.34 89.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.886 -0.578 . . . . 0.0 112.405 -175.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.0 -46.89 1.07 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.937 0.779 . . . . 0.0 113.416 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -52.8 135.81 35.0 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.49 1.516 . . . . 0.0 113.436 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -89.29 -169.19 2.41 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.245 0.618 . . . . 0.0 111.216 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.68 1.62 83.72 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -168.33 168.08 11.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.827 2.051 . . . . 0.0 107.721 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.38 166.03 11.67 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 123.293 0.637 . . . . 0.0 110.068 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -50.9 -40.04 55.84 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.478 1.511 . . . . 0.0 111.711 -178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -53.35 -44.67 68.71 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.794 1.238 . . . . 0.0 111.319 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -79.83 -47.05 15.78 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.682 1.993 . . . . 0.0 112.108 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.5 t -22.45 122.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.159 0 C-N-CA 130.105 3.362 . . . . 0.0 114.57 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.9 p -95.28 -13.31 24.95 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.91 1.684 . . . . 0.0 111.189 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.14 -58.62 3.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.742 1.217 . . . . 0.0 109.419 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 58.22 40.56 24.69 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.714 1.606 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -69.75 -24.68 63.57 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.795 1.238 . . . . 0.0 111.474 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.44 52.87 1.02 Allowed 'General case' 0 C--N 1.341 0.239 0 C-N-CA 125.415 1.486 . . . . 0.0 109.73 -174.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 116.305 -1.807 . . . . 0.0 109.635 -174.854 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.15 3 C4'-C3'-C2' 95.597 -7.603 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.511 0 O5'-C5'-C4' 113.126 2.09 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 1 O4'-C1'-N19 111.628 4.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.771 0 O4'-C1'-N19 110.445 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 0 N19-C1'-C2' 119.565 3.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . 0.446 ' H72' HG22 ' A' ' 24' ' ' THR . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.498 " O4'" ' H72' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 P--O5' 1.625 3.242 1 C4'-C3'-C2' 97.696 -5.504 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.498 ' H72' " O4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.249 0 N19-C1'-C2' 118.644 2.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.471 ' C4 ' ' HB3' ' A' ' 26' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.991 1 O4'-C1'-N19 113.633 7.292 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.366 1 O4'-C1'-N19 119.6 14.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 1 O4'-C1'-N19 115.465 9.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 0 O4'-C1'-N19 110.479 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 P-O3'-C3' 122.896 2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.748 0 P-O3'-C3' 122.706 2.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_